smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)cc1 253396638 WOXHWTTYHWFLNZ-UHFFFAOYSA-N 318.304 3.232 5 50 DGBA CCOC(=O)N1[C@H]2CC[C@H]1CC(Nc1ccccc1[N+](=O)[O-])C2 147795417 PWUDSGZDTUJUSB-STQMWFEESA-N 319.361 3.159 5 50 DGBA CCCCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 2849127 KZFVFURQBBOXJA-UHFFFAOYSA-N 306.347 3.041 5 50 DGBA CCCCN(CCCC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] 2990075 QOZVDRKCMONWFJ-OAHLLOKOSA-N 324.421 3.237 5 50 DGBA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 269205506 UDUYWICWCBILKN-ZETOZRRWSA-N 304.346 3.094 5 50 DGBA CC(C)(C)N1CN(C(C)(C)C)CC(c2ccccc2)([N+](=O)[O-])C1 19327414 XWIOOOAOFOVNMK-UHFFFAOYSA-N 319.449 3.331 5 50 DGBA O=C1CCCC[C@@]1(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 167394 RPCBIMQOUODXBX-GOSISDBHSA-N 324.336 3.254 5 50 DGBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])CC2=O 4820983 ISNAEXKEIZRZSW-SJORKVTESA-N 316.357 3.319 5 50 DGBA C[C@@H]1c2ccccc2CCN1c1nc2sccn2c1[N+](=O)[O-] 225448552 GCCBNVFNCQAVCY-SNVBAGLBSA-N 314.370 3.428 5 50 DGBA N=c1c2c(=O)oc3ccccc3c2ccn1CCc1ccco1 1848442945 PMPZCJMDWHHJRQ-UHFFFAOYSA-N 306.321 3.063 5 50 DGBA O=c1oc2ccccc2c(NCc2cccc(F)c2)c1[N+](=O)[O-] 8773060 HVGHXDFPRNYDCQ-UHFFFAOYSA-N 314.272 3.452 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 14256449 HIKQGNWBFYDDOI-UHFFFAOYSA-N 324.333 3.152 5 50 DGBA C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1 670419696 SODMRVVDWQXIAM-MRXNPFEDSA-O 311.449 3.173 5 50 DGBA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 5693306 BIASKZQAUHXFGJ-RKDXNWHRSA-N 304.268 3.227 5 50 DGBA Cc1ccc2nsnc2c1NC(=O)c1ccccc1[N+](=O)[O-] 97629 UXDBCFXOVRXVBK-UHFFFAOYSA-N 314.326 3.160 5 50 DGBA C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 472010 KYWAIBLUSKFSAM-SNVBAGLBSA-N 314.297 3.066 5 50 DGBA O=C1NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 1787746 JVYYPXLIZVPGAD-KPKJPENVSA-N 316.294 3.179 5 50 DGBA CN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 225845584 CEYCKUBSMVORCQ-AEFFLSMTSA-N 311.385 3.130 5 50 DGBA Cc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c1C 1227649 DPUIKMAJAAPJQS-UHFFFAOYSA-N 315.373 3.127 5 50 DGBA Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 4852435 ACTMUWGYMJXIOI-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA Cc1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 4852443 ACTMUWGYMJXIOI-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 5002693 ZFRCPOZUFXIUNT-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA Nc1nc(-c2ccc(F)cc2)nc2c1c(=O)oc1ccccc12 2872905 HRWYETNDRSQROE-UHFFFAOYSA-N 307.284 3.125 5 50 DGBA O=[N+]([O-])c1c(N2CCC3(CCOC3)CC2)ccc2ncccc12 588040194 ROBWAJDZZFYUCF-UHFFFAOYSA-N 313.357 3.150 5 50 DGBA C/C=C1/C[N@@+]2(C)[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 253487463 KRTATNOTKFNEFT-YQACYDQESA-N 309.433 3.169 5 50 DGBA Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 298901 YOPZMASSVRTSOW-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 4844558 WLFAMTLWGNGGBB-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 84262 DXMBISMQWBIYFJ-UHFFFAOYSA-N 320.326 3.085 5 50 DGBA O=C(Nc1ccc2c(c1)CCO2)c1cc(F)c(F)cc1[N+](=O)[O-] 194625603 GQCVPPOLOKSPGB-UHFFFAOYSA-N 320.251 3.060 5 50 DGBA N=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 291797 GNUTXVFOJLIVNE-UHFFFAOYSA-N 306.281 3.364 5 50 DGBA CCCc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 454605 GPNQHBFKSRLSRM-UHFFFAOYSA-N 309.325 3.246 5 50 DGBA C/C=C1\C[N@@+]2(C)CC[C@@]34C(=Nc5c(O)cccc53)/C(=C/O)[C@H]1C[C@H]42 1772493117 KXHTZJQVMGTREI-AUIJGNTJSA-O 323.416 3.357 5 50 DGBA COc1ccc2c(c1)c(=O)oc1cc(OC(=O)C3CC3)ccc12 91093 KXLQSVMVWTXVBR-UHFFFAOYSA-N 310.305 3.270 5 50 DGBA O=c1oc2ccccc2c2ccnc(NCc3cccnc3)c12 1776111790 QBEUTXOCIPSQMM-UHFFFAOYSA-N 303.321 3.348 5 50 DGBA O=C(O)c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 670417732 VPARZMSJIWMKQB-UHFFFAOYSA-N 321.220 3.084 5 50 DGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 452791 MEXPDDWDYZKZJM-CMDGGOBGSA-N 308.337 3.193 5 50 DGBA O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 295705 WJURWESBBCDFET-MRXNPFEDSA-N 314.366 3.369 5 50 DGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1 100496257 LJHFWBALMMCLIK-UHFFFAOYSA-N 318.245 3.023 5 50 DGBA Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 5345080 PRCYJGSEQUCBLA-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1[N+](=O)[O-] 32838 WFUIWMZEJQVANU-UHFFFAOYSA-N 323.352 3.357 5 50 DGBA biogenic,in-vitro COc1ccc(C)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 447753 XDIQEWNOFXRMGO-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA COc1cc(C(=O)NC2CCCCCC2)c([N+](=O)[O-])cc1OC 4677232 DLLXBHUADPQXMA-UHFFFAOYSA-N 322.361 3.065 5 50 DGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1I 32627721 CIDKWMAVWQNYNV-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA in-vitro O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc2c(c1)COC2 253433224 UFWZRIZLKXGGDH-UHFFFAOYSA-N 305.721 3.286 5 50 DGBA CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 95910888 MQOJFWUJXJPYDP-CQSZACIVSA-N 321.377 3.040 5 50 DGBA COc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1 2906121 HMZUJAPHXTUSIS-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 153049431 IIXWDLSPGDZYLR-UHFFFAOYSA-N 309.322 3.166 5 50 DGBA CO[C@@H](C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 164489384 ROZQXUYIKTVLIZ-JTQLQIEISA-N 316.313 3.260 5 50 DGBA C[C@H](NC1CC(N)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 1875340923 ZMFGYYCLPZRZLP-BELGNNRLSA-N 311.385 3.262 5 50 DGBA Cn1c(=O)c(-c2ccccc2N)nc2cc3ccccc3cc21 175746 QUXNTVWUBAEHFV-UHFFFAOYSA-N 301.349 3.336 5 50 DGBA Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 371375 BSCJSIJLHYMUPO-LLVKDONJSA-N 318.304 3.448 5 50 DGBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229636547 VXTVPCLBMPBAPQ-LMOYCYGVSA-N 320.389 3.303 5 50 DGBA O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])o1 438543 SDJZUFQFORLTGO-UHFFFAOYSA-N 311.091 3.203 5 50 DGBA COc1ccc(C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 462228 IXKIESMJNPINCK-UHFFFAOYSA-N 304.346 3.224 5 50 DGBA COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)OCC2 6668143 JZPAUVNVSYPVBB-KRWDZBQOSA-N 315.325 3.274 5 50 DGBA CC(=O)c1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 253422854 DDMJFUIYZGQFDU-CZUORRHYSA-N 306.362 3.413 5 50 DGBA C[C@@H]1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71785301 ZMTHIKDASZJPDG-NXEZZACHSA-N 308.290 3.096 5 50 DGBA O=C(NCCc1ccsc1)c1c(Cl)cccc1[N+](=O)[O-] 171841219 YKZVDDOVCYLHHN-UHFFFAOYSA-N 310.762 3.282 5 50 DGBA COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 4616987 MOZVJBLCIQCAGH-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2ccccc21 5060647 SUYFGGVBNFLYFB-UHFFFAOYSA-N 313.313 3.198 5 50 DGBA O=C(O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 155213 RITAQDHCJBLSSL-UHFFFAOYSA-N 305.673 3.177 5 50 DGBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 445471 NIAYPBPEZFDPNA-JXMROGBWSA-N 308.337 3.193 5 50 DGBA CC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 528901 GZZOKQHEYCKZDB-UHFFFAOYSA-N 315.281 3.133 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 3959665 FZNDNNKXPVZQEN-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=[N+]([O-])c1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1 34571701 FHMVVEJYBMMVDJ-UHFFFAOYSA-N 305.717 3.496 5 50 DGBA COc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] 103416 UXLMVCKFYRAVKH-UHFFFAOYSA-N 312.325 3.196 5 50 DGBA CC(=O)Oc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 454884 JRLFSIIDSNYZKQ-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@H]2CCCO2)CC1 275995265 KCGJBFNIAJABAD-CYBMUJFWSA-N 311.769 3.039 5 50 DGBA COc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC 140307 PCCRDMCQSCHCTK-KRWDZBQOSA-N 313.309 3.455 5 50 DGBA COc1cc(CN2CCC[C@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1O 4988765 JSPMAJLMBMBAHE-KGLIPLIRSA-N 320.389 3.464 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3ccc(F)cc3)CC2)s1 55544073 FWHXEZAFPLDGBT-UHFFFAOYSA-N 321.377 3.118 5 50 DGBA CC(=O)c1ccc(OC[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1 191365329 FKKXZEHMHFLYKM-HNNXBMFYSA-N 307.346 3.117 5 50 DGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cn1 450261 NSSWTFWFXMNALJ-QPJJXVBHSA-N 303.705 3.295 5 50 DGBA CO[C@H]1c2ccccc2OC[C@H]1Sc1ccncc1[N+](=O)[O-] 2325758791 BJMBMVGDPQULRC-CABCVRRESA-N 318.354 3.231 5 50 DGBA CCOc1cc(C=O)ccc1OCc1ccc([N+](=O)[O-])cc1 275901 CUSPYDFKIGWQDR-UHFFFAOYSA-N 301.298 3.385 5 50 DGBA CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 95910889 MQOJFWUJXJPYDP-AWEZNQCLSA-N 321.377 3.040 5 50 DGBA COc1cc2c(cc1O)CC[N+](C)(C)[C@@H]2Cc1ccc(O)cc1 14439259 ZKTMLINFIQCERN-QGZVFWFLSA-O 314.405 3.023 5 50 DGBA endogenous,in-man Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)s1 111103 DKCNKEOFFMTBLU-UHFFFAOYSA-N 312.372 3.074 5 50 DGBA Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 38596 UVAIUHOBLGRLOX-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA Cc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 38892 UYEBZHOSCJOHCT-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(CSC(=S)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 301701 YOUCMXSQVLFGCC-UHFFFAOYSA-N 324.427 3.282 5 50 DGBA Cc1c([N+](=O)[O-])cc(Br)c(O)c1Br 2525185 IPHPHFJJKHXWHH-UHFFFAOYSA-N 310.929 3.134 5 50 DGBA Cc1cc(N2CCC(Cc3cccnc3)CC2)ncc1[N+](=O)[O-] 367482904 ASKZWNYDLIGVCU-UHFFFAOYSA-N 312.373 3.152 5 50 DGBA Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 283345 PTFKVTRZTXIOHQ-XNTDXEJSSA-N 308.293 3.248 5 50 DGBA CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 376600 POCJMMSJBXZOKD-RYUDHWBXSA-N 314.407 3.183 5 50 DGBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 3103927 AORDFKMYJRBNID-UHFFFAOYSA-N 315.285 3.372 5 50 DGBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@@H]2[C@H]2CC[C@H]23)c([N+](=O)[O-])c1 247318476 LCQCZRRBUXXKQU-OGMFBOKVSA-N 304.302 3.064 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(C)cc1 4952757 WQARQVMQDJOISN-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA Cn1ncnc1CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 408513120 RJPGLYSVBKPPPV-UHFFFAOYSA-N 324.344 3.079 5 50 DGBA Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c([N+](=O)[O-])c1 5009668 WALBVUSAHPLUPH-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA CN1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 229844576 AYNPJOQQSDNNEZ-GOSISDBHSA-N 311.385 3.084 5 50 DGBA C[C@H]1COc2ccccc2CN1C(=O)c1csc([N+](=O)[O-])c1 273036136 VREJKAURIMQTHT-JTQLQIEISA-N 318.354 3.080 5 50 DGBA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 225451358 DYFYQZFFFGDEQR-WZRBSPASSA-N 322.361 3.223 5 50 DGBA O=[N+]([O-])c1cc(F)c(Br)c(F)c1Br 263624468 QTUIYUWEKOBLLJ-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA O=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 3150878 JDLCFBRHUOWHRN-KPKJPENVSA-N 316.294 3.179 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)c1nccs1 163250549 RDTOGVKVJHKHDQ-JTQLQIEISA-N 320.374 3.285 5 50 DGBA C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 860045 OKMRBROQHLYMHT-AWEZNQCLSA-N 312.369 3.275 5 50 DGBA COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@@H]3C[N@+]1(C)CC2 247536850 ACFBTUAMHMCOQE-IPZZXCBHSA-N 300.422 3.344 5 50 DGBA O=[N+]([O-])c1c(F)cc(Br)c(Br)c1F 263624684 SOYUTSGUKNIBEV-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA CCOC(=O)c1cc2c(=O)c3cc(Cl)ccc3oc2nc1C 3027706 HMFNAWDNCYJPGP-UHFFFAOYSA-N 317.728 3.480 5 50 DGBA O=[N+]([O-])c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1 174249408 XISLWZITDUZQLV-UHFFFAOYSA-N 313.357 3.033 5 50 DGBA CCCCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 2879481 PZZVNXRJYPJCHT-UHFFFAOYSA-N 320.374 3.350 5 50 DGBA COc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] 4814502 YRGSYNZEQFYDGU-UHFFFAOYSA-N 308.240 3.134 5 50 DGBA CN(Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)ns1 225387569 WTRZYFCBGDMJCU-UHFFFAOYSA-N 318.280 3.102 5 50 DGBA Cc1c(N)c(Br)cc(Br)c1[N+](=O)[O-] 15443862 KJLPPTNJPAJNMQ-UHFFFAOYSA-N 309.945 3.010 5 50 DGBA Cc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 245832 MOFCRSVSBIEORS-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA C[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 471391 LKLHJPHZHDWYHJ-LLVKDONJSA-N 302.305 3.154 5 50 DGBA Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4689083 NTXAUCTXNXLUFE-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 6489666 UOTAAQQPWCVBMV-OAHLLOKOSA-N 320.370 3.024 5 50 DGBA Cc1ccc(NC(=S)NC(=O)c2ccccc2)c([N+](=O)[O-])c1 5094064 OEDPLIXLTQFMLP-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccccc1F 4765296 PCBHBQFRLQABKO-UHFFFAOYSA-N 306.249 3.353 5 50 DGBA CC1(C)CC[C@H](COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 190648216 OIUOXHHQXAXREB-SNVBAGLBSA-N 313.737 3.363 5 50 DGBA Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1[N+](=O)[O-] 130293 DNAQWVCDMRLUOD-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1Cl 115696 LJSZUURUELGKMT-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA COc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4039211 STACQUJUFGWYOT-NSHDSACASA-N 316.313 3.009 5 50 DGBA COc1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 314216 ONSMTXZXWJPXBH-UHFFFAOYSA-N 318.354 3.334 5 50 DGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(Cl)c1 431989 FHDKXSNXCIAHQB-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA O=C(Nc1ccc(F)cc1)OCCOc1ccc([N+](=O)[O-])cc1 1753725 UKTZQKOLUAZBCA-UHFFFAOYSA-N 320.276 3.361 5 50 DGBA Cc1nn(C)cc1/C=C(\Cl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 221974016 VLHRKCMKEIEIRN-WZUFQYTHSA-N 317.736 3.250 5 50 DGBA O=C(Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1O 5049772 BKXMGYIYNNMAHF-UHFFFAOYSA-N 306.705 3.135 5 50 DGBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 612525 YLRRASRXXNRFAQ-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 465721 UCGZHYBEQDTQDD-MDZDMXLPSA-N 308.337 3.193 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 373693 MZIQNAGOCVZMAR-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA O=C(NCCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1 5736603 MBHZVNHVRPGTGR-UHFFFAOYSA-N 300.314 3.064 5 50 DGBA COc1ccc([N+](=O)[O-])cc1[C@@H]1NN=C(c2ccccc2)S1 48927 RODIBCQTFOGQAF-OAHLLOKOSA-N 315.354 3.300 5 50 DGBA CCO[P@](=O)(c1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 301692 VMRMFIBBRJFFHN-IVZQSRNASA-N 321.269 3.226 5 50 DGBA CCOC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4294096 NOTADAJQMSNHKJ-UHFFFAOYSA-N 309.265 3.269 5 50 DGBA CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 4870244 KOQDYJVVHPKPJP-UHFFFAOYSA-N 300.314 3.418 5 50 DGBA C[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] 4907510 MKYOHQSXSJPYTJ-SNVBAGLBSA-N 304.277 3.140 5 50 DGBA O=[N+]([O-])c1ccc2nc(Sc3ccnc(Cl)n3)[nH]c2c1 4086063 TYMDBKZABGZLCQ-UHFFFAOYSA-N 307.722 3.066 5 50 DGBA CCOC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 22995872 SSPMLSDAXABTQC-UHFFFAOYSA-N 312.753 3.028 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 4002025 QJWPGXTWEMHBEK-UHFFFAOYSA-N 301.321 3.061 5 50 DGBA O=[N+]([O-])c1c(F)cc(F)c(Br)c1Br 263623688 JSJZROQVILDOSC-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2sncc2c1 190499103 JXUAXZFGRXVNQE-UHFFFAOYSA-N 314.326 3.039 5 50 DGBA CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 613567 MFUHDDMCSUSJSX-CQSZACIVSA-N 315.354 3.354 5 50 DGBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 615100 KFOGTECIEZPOJC-UHFFFAOYSA-N 316.342 3.276 5 50 DGBA Nc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] 4059579 DSTHFLGOVDPVRF-UHFFFAOYSA-N 300.105 3.017 5 50 DGBA Cc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 3833241 YCGGKFAOTXDDJN-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA Cc1ccc(Cl)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 371288 BEKZXVLANUMHQX-UHFFFAOYSA-N 322.752 3.009 5 50 DGBA O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)c1ccsc1)CCC2 192886481 FEHSHWYPVUQOGN-CVEARBPZSA-N 318.398 3.357 5 50 DGBA Cc1nc2ccc(Cl)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 281746 DXMXUMKRRNPAFD-UHFFFAOYSA-N 315.716 3.256 5 50 DGBA Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C 450959 BUXCBNZPHMTSKW-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA O=C(C1CCC(F)(F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 225521989 SRIBIUCRNOSOEA-UHFFFAOYSA-N 310.300 3.309 5 50 DGBA CC(=O)c1c(C(C)=O)c(C)n(-c2cccc([N+](=O)[O-])c2)c1C 313326 WFYHERCCMRBYKC-UHFFFAOYSA-N 300.314 3.408 5 50 DGBA CCOc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 2986852 AJHMLFLAAIALDO-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 4299729 RJOWDNIWASXXBZ-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl 95850914 LZMONXBJUOXABQ-UHFFFAOYSA-N 316.440 3.371 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2oc1=O 3958823 WFISTBAHXWQBCX-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA biogenic,in-vitro COc1ccc(OC)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 463867 XYFGDSSVTSTQFH-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1Cc1ccccc1 4948502 BZSAEJZNGHWAAN-MRXNPFEDSA-N 309.325 3.176 5 50 DGBA Cc1cc(OCC(=O)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] 620466 KPNWHTYHTQTPFB-UHFFFAOYSA-N 322.267 3.199 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(=O)ccc2c1 408526100 NBXHJOXAFROXGY-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA C[C@H]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 178694 RFNWBFJIRUPYHH-RDJZCZTQSA-N 317.433 3.291 5 50 DGBA Cc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1[N+](=O)[O-] 2550752 OUNRBLHXLAQSBN-UHFFFAOYSA-N 320.374 3.206 5 50 DGBA COc1cc(Cl)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cn1 25668255 WARYIYZDYKOMRG-UHFFFAOYSA-N 323.692 3.263 5 50 DGBA Nc1cc(OCc2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] 253416901 NCHOISKWEOEZSA-UHFFFAOYSA-N 302.334 3.068 5 50 DGBA O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1667262 MJNHSMCHYCVNAZ-ZROIWOOFSA-N 314.253 3.128 5 50 DGBA Cc1c(C(=O)NC(=S)Nc2ccccc2)cccc1[N+](=O)[O-] 456034 WJGSYYRHPYAVCZ-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA CN1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 252523257 CEYCKUBSMVORCQ-FUHWJXTLSA-N 311.385 3.130 5 50 DGBA Cc1conc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 1615056985 OPNVJSYPWYYGOD-CQSZACIVSA-N 301.346 3.002 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 4749246 XPWLATYEEUEKTN-UHFFFAOYSA-N 311.219 3.261 5 50 DGBA CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 4287650 LDTYGQILEXWEFJ-GFCCVEGCSA-N 322.361 3.373 5 50 DGBA O=C(NCCc1c[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 2543470 HYRDPSCBCZDNDV-UHFFFAOYSA-N 309.325 3.049 5 50 DGBA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 185574 DFEUJLWUCFSYFQ-LBPRGKRZSA-N 323.352 3.437 5 50 DGBA biogenic COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] 284773 BVMIVEATNCWVDX-UHFFFAOYSA-N 308.240 3.134 5 50 DGBA CC[C@@H](Sc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 620777 VULGQVCUSZRRMR-CYBMUJFWSA-N 317.370 3.499 5 50 DGBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]4CC[C@H]4[C@@H]23)c([N+](=O)[O-])c1 247318482 LCQCZRRBUXXKQU-URFZWBKFSA-N 304.302 3.064 5 50 DGBA O=C(/N=S(/c1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F 114750788 FDGZEDVNRJTWCL-UHFFFAOYSA-N 306.265 3.007 5 50 DGBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 88669 RKEMYJMNUZMLAS-QGZVFWFLSA-N 309.325 3.292 5 50 DGBA Cn1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 4419897 VMRAASURDJFQAW-MDZDMXLPSA-N 307.309 3.012 5 50 DGBA O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2)CC1 4981028 SOFKVGDWTVWCSW-SOFGYWHQSA-N 323.396 3.430 5 50 DGBA CC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 183294 KTGCEIOCSUOLEF-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 187563 LASNDSHWBVPSLM-QGZVFWFLSA-N 309.325 3.292 5 50 DGBA Cc1ccc(OCCCCN2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 16247632 KXANABLAIKYKPF-GASCZTMLSA-N 322.405 3.171 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1Nc1nc(=O)c2cccnc2s1 614655 MOAHDBATHBRLIN-UHFFFAOYSA-N 314.326 3.012 5 50 DGBA C[C@@]12CC[C@@H](C[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 253596075 MVTPHFKACRPZAF-RJIBLYRGSA-N 320.301 3.239 5 50 DGBA Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 193169 CPCJEFUGDZMWPU-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA O=c1oc(-c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc12 1560945 PYKTWQPMLUHYJL-UHFFFAOYSA-N 302.673 3.417 5 50 DGBA CCC(=O)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4915294 PTIAZSFGTYZTCC-UHFFFAOYSA-N 314.297 3.163 5 50 DGBA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 225460668 GRIKXMGAWMARGW-WZRBSPASSA-N 322.361 3.223 5 50 DGBA Cc1c(Br)cc(Br)c(O)c1[N+](=O)[O-] 261507228 GQVJTLKZTHZMPZ-UHFFFAOYSA-N 310.929 3.134 5 50 DGBA Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-] 613472 HTAWKILCUXVZHX-UHFFFAOYSA-N 315.716 3.256 5 50 DGBA CC[N+](CC)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1 100006839 YQSIDWSTCJNDPD-UHFFFAOYSA-O 318.400 3.480 5 50 DGBA in-vitro C[C@@H]1C[C@H](SC2CCC([N+](=O)[O-])CC2)CC[C@@H]1[N+](=O)[O-] 44126542 LBGFSCJRIVPHOV-IIBVRRFFSA-N 302.396 3.141 5 50 DGBA CCN(CC)CC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1 96024536 SPTIETJWCCCJSE-UHFFFAOYSA-N 308.378 3.120 5 50 DGBA in-vitro Cc1cc([N+](=O)[O-])c(NCCc2ccccc2)c([N+](=O)[O-])c1 3877752 DTRJCTVAUMQBSH-UHFFFAOYSA-N 301.302 3.466 5 50 DGBA CCOC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C 46563 MXFMRWMPMQIOSC-UHFFFAOYSA-N 312.321 3.197 5 50 DGBA O=C(Nc1ccccc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl 186580 BDPWRVRNOLEYQA-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 2058200 SXTHRSDWIHDTCU-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA O=C(Cc1ccccc1[N+](=O)[O-])NCCSC1CCCCC1 2842038 VJUSMFFKINJLSR-UHFFFAOYSA-N 322.430 3.319 5 50 DGBA CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 3833191 JJRRVXYFBDBPKA-UHFFFAOYSA-N 320.370 3.266 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 293681 LWTSHXRYWUUXMO-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 241161284 JZQZFHGAUSFCLY-KYOSRNDESA-N 308.353 3.254 5 50 DGBA Cn1c([N+](=O)[O-])cnc1COc1ccc(Cl)c2cccnc12 121214222 FXOVUAQOVATBGL-UHFFFAOYSA-N 318.720 3.109 5 50 DGBA CCn1cc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1 17054243 DJSLYTIGNVZZSX-SNVBAGLBSA-N 317.349 3.002 5 50 DGBA O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 4175747 RBVKXRSRDUYZNN-JTQLQIEISA-N 302.252 3.009 5 50 DGBA CCc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH]n1 253431810 XOYZWGUIHTYNOY-UHFFFAOYSA-N 309.713 3.178 5 50 DGBA CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 571654 OAKKBHXEKSGNGX-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA O=Cc1cn(-c2ccc(F)cc2)nc1-c1ccc([N+](=O)[O-])cc1 732208 ZHCCGGIUNOEYBB-UHFFFAOYSA-N 311.272 3.399 5 50 DGBA O=C(NC1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5064498 IBLYFIZOIQCRHV-UHFFFAOYSA-N 317.389 3.258 5 50 DGBA COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 433754 YBYHXLFTCJTFBY-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA CC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3877462 NZXMSLNLTAUBHE-UHFFFAOYSA-N 301.258 3.449 5 50 DGBA CCc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 131381 PYYOCPGSWTYANS-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA CC(C)(C)c1ccc(I)c([N+](=O)[O-])c1 36532763 OYQXVYLZVHKLHL-UHFFFAOYSA-N 305.115 3.497 5 50 DGBA CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 408515337 FNUZJSGJXTVNSG-UHFFFAOYSA-N 313.288 3.492 5 50 DGBA O=C(NC1C2CC3CC(C2)CC1C3)c1cccc([N+](=O)[O-])c1 431803 QLSZROHNWXFSKS-UHFFFAOYSA-N 300.358 3.149 5 50 DGBA Cc1ccc(NC(=S)NC(=O)c2cccs2)c([N+](=O)[O-])c1 4104335 CKFMBRVMVDSLCR-UHFFFAOYSA-N 321.383 3.092 5 50 DGBA COc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1 252462361 RTMOHIUWLIAADG-IMFGXOCKSA-N 318.437 3.261 5 50 DGBA biogenic O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 4866203 CRHKVIPKGOHMAA-UHFFFAOYSA-N 308.297 3.033 5 50 DGBA O=C(Nc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 570304 YYWJVFPYUGBZNV-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA CC(C)(C)C(=O)Nc1ccc(Br)c(F)c1[N+](=O)[O-] 95217864 QARADCBYASWAGY-UHFFFAOYSA-N 319.130 3.481 5 50 DGBA in-vitro CSC[C@H](CCO)Nc1ccnc2c1ccc1cccnc12 1875295118 RGKATIOIXAXYDN-ZDUSSCGKSA-N 313.426 3.309 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1OC 4842364 HWDWMOUJYCHBFB-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccccc2)ccc1Cl 1680255 DXNLDBASBALMSX-UHFFFAOYSA-N 313.718 3.016 5 50 DGBA O=[N+]([O-])c1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 3086235 QYXZLVQATVFGJH-UHFFFAOYSA-N 318.314 3.312 5 50 DGBA O=c1c2ccccc2[nH]c2ccc(I)cc12 4170359 XETGIKUBHYTPOH-UHFFFAOYSA-N 321.117 3.286 5 50 DGBA COC(=O)Cn1c2ccc(F)cc2c2nc3ccccc3nc21 531872 PPLPMWHSJIQGPA-UHFFFAOYSA-N 309.300 3.050 5 50 DGBA CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O 3998856 YKANMRVNHVYATD-SNVBAGLBSA-N 306.240 3.135 5 50 DGBA CCOc1cc(C=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 437386 KTLSBFWRRNEZBN-UHFFFAOYSA-N 315.281 3.025 5 50 DGBA CC(=O)c1ccc(N(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 273100651 DZQPDKIIYWWHSC-SNVBAGLBSA-N 319.386 3.494 5 50 DGBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 258601 XYFDZFKZAKZZKV-UHFFFAOYSA-N 316.744 3.447 5 50 DGBA O=[N+]([O-])c1cccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)c1 6953683 DIYKTWLKEVSNET-SNAWJCMRSA-N 311.219 3.280 5 50 DGBA Cc1cccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])c1 725342539 PVCZDRPEWSJOIE-UHFFFAOYSA-N 317.257 3.253 5 50 DGBA CSC1(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 194011052 SFLWVYHGCAZTAG-UHFFFAOYSA-N 309.391 3.229 5 50 DGBA Cc1cccc(-c2nnc(S)n2-c2ccccc2)c1[N+](=O)[O-] 5687824 TVNYNMOYWJLTCZ-UHFFFAOYSA-N 312.354 3.440 5 50 DGBA Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 408226286 MWWPNCAPKLTJCC-DZGCQCFKSA-N 317.389 3.145 5 50 DGBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 38888 OTMOUJIZCCZRQW-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CC[N+](C)(CC)CCc1c(C)c2ccc(OC)cc2oc1=O 2583355 IWAUXKQGXMTXLR-UHFFFAOYSA-N 304.410 3.139 5 50 DGBA CCOc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 145608 RDIBXHNYQNXPMB-UHFFFAOYSA-N 316.313 3.011 5 50 DGBA CCOc1cc(C=O)ccc1OCc1ccccc1[N+](=O)[O-] 439263 SFQAJNXKWDXUJB-UHFFFAOYSA-N 301.298 3.385 5 50 DGBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc([N+](=O)[O-])o1 5061071 JQIDSKUJPRWVCX-XFFZJAGNSA-N 318.672 3.186 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(C3CCCCC3)CC2)cc1 178723 CFOIMEJNDQNCDL-UHFFFAOYSA-N 303.406 3.045 5 50 DGBA Cc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] 315849 LSORIAIUGFYKKO-UHFFFAOYSA-N 314.385 3.458 5 50 DGBA CN(C)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5208159 ZTFJDQSUKGFENB-UHFFFAOYSA-N 316.386 3.470 5 50 DGBA Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 2881231 GUBYOVXKDLDJOG-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA O=Cc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 312434 GKYALHZQKDNTJQ-UHFFFAOYSA-N 305.673 3.280 5 50 DGBA COc1ccccc1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 247633276 CFJFXNJXCPLJIB-VPWXQRGCSA-N 318.437 3.261 5 50 DGBA biogenic,in-vitro O=C(O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 1399828 TVWQUGCVTXMXFU-UHFFFAOYSA-N 309.199 3.058 5 50 DGBA O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCCN2 238105326 WKGUNQGGPZUNKE-UHFFFAOYSA-N 311.341 3.134 5 50 DGBA O=C(CCCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1 1779478 IAVPJJHMUNKABT-UHFFFAOYSA-N 300.314 3.393 5 50 DGBA O=C(Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Cl 2570780 PFBJFWKSBNTCTB-UHFFFAOYSA-N 320.688 3.229 5 50 DGBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC1 4542793 XYLUTSANKCVOES-VQHVLOKHSA-N 312.325 3.490 5 50 DGBA Cc1cc(F)ccc1NCc1cc2c(cc1[N+](=O)[O-])OCO2 293181 POYJOUDYNBXLJO-UHFFFAOYSA-N 304.277 3.383 5 50 DGBA O=[N+]([O-])c1cc(Br)c(Br)c(F)c1F 263622915 CABHDEWLCMYKAF-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA CC(=O)Nc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 611427 GIQIJAUWJXYNJY-UHFFFAOYSA-N 314.301 3.197 5 50 DGBA O=c1c2cc(Cl)ccc2ncn1Cc1ccc([N+](=O)[O-])cc1 3124335 GGRXXDWFNMCZPI-UHFFFAOYSA-N 315.716 3.006 5 50 DGBA C[C@@H]1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4170509 OGZVPWVHKLFRRJ-NVXWUHKLSA-N 317.433 3.291 5 50 DGBA O=[N+]([O-])c1cccc(-c2csc(Cc3nc(O)cs3)n2)c1 1395285 VLSMUUZFUHPCLB-UHFFFAOYSA-N 319.367 3.471 5 50 DGBA O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1 166110215 KNWJXOFEPZHFIH-UHFFFAOYSA-N 300.261 3.064 5 50 DGBA CCc1cnc(CN(C)Cc2cc(F)ccc2[N+](=O)[O-])s1 175521680 GBCPCSRHDDKBJW-UHFFFAOYSA-N 309.366 3.385 5 50 DGBA O=Cc1ccc([N+](=O)[O-])cc1OC(C(F)(F)F)C(F)(F)F 169725209 MNTJIKLNWONFFO-UHFFFAOYSA-N 317.141 3.279 5 50 DGBA C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 460826 ZAONBTNPYQACPN-SNVBAGLBSA-N 304.277 3.140 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(C)c1OC 4843090 XBIYDEUAVJHIKA-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CC[C@@H](n2cc3ccccc3n2)C1 378565725 JYRKXLVCOZCNKL-MRXNPFEDSA-N 322.368 3.392 5 50 DGBA O=C(CCC(=O)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 6652006 YGCFSYYQTHLNSC-UHFFFAOYSA-N 316.288 3.336 5 50 DGBA CO[C@H](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 240551391 GTKFSLIBEGCWEP-MRXNPFEDSA-N 324.340 3.241 5 50 DGBA CC(=O)c1ccc(N[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 253422849 DDMJFUIYZGQFDU-BBRMVZONSA-N 306.362 3.413 5 50 DGBA CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] 178101117 XAQXOGRDARJYCV-CHWSQXEVSA-N 308.403 3.307 5 50 DGBA O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]1c1ccc[nH]1 169969455 QQQKTIXJAOZPHJ-MRXNPFEDSA-N 324.340 3.382 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 4724483 GEDFCCOZVDRIBS-INIZCTEOSA-N 315.417 3.069 5 50 DGBA O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CSc2ccccc21 118213696 TXROUBACLYNUMX-AWEZNQCLSA-N 314.366 3.101 5 50 DGBA Cn1cc(-c2cccc(CNc3cc(N)ccc3[N+](=O)[O-])c2)cn1 328586306 WTGLOVSGJTUVHB-UHFFFAOYSA-N 323.356 3.190 5 50 DGBA C[C@H]1CCSCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] 192353057 IOJCSEULWUPYCQ-VIFPVBQESA-N 314.794 3.216 5 50 DGBA O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 179899 UGPKQUAWSIETTO-HNNXBMFYSA-N 300.339 3.373 5 50 DGBA O=Cc1ccc(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 610621 MHFJKGCADGIZDZ-UHFFFAOYSA-N 317.282 3.202 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCCc3ccccc32)c([N+](=O)[O-])c1 2854321 MVZNQHIPNLJDGK-UHFFFAOYSA-N 313.313 3.456 5 50 DGBA O=C(COC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 4701894 OXFGFLFTWMONJQ-UHFFFAOYSA-N 319.700 3.288 5 50 DGBA C[C@H]1CN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H](C)O1 15239926 KETMWERWSYGZQO-PHIMTYICSA-N 319.386 3.332 5 50 DGBA COc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1F 2173648 PPFFUSMCQHXWML-UHFFFAOYSA-N 305.265 3.387 5 50 DGBA CCC(CC)C(=S)Sc1ncnc(N(C)C)c1[N+](=O)[O-] 4949081 LKNRMAXWAKUSAW-UHFFFAOYSA-N 314.436 3.307 5 50 DGBA COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@H]1O2 5732869 UTSVPXMQSFGQTM-CVJBHZAOSA-N 324.288 3.006 5 50 DGBA endogenous,in-man Cn1cc(CNc2cc(N)ccc2[N+](=O)[O-])c(-c2ccccc2)n1 193497509 IXKWMNJQJSERAP-UHFFFAOYSA-N 323.356 3.190 5 50 DGBA COc1ccc(C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 183986 NMZVFWLHVOSBMR-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 252933 UQVSMRBMUNDHCM-UHFFFAOYSA-N 314.341 3.283 5 50 DGBA COc1cc(CN2CCC[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1O 5577956 JSPMAJLMBMBAHE-ZIAGYGMSSA-N 320.389 3.464 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2 4892187 CHYBZIJAZKEUBZ-UHFFFAOYSA-N 315.285 3.010 5 50 DGBA O=C(NCc1cccnc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 37867424 FTGBWGNNXNMVFH-UHFFFAOYSA-N 323.308 3.180 5 50 DGBA COc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1O 4988767 JSPMAJLMBMBAHE-KBPBESRZSA-N 320.389 3.464 5 50 DGBA O=c1ccn(CCc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 194607745 UOZLLCWNLRDGDN-UHFFFAOYSA-N 313.140 3.306 5 50 DGBA COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 4905299 DMKYSRNUHFEHKW-UONOGXRCSA-N 312.325 3.346 5 50 DGBA Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c(O)c1 17030921 JTHDTHBDJZNLRS-UHFFFAOYSA-N 303.343 3.418 5 50 DGBA C/C=C(\C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 618175 CNKMZHICDBLYLH-FPYGCLRLSA-N 304.331 3.122 5 50 DGBA O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1 193210 GUTXURBXKUNXMM-MRXNPFEDSA-N 314.366 3.369 5 50 DGBA Cc1occc1-c1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 2081324 DBQYQLSCEONNNI-UHFFFAOYSA-N 316.229 3.121 5 50 DGBA Cc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104236432 NDGJBUNAAYXFKO-UHFFFAOYSA-N 318.245 3.463 5 50 DGBA O=C(O[C@H]1C=C[C@@H]2C=C[C@H]3C=C[C@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 71785740 VYMDTEMQEMYLDP-RTLLQYERSA-N 309.321 3.294 5 50 DGBA COc1cc(CN2CCC[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1O 229911991 JSPMAJLMBMBAHE-UONOGXRCSA-N 320.389 3.464 5 50 DGBA CCc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 3833311 KPIXZZAHGNIDQB-UHFFFAOYSA-N 320.370 3.266 5 50 DGBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 5068517 UJTXXHDDSJDQPZ-UHFFFAOYSA-N 317.389 3.258 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1CS(=O)(=O)c1ccccc1 189161107 UQRAABANEZTNDS-UHFFFAOYSA-N 311.746 3.222 5 50 DGBA Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 4623120 UQEXZQSLRJQAFE-UHFFFAOYSA-N 321.336 3.381 5 50 DGBA CC[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)OC 4056198 PGKDJZMJACWPLJ-OAHLLOKOSA-N 312.321 3.277 5 50 DGBA O=[N+]([O-])c1ccccc1/C=C/c1cc(C(F)(F)F)nc(O)n1 4809897 CWDAIPQAMCVPFC-AATRIKPKSA-N 311.219 3.280 5 50 DGBA COc1c(OC(F)F)ccc(/C=C/c2ccncn2)c1[N+](=O)[O-] 157294882 VBQUHGADBCQDLE-DUXPYHPUSA-N 323.255 3.165 5 50 DGBA C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 245565626 DTJPWBAYUZGVRI-MLGOLLRUSA-N 318.352 3.014 5 50 DGBA O=c1cc(C2CCCCC2)nc(-c2cccc([N+](=O)[O-])c2O)o1 22241960 JHJURMKVOBUWKO-UHFFFAOYSA-N 316.313 3.363 5 50 DGBA O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@H]1c1cccnc1 22078436 XYWWRVKWYFXXJC-INIZCTEOSA-N 313.357 3.423 5 50 DGBA C[C@H](Sc1ccncc1)C(=O)Nc1ccccc1[N+](=O)[O-] 119318668 UECLUPGUDKZKLI-JTQLQIEISA-N 303.343 3.109 5 50 DGBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])n1cnc2ccccc21 461634 LUGHUJKJOLQBQS-UHFFFAOYSA-N 301.689 3.286 5 50 DGBA C[C@H](CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 860046 OKMRBROQHLYMHT-CQSZACIVSA-N 312.369 3.275 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccncc1 156063388 APJJDMMXNYCIBP-LLVKDONJSA-N 300.318 3.181 5 50 DGBA O=C(c1ccccc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 64039 NYYVVQJHGWUOEJ-UHFFFAOYSA-N 319.700 3.250 5 50 DGBA O=C(O[C@@H]1C=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 71785732 VYMDTEMQEMYLDP-FVTGEYKSSA-N 309.321 3.294 5 50 DGBA O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1 5068010 CMNHJXYZEQIKTG-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA Cc1cc(C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1 1628075 SPHQXDSNIWEZNM-UHFFFAOYSA-N 321.354 3.288 5 50 DGBA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F 408467525 LHPWSJXSUOIJGJ-NOLJZWGESA-N 323.368 3.039 5 50 DGBA COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 443252 AMJOVZNMGKLEIJ-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA O=C(/C=C/c1ccco1)Nc1nc2ccc([N+](=O)[O-])cc2s1 475137 SWNZFOFFOGGWJP-GQCTYLIASA-N 315.310 3.449 5 50 DGBA CCCOc1ccc(N=c2cnc3cc([N+](=O)[O-])ccc3[nH]2)cc1 1875301840 SJJRDFRZJRANSK-UHFFFAOYSA-N 324.340 3.492 5 50 DGBA O=C(Nc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1Cl 3887267 YQGZWGXOIUIYIL-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA O=[N+]([O-])c1ncccc1Oc1ccnc(Cc2ccccc2)n1 253425530 QACBQIOELXLUID-UHFFFAOYSA-N 308.297 3.163 5 50 DGBA COCc1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)c1ccsc1 170649979 LFEKBGDPOUEIPW-OAHLLOKOSA-N 322.386 3.122 5 50 DGBA C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 189306 IYYZQBYMUSUVPU-UWVGGRQHSA-N 320.370 3.059 5 50 DGBA COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] 180950 PVMLLOHQCURMSH-UHFFFAOYSA-N 308.240 3.134 5 50 DGBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 3885323 BEEGBBKQFMABPW-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA CC(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2164763 LRQDCVRRPVYLOP-UHFFFAOYSA-N 314.301 3.197 5 50 DGBA CC(=O)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 4868847 OVNNZCHDEPERQB-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 2761729 IGTXOCJARBJISV-INIZCTEOSA-N 314.341 3.241 5 50 DGBA CCc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 14257027 VMOUZQOTFRIMDA-UHFFFAOYSA-N 320.370 3.266 5 50 DGBA CN(C)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 461416 BNZNWKBUSSLQFP-LFYBBSHMSA-N 311.341 3.313 5 50 DGBA CC(=O)c1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 253422853 DDMJFUIYZGQFDU-CJNGLKHVSA-N 306.362 3.413 5 50 DGBA CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1 5069329 MMEAAGMPOGFWFX-UHFFFAOYSA-N 305.378 3.479 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCc1ccccc1 261494373 VYYKHWQOOSYCNX-UHFFFAOYSA-N 317.257 3.252 5 50 DGBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1 20724890 MESNADOFGKOOAS-UHFFFAOYSA-N 312.332 3.187 5 50 DGBA O=C(NC1CC(Cl)(Cl)C1)c1ccc([N+](=O)[O-])cc1Cl 1304043889 DHFBHQPCYZONFN-UHFFFAOYSA-N 323.563 3.314 5 50 DGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 4071514 LQIWGYRYMZKQQL-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cn1 4881672 QUSJIYKPVQUEGO-SECBINFHSA-N 321.720 3.049 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(F)cc2)CC1 55543092 HDKLJQNQCJBVDA-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA COc1ccc2c(=O)c3c(=O)oc4cc(OC)ccc4c3oc2c1 252510342 ZHUVGPJLIGTIFW-UHFFFAOYSA-N 324.288 3.070 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccncc2)no1 467155 YZZBDXLOITTZLL-UHFFFAOYSA-N 302.677 3.360 5 50 DGBA COC(=O)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 619201 LKEDRIAPMYPCHZ-UHFFFAOYSA-N 323.308 3.234 5 50 DGBA Cc1cccnc1NC(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 4865723 BCPQDKXHSCOVEN-UHFFFAOYSA-N 314.345 3.371 5 50 DGBA Cc1nc(Cn2cc3cc([N+](=O)[O-])cc(Cl)c3n2)oc1C 888096245 OLZXTUPLAOFMFR-UHFFFAOYSA-N 306.709 3.251 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCSC(C)(C)C1 162498410 IMTLUNRKXOOLGD-UHFFFAOYSA-N 309.391 3.263 5 50 DGBA O=[N+]([O-])c1ccccc1OCc1nc(-c2cccs2)no1 4686675 YOHNPFLZJOVIFV-UHFFFAOYSA-N 303.299 3.285 5 50 DGBA Nc1c(C(=O)Nc2ccccc2)sc2ncc([N+](=O)[O-])cc12 3878299 QTAULQVSYKCSRN-UHFFFAOYSA-N 314.326 3.039 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(C3CCCCCC3)CC2)cc1 4007870 PDOWNUYTBHPRLO-UHFFFAOYSA-N 303.406 3.440 5 50 DGBA Cc1cc(C(=O)NCc2ccccc2Cl)ccc1[N+](=O)[O-] 859304 BCTWZCQNALPCGO-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA CCOC(=O)c1cnc(N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 596083265 YXZAQZRAXJNRRY-SECBINFHSA-N 321.358 3.401 5 50 DGBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1 5041883 HCXXPDYIZBGIEU-UHFFFAOYSA-N 308.750 3.452 5 50 DGBA Cc1c(OC(=O)c2ccn(-c3ccccc3)n2)cccc1[N+](=O)[O-] 917048568 OBIUBDFTFHCASE-UHFFFAOYSA-N 323.308 3.308 5 50 DGBA CN(C[C@@H]1CCCO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33464 KBXUAMHHJMNMHD-ZDUSSCGKSA-N 319.386 3.334 5 50 DGBA O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2 2383163 MEEXETVZNQYRSP-UHFFFAOYSA-N 311.249 3.328 5 50 DGBA biogenic,in-vitro O=C(Nc1ccc(SC(F)F)nc1)c1ccc([N+](=O)[O-])o1 120284932 ZWHJKFFMGHHJSF-UHFFFAOYSA-N 315.257 3.150 5 50 DGBA O=C(CCC[N+](=O)[O-])Nc1ccc(-n2cnc3ccccc32)cc1 1875380125 GBNAWTDWSVZBNH-UHFFFAOYSA-N 324.340 3.021 5 50 DGBA COc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 119765 IPGIZCZSJOFFQG-NSHDSACASA-N 316.313 3.009 5 50 DGBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 285468 GQQKSFNDALYYTE-UHFFFAOYSA-N 319.700 3.288 5 50 DGBA COc1cccc(OC)c1OCCOc1ccc([N+](=O)[O-])cc1 2983607 RHSTWKNQFGJUEV-UHFFFAOYSA-N 319.313 3.070 5 50 DGBA Cc1cc(N2CC3(CCC3)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] 952964780 WIQAEUCXRPPNKD-MRXNPFEDSA-N 310.357 3.425 5 50 DGBA C/C=C1/C[N@+]2(C)CCc3c4n(c5ccccc35)[C@@H](C(=O)O)[C@H]1C[C@@H]42 1772820085 MBYUFXAXLKULGV-FPJWGWASSA-O 323.416 3.291 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccccc1 63549 BAAHDRUWFTYKOI-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA CCOc1c([N+](=O)[O-])cc2c(C)c(C(=O)O)oc2c1OCC 186754 LTQJUWPGVPHZLC-UHFFFAOYSA-N 309.274 3.145 5 50 DGBA CCOc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4070521 KTWKANCBRZUYIM-UHFFFAOYSA-N 316.313 3.011 5 50 DGBA CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 253431588 HPSSOCINMWIBLO-XYQMPLONSA-N 314.382 3.226 5 50 DGBA O=c1c2c3c(sc2nc2c4ccccc4cnn12)CCCC3 91485 LMRZXWYSGZWMIP-UHFFFAOYSA-N 307.378 3.336 5 50 DGBA COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 271956 UTCXCILCZQSUGR-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2[nH]ncc2c1 4552374 PRMOGLTWXKVGRS-UHFFFAOYSA-N 315.264 3.254 5 50 DGBA Cc1ccc(C(=O)COC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 233163 AQXJXXQMCZYVFZ-UHFFFAOYSA-N 317.272 3.082 5 50 DGBA CC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 102919 CXYXYUQDWCMCQA-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] 350611 FMQZVJHFOGBVFQ-UHFFFAOYSA-N 314.297 3.058 5 50 DGBA COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(OC)c1 440637 ISKPCAGKAMPPTP-UHFFFAOYSA-N 320.276 3.003 5 50 DGBA Cc1c([N+](=O)[O-])ccnc1CSc1nc2ccccc2[nH]1 43190992 HLHGTWPLDSUGJJ-UHFFFAOYSA-N 300.343 3.467 5 50 DGBA in-vitro O=[N+]([O-])c1ccc(N2CCOCC2)cc1SCc1ccco1 4123877 KYQJEYTYTYXDKO-UHFFFAOYSA-N 320.370 3.317 5 50 DGBA COC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1 2536615 OJTRCSXRSIBJPY-UHFFFAOYSA-N 301.298 3.269 5 50 DGBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cnco2)cc1 133117391 MGCROCPQWMDVPI-UHFFFAOYSA-N 323.308 3.431 5 50 DGBA C[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 457267 IATNQZDQQFPPQK-SNVBAGLBSA-N 304.277 3.140 5 50 DGBA CCCCc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 1903565 ZYAXEOMNHFRUET-UHFFFAOYSA-N 320.374 3.350 5 50 DGBA CCCOC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 2980229 LIPNZFZNCMZJHB-UHFFFAOYSA-N 312.321 3.278 5 50 DGBA CCOC(=O)[C@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 39401192 AJBKHKJPOVZUOE-OAHLLOKOSA-N 301.298 3.278 5 50 DGBA Cc1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 17066377 IMLRLXYKMRRVBJ-UHFFFAOYSA-N 324.333 3.152 5 50 DGBA C[C@@H](CNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 2853646 MHCHJJQSLQHFGZ-NSHDSACASA-N 302.305 3.267 5 50 DGBA O=[N+]([O-])c1cccc(Br)c1N1CCC(F)(F)C1 169725448 YFZMDTXYBBDWDU-UHFFFAOYSA-N 307.094 3.203 5 50 DGBA CC1CCC(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 4170526 WIGYKFDFEQOAPR-UHFFFAOYSA-N 317.433 3.291 5 50 DGBA Cc1cccc(C[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 100559542 MAOSYJABPKCGCG-AWEZNQCLSA-N 324.336 3.025 5 50 DGBA Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 19634359 KWSSXOJHKMAZNW-UHFFFAOYSA-N 317.414 3.287 5 50 DGBA CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 1781775 FZKAVFLJLVWORL-UHFFFAOYSA-N 320.374 3.350 5 50 DGBA CN(C(=O)Cc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])nc1 225553838 IXHDKXTUEAIYOH-UHFFFAOYSA-N 321.336 3.349 5 50 DGBA Cc1nc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] 225532615 UHIYKCSWILGEQR-GUYCJALGSA-N 314.389 3.402 5 50 DGBA CCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 2875093 JIUZFFKMNDPWER-UHFFFAOYSA-N 318.285 3.007 5 50 DGBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1O 467003 PWJLXOMCQYDPFD-UHFFFAOYSA-N 307.689 3.311 5 50 DGBA CC(=O)c1ccc(Oc2cccc(-n3ccnn3)c2)c([N+](=O)[O-])c1 253419170 KHQPIXGNIRWHHK-UHFFFAOYSA-N 324.296 3.170 5 50 DGBA O=C(NCCSCc1ccccc1)c1ccc([N+](=O)[O-])cc1 2845454 PQWDEVOLQHTGGO-UHFFFAOYSA-N 316.382 3.258 5 50 DGBA CSc1ncc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])n1 4810681 AVOBDRRKFTVODN-UHFFFAOYSA-N 324.749 3.012 5 50 DGBA CCc1ccc(O)c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 179813770 LDHTWTVZXJCQDB-UHFFFAOYSA-N 304.277 3.254 5 50 DGBA Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] 1284533 LBRNDGCIXWLAAE-CYBMUJFWSA-N 314.341 3.159 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(CC3CCCCC3)CC2)cc1 4980813 ZNPYASUNUPFMLC-UHFFFAOYSA-N 303.406 3.297 5 50 DGBA COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 103373 DOAQTJCOFZLKJV-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA Cc1ccc(SCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2983587 DQHMYHSWRZCCNJ-UHFFFAOYSA-N 316.382 3.425 5 50 DGBA CCCCNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4531294 UFUMAMRZGVOZFR-UHFFFAOYSA-N 305.378 3.115 5 50 DGBA Cc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 55543744 VGRWCUQMFRLEEJ-UHFFFAOYSA-N 311.385 3.225 5 50 DGBA Cc1cc(N[C@@H](C)c2cc3n(n2)CCCC3)ncc1[N+](=O)[O-] 952964677 VOUWSIMLCRMLFN-NSHDSACASA-N 301.350 3.004 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1cccs1 5041483 UUQSCJCFOYNJBK-UHFFFAOYSA-N 323.399 3.152 5 50 DGBA CCCCN(CCCC)C[C@H](O)COc1ccccc1[N+](=O)[O-] 2990074 QOZVDRKCMONWFJ-HNNXBMFYSA-N 324.421 3.237 5 50 DGBA C[N@+]12CCCC[C@@H]1[C@H](CNc1ccccc1[N+](=O)[O-])CCC2 248086727 SDYOTJCUHWNRJA-JNAXZKDPSA-N 304.414 3.416 5 50 DGBA biogenic CC[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2c2ccccc12 19877685 MCPPSAYOIQJUQS-NSHDSACASA-N 311.341 3.479 5 50 DGBA Cc1c(NC(=O)[C@@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] 456972 COQFLLJLASBMII-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA COc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 375230 CNONQWAQHSHAMH-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA C[C@H](C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 471390 LKLHJPHZHDWYHJ-NSHDSACASA-N 302.305 3.154 5 50 DGBA CCCN(CCC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4263354 VZYMGVKXGSEFDE-UHFFFAOYSA-N 320.798 3.059 5 50 DGBA O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)N1 122534 YXGFMZDPQSGLHY-DOTOQJQBSA-N 312.325 3.075 5 50 DGBA CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 451347 GHIZPBPMKQXDQS-GFCCVEGCSA-N 314.341 3.485 5 50 DGBA COC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1C 154418439 JYVNZKODKOQXIR-UHFFFAOYSA-N 320.326 3.004 5 50 DGBA Cc1nccn1CCn1c(=O)c2ccccc2c2ccccc21 95375656 RHSWODNCCNAUEA-UHFFFAOYSA-N 303.365 3.360 5 50 DGBA O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 5050832 APIUTCKDBRJESN-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 3832512 VAODENZUKGGONH-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@H]2CCC=CCC[C@H]21 670476029 WAYPPSKMSVGURY-JYAVWHMHSA-N 302.330 3.231 5 50 DGBA O=[N+]([O-])c1c(N2CCC[C@@H]2c2nccs2)nc2sccn12 364926970 SFUYOYJIDZMXOP-MRVPVSSYSA-N 321.387 3.102 5 50 DGBA O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCc1ccc(F)cc1 465812 WETITLDTARWTTI-JXMROGBWSA-N 314.316 3.106 5 50 DGBA CC[C@H](C)N([C@H](C)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 16246917 POCJMMSJBXZOKD-TXEJJXNPSA-N 314.407 3.183 5 50 DGBA CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 4287642 UNNMTKGKCWNQNU-UHFFFAOYSA-N 322.361 3.373 5 50 DGBA in-vitro COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 101958 ZBKVFYFFKOYASW-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA COc1cc(C)ccc1OCCOc1ccccc1[N+](=O)[O-] 2985412 BCSBUEXCXNKVRM-UHFFFAOYSA-N 303.314 3.370 5 50 DGBA O=[N+]([O-])c1ccc(I)cc1C(F)(F)F 15444469 RVEQXLQKLMGPHL-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA COC(=O)c1ccccc1N[C@@H](OC)c1cccc([N+](=O)[O-])c1 1738073 SMSMAGCNGZJGIP-HNNXBMFYSA-N 316.313 3.139 5 50 DGBA O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[C@H]3c3ccccc3)nn12 159703262 FGMCQUJCSOESTC-UONOGXRCSA-N 323.356 3.386 5 50 DGBA O=C(CCC[N+](=O)[O-])Nc1ccc(-n2ncc3ccccc32)cc1 1875380124 FZWOHBCKLSWASX-UHFFFAOYSA-N 324.340 3.021 5 50 DGBA COc1ccc(NC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1 4652590 IUABQHVNYFMROY-FNORWQNLSA-N 304.327 3.317 5 50 DGBA Cc1ccc2cccc(Oc3ccc([N+](=O)[O-])cc3C(N)=O)c2n1 2826540 GEJOIGCGRKJKTN-UHFFFAOYSA-N 323.308 3.343 5 50 DGBA Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4820525 CGMDQSOUQKBFTO-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)C(C(F)(F)F)C(F)(F)F 2975509 ALXRWPQXVAYDDR-UHFFFAOYSA-N 316.157 3.274 5 50 DGBA biogenic CC(C)(C)OC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 34532095 FOMQBPGBFQWLBY-UHFFFAOYSA-N 321.377 3.406 5 50 DGBA Cc1nc(Cl)c(C(=O)NCc2ccccc2)c(C)c1[N+](=O)[O-] 95110 YZDOESOXRXYHJJ-UHFFFAOYSA-N 319.748 3.190 5 50 DGBA COCc1ccc([C@@H]2CCCN2c2cc(N)ccc2[N+](=O)[O-])o1 193502211 QYIOISYLIJZJBP-AWEZNQCLSA-N 317.345 3.258 5 50 DGBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2 252441027 BODPOXCWBVHGKA-NSHGMRRFSA-N 302.438 3.181 5 50 DGBA biogenic Cc1cc(C)cc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 1770373 GYFSKUUKBYNWOG-UHFFFAOYSA-N 314.341 3.020 5 50 DGBA CC1(C)CN(c2ncc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F 192549813 GNVNHWFUZDZLJJ-SSDOTTSWSA-N 309.313 3.466 5 50 DGBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCCO 5958529 VLIJLGVFNLPKQT-UHFFFAOYSA-N 324.380 3.359 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 2816597 YCZXIRQLRPMGAD-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccco1 470319 HATMKOAZJGQDDW-UHFFFAOYSA-N 317.330 3.012 5 50 DGBA Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)c2c[nH]nc2c1 408514935 DESLIQKTKAOYET-UHFFFAOYSA-N 310.313 3.340 5 50 DGBA COc1cc2c(cc1OC)[C@H](c1ccccc1[N+](=O)[O-])OCC2 6668134 CBQUSUJZWFYJKN-KRWDZBQOSA-N 315.325 3.274 5 50 DGBA biogenic,in-vitro CCO[P@@](=O)(c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 301689 VMRMFIBBRJFFHN-NYHFZMIOSA-N 321.269 3.226 5 50 DGBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl 358739 LVALGRKACURVQW-UHFFFAOYSA-N 307.689 3.233 5 50 DGBA O=Cc1cn(-c2ccc(F)cc2)nc1-c1cccc([N+](=O)[O-])c1 732207 XGNXPNMTCCYWRY-UHFFFAOYSA-N 311.272 3.399 5 50 DGBA COc1ccc(C(=O)CCNc2cccc([N+](=O)[O-])c2)cc1 2522042 TVMBKFFRPHQLDM-UHFFFAOYSA-N 300.314 3.288 5 50 DGBA CCOc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 115661 CASHQOYCIGXUPO-UHFFFAOYSA-N 316.313 3.011 5 50 DGBA O=C1CCc2cc(NCc3ccccc3[N+](=O)[O-])c(F)cc2N1 155865733 CSRGDBMBFNEHPC-UHFFFAOYSA-N 315.304 3.231 5 50 DGBA CC(C)Cc1nnc(NCc2ccc(Cl)c([N+](=O)[O-])c2)o1 170607195 QNRTUMCLLGEILG-UHFFFAOYSA-N 310.741 3.442 5 50 DGBA Cc1cccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)c1 1875323057 VASSGHIIPRGYKB-INIZCTEOSA-N 311.341 3.121 5 50 DGBA O=[N+]([O-])c1cc(Br)cnc1NC1CCCCC1 38537008 VZBKXAUXUUUXMA-UHFFFAOYSA-N 300.156 3.497 5 50 DGBA in-vitro CC(=O)Nc1nc(CC(C)C)cc2c1c(=O)oc1ccccc12 100616446 LJPUPQMKIMTAGR-UHFFFAOYSA-N 310.353 3.498 5 50 DGBA CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 101930 JZWBZRKMYFWJPY-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA CC(C)c1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1 1068477 IBUSKYWQRPHYOJ-UHFFFAOYSA-N 316.361 3.334 5 50 DGBA O=[N+]([O-])c1ncn(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)n1 100565396 FRCNNSDRJIUVNW-DIOPXHOYSA-N 324.384 3.433 5 50 DGBA CCOC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O 4759626 PPVBRJYVSJADEO-UHFFFAOYSA-N 312.281 3.375 5 50 DGBA CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1ccccc1[N+](=O)[O-])C2 390835894 PWUDSGZDTUJUSB-XYYAHUGASA-N 319.361 3.159 5 50 DGBA O=C1c2ccccc2CC[C@@H]1c1sc([N+](=O)[O-])cc1[N+](=O)[O-] 5379325 PTODVXRTYIZPEL-JTQLQIEISA-N 318.310 3.477 5 50 DGBA CSc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 563078 ZKVLYHXVTARQMU-UHFFFAOYSA-N 302.355 3.498 5 50 DGBA O=C(Oc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4846119 LJMFWVYQIBGKHI-UHFFFAOYSA-N 312.325 3.414 5 50 DGBA Cc1cc(C)c(OCC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1 569587 BASRBNNUOUKLPS-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 4010590 SZQHBRHLKJOHEK-UHFFFAOYSA-N 300.358 3.293 5 50 DGBA COc1ccccc1CN(C)c1cccc(OC)c1[N+](=O)[O-] 170598652 HGPDWYVXTYECSM-UHFFFAOYSA-N 302.330 3.248 5 50 DGBA COc1ccccc1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 311490 PKNCUXVODGWWED-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C 450097 YOUBBDFLUSQIAH-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA O=C(Nc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 557796 ZAWBDRJUCSTKLH-UHFFFAOYSA-N 308.240 3.449 5 50 DGBA CC(=O)c1cc(N2CCc3sccc3C2)ccc1[N+](=O)[O-] 228256801 SKTHAVIDWZXQNK-UHFFFAOYSA-N 302.355 3.422 5 50 DGBA Cc1cc(NCCN2CCOCC2)c2ccc3ccccc3c2n1 20229057 NXGXYRFMQIASBS-UHFFFAOYSA-N 321.424 3.441 5 50 DGBA COc1ccc(CN[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 2325807210 HXBFWTIKWRMBJH-LBPRGKRZSA-N 316.357 3.030 5 50 DGBA COc1cccc(N2CCC[C@H](c3cc(C)n[nH]3)C2)c1[N+](=O)[O-] 282191816 HIDNQDXRRJIFSR-LBPRGKRZSA-N 316.361 3.019 5 50 DGBA COc1ncc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 173524858 LSJUJLRJGCZDLE-UHFFFAOYSA-N 321.720 3.213 5 50 DGBA CC(=O)c1ccc(N[C@@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 408523167 HOKRLWATKGOCGN-JTQLQIEISA-N 300.318 3.069 5 50 DGBA O=[N+]([O-])c1cc(NCn2nnc3ccccc32)ccc1Cl 31909 VEHBGKSEGKRUMK-UHFFFAOYSA-N 303.709 3.063 5 50 DGBA NC(=O)c1c(Cl)cccc1NCc1cc(F)ccc1[N+](=O)[O-] 172941298 CMBBTSOOYQCKFL-UHFFFAOYSA-N 323.711 3.098 5 50 DGBA O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)c1ccsc1)CCC2 192886497 FEHSHWYPVUQOGN-HOTGVXAUSA-N 318.398 3.357 5 50 DGBA Cc1ccc(NC(=S)NCCc2ccccc2)c([N+](=O)[O-])c1 5041469 MNZVXFUGMMXAGD-UHFFFAOYSA-N 315.398 3.432 5 50 DGBA CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 610602 BYLIPDSORXIETK-OAHLLOKOSA-N 300.314 3.229 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1 4980659 XWUBMXKJHGQLQK-QPJJXVBHSA-N 323.396 3.430 5 50 DGBA O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1c1ccncc1 270902936 FYQFSHUGLLDEOQ-LBPRGKRZSA-N 304.737 3.380 5 50 DGBA Cc1nc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] 225532675 UHIYKCSWILGEQR-DYVFJYSZSA-N 314.389 3.402 5 50 DGBA Cc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c1[N+](=O)[O-] 170605964 KLIIHIUXGXWSEA-JTQLQIEISA-N 319.748 3.443 5 50 DGBA COc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 25559956 NRWKSVMSECUCEC-UHFFFAOYSA-N 302.286 3.352 5 50 DGBA Cc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] 670417733 VTGLZELOOBEFMK-UHFFFAOYSA-N 317.257 3.253 5 50 DGBA Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 310794 KNDSMTAJXXFHQY-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CCOC(=O)c1c(N)sc(-c2ccc([N+](=O)[O-])cc2)c1C 2527454 CXRJNUVDWUINBY-UHFFFAOYSA-N 306.343 3.391 5 50 DGBA O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12 187841 ZYMZJDWJYQZCOX-UHFFFAOYSA-N 302.673 3.417 5 50 DGBA Cc1c(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1C 221974081 NAXXJKQRTOHWEY-WZUFQYTHSA-N 317.736 3.250 5 50 DGBA O=[N+]([O-])c1c(NCc2ccccc2)cc(Cl)c2nonc12 3882524 WOIINWLFYFXRET-UHFFFAOYSA-N 304.693 3.397 5 50 DGBA Cc1cccc(C(C)C)c1NC(=O)c1c([N+](=O)[O-])cnn1C 356064 DGRKJGCHLQJDSZ-UHFFFAOYSA-N 302.334 3.012 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)cc1 4333440 PWHSZODVBZRUQR-HNNXBMFYSA-N 301.390 3.073 5 50 DGBA O=C(COc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 320442 PGUURZYSUJSSOJ-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA C[C@@H]1SCCN(c2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1C 225400345 AXZARIMRLKMQCH-MNOVXSKESA-N 303.387 3.473 5 50 DGBA Cc1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 20167576 KXANABLAIKYKPF-HUUCEWRRSA-N 322.405 3.171 5 50 DGBA CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] 178101104 XAQXOGRDARJYCV-STQMWFEESA-N 308.403 3.307 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1F 4761762 DSYDARRWQKUAOX-UHFFFAOYSA-N 305.265 3.387 5 50 DGBA CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2767088 XGYMKNFAJXYNPK-OAHLLOKOSA-N 320.370 3.024 5 50 DGBA CCSCC[C@@H](C)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 170613119 DMJHRJNTFSVGDK-SNVBAGLBSA-N 308.407 3.439 5 50 DGBA O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2)c2ncccc12 4046010 JRQOWPJRZGLPCA-MRXNPFEDSA-N 309.325 3.289 5 50 DGBA CC(=O)Oc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4842523 ZQJFTTOBCXTNKJ-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 241161286 JZQZFHGAUSFCLY-NJZAAPMLSA-N 308.353 3.254 5 50 DGBA CCOC(=O)c1c(Cl)cc(Cl)c(NC(C)=O)c1[N+](=O)[O-] 4844011 UCDYAULPDOEXPJ-UHFFFAOYSA-N 321.116 3.037 5 50 DGBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 258597 MZMTXNBJWYHRHI-UHFFFAOYSA-N 316.744 3.447 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3Cl)CC2)o1 1227538 ONBUDKLINWBEKL-UHFFFAOYSA-N 321.764 3.163 5 50 DGBA CC(C)CCC[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2988763 BPEIMMVFWIGKAF-LBPRGKRZSA-N 314.407 3.088 5 50 DGBA C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 4907435 AUMSCPGERKJQOK-JTQLQIEISA-N 304.277 3.140 5 50 DGBA CC(=O)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 2031256 STKGXAKQSQSITJ-UHFFFAOYSA-N 301.298 3.255 5 50 DGBA CCOc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1 4845288 OUDWXWPEMJCHPB-UHFFFAOYSA-N 304.277 3.385 5 50 DGBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2C)n1 1432481 HHSDDLQSDBXAQL-UHFFFAOYSA-N 308.725 3.025 5 50 DGBA C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 120496248 CYAIYJAKRUAPTI-IAQYHMDHSA-N 312.329 3.215 5 50 DGBA O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccncc2)c(Cl)c1 253416854 CFQWPMSRGVFEHT-ZDUSSCGKSA-N 304.737 3.380 5 50 DGBA CCc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 572085 GWIVWFLXDDHKTA-UHFFFAOYSA-N 313.309 3.197 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NCc1ccc(OC)c(OC)c1 355307 OCRKKINICMHYLT-UHFFFAOYSA-N 318.329 3.233 5 50 DGBA Cc1ccc(O)c(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1 4981096 IAMZIEQDERSIRZ-UHFFFAOYSA-N 312.281 3.459 5 50 DGBA C[C@@H](NCCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 239667955 BSHCXVDYEWCEFB-LLVKDONJSA-N 303.337 3.209 5 50 DGBA COc1ccccc1CC(=O)Nc1cccc([N+](=O)[O-])c1C 176825 AYPNOENYAYXYCF-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] 374336 PHJWSOLLGMQAAF-UHFFFAOYSA-N 303.158 3.215 5 50 DGBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3151011 FDAJPLNEEWBDNX-UHFFFAOYSA-N 301.258 3.064 5 50 DGBA O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCCCC1 4660698 DCOMXVLCVUNTTF-UHFFFAOYSA-N 317.389 3.211 5 50 DGBA C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 120496374 CYAIYJAKRUAPTI-XHDPSFHLSA-N 312.329 3.215 5 50 DGBA CC(C)(C)Cc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 476582 QIBMZROMKNUHRC-UHFFFAOYSA-N 320.374 3.287 5 50 DGBA CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O 3998855 YKANMRVNHVYATD-JTQLQIEISA-N 306.240 3.135 5 50 DGBA CC(C)(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1 1577071 LISYARSNTHASDG-UHFFFAOYSA-N 318.285 3.240 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NCCc1ccccc1 5041650 ARUCIIKDRMVTGI-UHFFFAOYSA-N 315.398 3.432 5 50 DGBA Cc1ccc(CNC(=S)Nc2ccccc2[N+](=O)[O-])cc1 5041935 YKFWEVUMEAUXSK-UHFFFAOYSA-N 301.371 3.390 5 50 DGBA Cc1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1 4185206 MXYOAMJEHJWGLU-UHFFFAOYSA-N 313.357 3.135 5 50 DGBA O=C(O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 41124 FKSAINWXPBNXQN-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1 3813003 DGBIGWXXNGSACT-UHFFFAOYSA-N 315.716 3.038 5 50 DGBA biogenic,fda O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1 3873822 WBSMIPAMAXNXFS-UHFFFAOYSA-N 300.314 3.338 5 50 DGBA biogenic,in-vivo CSc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 555154 GXXAGJDWRRSTNF-UHFFFAOYSA-N 302.355 3.498 5 50 DGBA O=C1CCc2cc([N+](=O)[O-])c(NCC3(C4CC4)CCC3)cc2N1 128435171 KUMYOUDDAAXFCU-UHFFFAOYSA-N 315.373 3.472 5 50 DGBA O=Cc1cc([N+](=O)[O-])ccc1OC(C(F)(F)F)C(F)(F)F 169725215 YDWXUAGSRBVYBW-UHFFFAOYSA-N 317.141 3.279 5 50 DGBA COc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc1OC 2164954 ZNDSFFIZNYNIHT-UHFFFAOYSA-N 318.285 3.054 5 50 DGBA CC(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccc(C)cc1 334161140 UXHIVKVWFMTSCN-UHFFFAOYSA-N 300.314 3.441 5 50 DGBA COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 5732866 UTSVPXMQSFGQTM-ASCAZGACSA-N 324.288 3.006 5 50 DGBA endogenous,in-man COC(=O)c1cn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 455338 WIYUQIAVNMPNNF-UHFFFAOYSA-N 324.292 3.025 5 50 DGBA O=[N+]([O-])c1ccc(O)c(CSc2nc3ccccc3[nH]2)c1 34772748 RUXQHQJWVMOXHR-UHFFFAOYSA-N 301.327 3.469 5 50 DGBA O=[N+]([O-])c1ccc(Cc2nnc(S)n2-c2ccccc2)cc1 6534213 DDWBDDWWIIJLLC-UHFFFAOYSA-N 312.354 3.055 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1 21298122 OJITWRFPRCHSMX-UHFFFAOYSA-N 307.313 3.499 5 50 DGBA in-vitro O=[N+]([O-])c1ccc(N2CCCCC2)c(F)c1Br 5590416 RXFOYKZIVHPVNW-UHFFFAOYSA-N 303.131 3.487 5 50 DGBA CC[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 4989065 DTHBNBYFAKIVGS-CYBMUJFWSA-N 308.378 3.377 5 50 DGBA CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCC2 100092417 FNZACQYAMZZXAZ-UHFFFAOYSA-N 308.337 3.178 5 50 DGBA C[C@H]1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4170508 OGZVPWVHKLFRRJ-RDJZCZTQSA-N 317.433 3.291 5 50 DGBA Cc1cccc(C(=O)NCc2ccccc2Cl)c1[N+](=O)[O-] 4814256 IEKDCAOWDMGBEC-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 71770017 RFVINDWAONCWIK-UHFFFAOYSA-N 302.286 3.435 5 50 DGBA O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(F)c1 431159 YAOHAHZFYBYJJH-ZSOIEALJSA-N 312.256 3.078 5 50 DGBA CCn1nccc1/C=C(\Cl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 221961142 PCHRKWKKNHPFSC-XFFZJAGNSA-N 317.736 3.424 5 50 DGBA CCOc1ccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 5610418 MTNUADAIDHTJQB-YHYXMXQVSA-N 313.313 3.040 5 50 DGBA CC1CCN(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 315791 FFBUHCQOQFEBSM-UHFFFAOYSA-N 317.433 3.291 5 50 DGBA COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1OC 462085 CQNUGEZYJSZNAI-UHFFFAOYSA-N 300.270 3.420 5 50 DGBA Cc1nc(Sc2ccc([N+](=O)[O-])cn2)nc2c1CCCC2 810567 ZFCUEEDHXXGCEB-UHFFFAOYSA-N 302.359 3.118 5 50 DGBA O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCCC[C@H]32)ccc1Cl 230119957 WKSWVRWYGZFDGW-UKRRQHHQSA-N 310.781 3.392 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 3896295 YTUNYHPOAXWQIR-UHFFFAOYSA-N 301.258 3.064 5 50 DGBA CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 103392 JVSJONXABUHJRG-UHFFFAOYSA-N 300.314 3.270 5 50 DGBA COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1ccsc1 170649981 LFEKBGDPOUEIPW-HNNXBMFYSA-N 322.386 3.122 5 50 DGBA O=[N+]([O-])c1ccc(NCCCOc2ccncc2)c2ncccc12 2325739805 CHCPJLQNGRTDIW-UHFFFAOYSA-N 324.340 3.419 5 50 DGBA CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 1895659 QQACXKQHVJCFSU-UHFFFAOYSA-N 306.347 3.041 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1 55542988 SSWSQOCQMSPPAM-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA CSC[C@H](C)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc12 863947771 GGYQLUXUXDXKBV-VIFPVBQESA-N 305.359 3.081 5 50 DGBA CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccccc1 20388220 GMRNMZCWTNASCB-UHFFFAOYSA-N 300.358 3.326 5 50 DGBA O=[N+]([O-])c1cc2c(N3Cc4ccccc4CO3)ncnc2s1 367933693 CCUHRESRGJBAJU-UHFFFAOYSA-N 314.326 3.051 5 50 DGBA COc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 301819 NRBMASVSXWSDAJ-NSHDSACASA-N 316.313 3.009 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccccc1 8579394 RKTJGJVSKQREKG-UHFFFAOYSA-N 303.343 3.412 5 50 DGBA Cc1cc(N2CCC(OCC3CCCC3)CC2)ncc1[N+](=O)[O-] 242087982 WATKIICAGMLSOL-UHFFFAOYSA-N 319.405 3.474 5 50 DGBA CCSc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 2026124 AJCOMCAVYUEJOQ-UHFFFAOYSA-N 324.387 3.119 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1O 4014141 SIWASSLWJNRVAY-UHFFFAOYSA-N 322.704 3.215 5 50 DGBA Cc1cc(N2CC3(CCC3)[C@@H]2c2cccnc2)ncc1[N+](=O)[O-] 952964772 WIQAEUCXRPPNKD-INIZCTEOSA-N 310.357 3.425 5 50 DGBA Cc1c(C(=O)Nc2nnc(CC(C)C)s2)cccc1[N+](=O)[O-] 73921 HGQBCYZFESGKGC-UHFFFAOYSA-N 320.374 3.206 5 50 DGBA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F 408467523 LHPWSJXSUOIJGJ-BJJXKVORSA-N 323.368 3.039 5 50 DGBA CN(C)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 467058 DMILBRJVMZJLBT-UHFFFAOYSA-N 300.314 3.018 5 50 DGBA O=Cc1cn(-c2ccccc2F)nc1-c1ccc([N+](=O)[O-])cc1 732224 PKQFKQFKYSPRBU-UHFFFAOYSA-N 311.272 3.399 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Br 216616149 ZDVJDYAQNIZJBJ-UHFFFAOYSA-N 301.140 3.015 5 50 DGBA CCOC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 3913741 BKWSCURTPBKAMU-UHFFFAOYSA-N 300.314 3.384 5 50 DGBA in-vitro O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cl 453048 MHXCNKIMDBDEMI-UHFFFAOYSA-N 304.733 3.107 5 50 DGBA O=Cc1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1 75953 CCWYWHCXMRHKSJ-UHFFFAOYSA-N 317.322 3.105 5 50 DGBA Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1[N+](=O)[O-] 471250 RXALBSANOVAPGQ-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 4644559 KPYIUCXVOGYSCQ-LRDDRELGSA-N 324.336 3.278 5 50 DGBA O=C(NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 118384 AFOSFVQWSKDXJG-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc21 43171 QVIYFEDPSUIXEY-UHFFFAOYSA-N 302.717 3.451 5 50 DGBA Cc1ccc([N+](=O)[O-])c2c1[C@H](N1C[C@H](C)O[C@@H](C)C1)C(C)(C)O2 169295738 KXNOTNFTDYFDHS-MKBNYLNASA-N 320.389 3.225 5 50 DGBA Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1[N+](=O)[O-] 464495 KKAJVTQHWPXOMP-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA Cc1cc([C@@H](C)OC(=O)c2cc(F)c([N+](=O)[O-])cc2F)no1 253630138 MAHULLOYSKLHTP-SSDOTTSWSA-N 312.228 3.087 5 50 DGBA O=C(NCCSC1CCCCC1)c1ccc([N+](=O)[O-])cc1 2813925 WRNKEDSJUXUZMZ-UHFFFAOYSA-N 308.403 3.391 5 50 DGBA Cc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 2881232 GUBYOVXKDLDJOG-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA O=C(Nc1cccc(Cn2cccn2)c1)c1ccccc1[N+](=O)[O-] 1055118 AOHTYKLLOCXLHV-UHFFFAOYSA-N 322.324 3.092 5 50 DGBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 4748039 PZBATUNEVLSDIG-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 3843105 JEZZOKXIXNSKQD-UHFFFAOYSA-N 302.246 3.147 5 50 DGBA biogenic,in-vivo CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 6489297 UOTAAQQPWCVBMV-HNNXBMFYSA-N 320.370 3.024 5 50 DGBA CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 468632 PVQCHVLPVYLZCA-UHFFFAOYSA-N 300.314 3.027 5 50 DGBA O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@H]1c1cccnc1 22078432 XYWWRVKWYFXXJC-MRXNPFEDSA-N 313.357 3.423 5 50 DGBA O=[N+]([O-])c1cccc(CCNc2ncnc3cccc(F)c23)c1 170590974 CHSFCFXXOSXHJN-UHFFFAOYSA-N 312.304 3.332 5 50 DGBA CCCCN(CCCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 5465597 OMACDCRGEOQSRG-UHFFFAOYSA-N 314.407 3.186 5 50 DGBA O=c1oc(-c2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 1510885 VRSOECWWRPQEGV-UHFFFAOYSA-N 302.673 3.417 5 50 DGBA COc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 252462364 RTMOHIUWLIAADG-YVWKXTFCSA-N 318.437 3.261 5 50 DGBA biogenic O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])o1 310529 SOJPNJFURVBQEG-UHFFFAOYSA-N 311.091 3.203 5 50 DGBA O=[N+]([O-])c1c(Br)cc(Br)c(F)c1F 263625183 XMDGDPPUJKTIKH-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA CSCc1nnc(SCc2ccc([N+](=O)[O-])c(F)c2)o1 170605565 MYAYBKSIKRHEEI-UHFFFAOYSA-N 315.351 3.272 5 50 DGBA O=C1c2ccccc2CC[C@H]1c1sc([N+](=O)[O-])cc1[N+](=O)[O-] 5379339 PTODVXRTYIZPEL-SNVBAGLBSA-N 318.310 3.477 5 50 DGBA CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2873758 QFIMSQBUDJYEOL-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA COc1ccccc1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 247633280 CFJFXNJXCPLJIB-XAUMDUMWSA-N 318.437 3.261 5 50 DGBA biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(F)c1 1753338 KCYOSCZSZCAJRX-UHFFFAOYSA-N 305.265 3.387 5 50 DGBA COc1cccc(N2CCC[C@H](c3nccs3)C2)c1[N+](=O)[O-] 185305370 RPVYZDJAXKGWNT-NSHDSACASA-N 319.386 3.444 5 50 DGBA O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)N1 122541 YXGFMZDPQSGLHY-NVXWUHKLSA-N 312.325 3.075 5 50 DGBA O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1[N+](=O)[O-] 446246 OVVBVKXLCBYVMV-LCYFTJDESA-N 312.256 3.078 5 50 DGBA COc1ccc(C(=O)C[C@](C)(O)c2cccc([N+](=O)[O-])c2)cc1 5046483 PARBWVHAZFFJOC-KRWDZBQOSA-N 315.325 3.084 5 50 DGBA COc1cccc(C(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])c1 4986276 GTIVXNCPJUWNQX-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3F)CC2)s1 55544039 FSHQALYUAIEKRD-UHFFFAOYSA-N 321.377 3.118 5 50 DGBA Cc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] 302598 SANQEFDQZNAHJV-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA OCCN(CCO)Cc1ccc2ccc3cccc4ccc1c2c34 6884208 YAOQTFIXZQSSIK-UHFFFAOYSA-N 319.404 3.371 5 50 DGBA O=[N+]([O-])c1ccc(/C=C/c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 1599005 JZKCYSOYDHMFHQ-HNQUOIGGSA-N 314.253 3.402 5 50 DGBA O=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 312821 RNVCOMPELIRXIN-UHFFFAOYSA-N 305.673 3.280 5 50 DGBA COc1nc(C)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 498622 CWWCCFQBVNFODQ-UHFFFAOYSA-N 312.285 3.024 5 50 DGBA COc1c(C)cccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 4841970 WRUYKDZYZPNMCD-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 103424 VAWHVBUXCGGPNU-NSHDSACASA-N 300.314 3.094 5 50 DGBA CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc([N+](=O)[O-])c1 613666 RMULPOYYYSKDHQ-OAHLLOKOSA-N 313.313 3.194 5 50 DGBA CC[C@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)n1nc(C)cc1C 4750405 TZPVEFKKEXTLOQ-HNNXBMFYSA-N 317.345 3.214 5 50 DGBA O=C(Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])o1 4842164 BEEHSUPOPGWGQH-UHFFFAOYSA-N 315.329 3.430 5 50 DGBA O=C1OC(c2ccccc2F)=N/C1=C\c1cccc([N+](=O)[O-])c1 4588866 IGSIGWRBYGKUEF-ZROIWOOFSA-N 312.256 3.078 5 50 DGBA C[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] 4907509 MKYOHQSXSJPYTJ-JTQLQIEISA-N 304.277 3.140 5 50 DGBA Cc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] 318802 ZJEVIGFYIMEWBV-UHFFFAOYSA-N 320.374 3.305 5 50 DGBA CC(C)(C)C(=O)Cc1nsc(Nc2cccc([N+](=O)[O-])c2)n1 17055272 BMOCDVUMRRBHEP-UHFFFAOYSA-N 320.374 3.348 5 50 DGBA CCOC(=O)c1cc(Br)c(Cl)cc1[N+](=O)[O-] 446228 YNZPIABVLUMBMH-UHFFFAOYSA-N 308.515 3.187 5 50 DGBA O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2F)o1 457111 WGYJAMZUZVHQSP-UHFFFAOYSA-N 312.256 3.416 5 50 DGBA O=[N+]([O-])c1cc(F)c(N2CCCC[C@H]2c2cc[nH]n2)c(F)c1 240569328 GZPJKFRJQVHISM-ZDUSSCGKSA-N 308.288 3.328 5 50 DGBA COc1nc(C)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 498623 LGTUGBPTWLLWFZ-UHFFFAOYSA-N 312.285 3.024 5 50 DGBA O=[N+]([O-])c1cccnc1NCc1ccc(O)c(Br)c1 155585061 GVFPKFINJJXJFL-UHFFFAOYSA-N 324.134 3.070 5 50 DGBA CCN(Cc1ccccc1)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 16662984 NQAMQRBHZJPAHU-UHFFFAOYSA-N 316.357 3.331 5 50 DGBA CCc1[nH]nc(-c2nc(-c3ccc(F)c(C)c3)no2)c1[N+](=O)[O-] 170615949 DZWPIIKOLSNRSA-UHFFFAOYSA-N 317.280 3.045 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1 5009731 ZIMDKXQUCGFQDV-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c([N+](=O)[O-])c1 1741697 ZEFKMKRHCBWYEZ-UHFFFAOYSA-N 320.236 3.286 5 50 DGBA CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 185726 VGGSVWVYEYVFFO-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1ccccc1 475701 BJPGMFNKWVKACT-LLVKDONJSA-N 300.314 3.346 5 50 DGBA O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 5942033 DPMYHAVTEIMURL-UHFFFAOYSA-N 314.297 3.008 5 50 DGBA Cc1ccnc(N[C@@H](C)c2cc3n(n2)CCCC3)c1[N+](=O)[O-] 952880543 BUGTYUNUBJPPFI-NSHDSACASA-N 301.350 3.004 5 50 DGBA CCOc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 4116726 YPJQGOILIAZVRV-UHFFFAOYSA-N 300.274 3.273 5 50 DGBA O=C(NCCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 171580 VXDJRTJBOJFUOC-UHFFFAOYSA-N 309.325 3.049 5 50 DGBA in-vitro CCCC[C@H](CC)CNC(=O)COc1ccc([N+](=O)[O-])cc1 1750481 BZLBGWXJYRBFEV-ZDUSSCGKSA-N 308.378 3.306 5 50 DGBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(F)(F)C(F)F 283574474 JYKPYHDHXNTSFR-UHFFFAOYSA-N 323.246 3.234 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(F)cc1 17030890 JZVNJIAQNLSUNW-UHFFFAOYSA-N 303.293 3.364 5 50 DGBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](CO)C2)o1 4986603 FJJOKZBVCRHNQS-ZDUSSCGKSA-N 316.357 3.059 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1F 5041986 RPHBBQGGLGHRKG-UHFFFAOYSA-N 319.292 3.064 5 50 DGBA CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] 308306 FYSJDIXTWRIQOE-UHFFFAOYSA-N 304.277 3.385 5 50 DGBA O=Cc1cc(Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 316543 CYTPOMWHVNYMDQ-UHFFFAOYSA-N 305.673 3.280 5 50 DGBA CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 3958852 HFDGXNYSNAKWBP-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2897374 DMOAXMOWUKCSTD-UHFFFAOYSA-N 301.258 3.064 5 50 DGBA CCOc1ccc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 859615 PURYWZMKFIHOJI-UHFFFAOYSA-N 304.277 3.385 5 50 DGBA COc1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 301822 NRBMASVSXWSDAJ-LLVKDONJSA-N 316.313 3.009 5 50 DGBA CCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC 4771062 FDERFRQZKXHUIK-SOFGYWHQSA-N 304.302 3.469 5 50 DGBA CC[C@@H](C)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F 277507346 FICAXYMAMXVBOU-HQJQHLMTSA-N 322.258 3.441 5 50 DGBA Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] 2883238 SLQJJTHJRGGFCR-UHFFFAOYSA-N 316.361 3.170 5 50 DGBA COc1ccccc1-c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1N 4808975 UWXXSVCFBILWHP-UHFFFAOYSA-N 324.340 3.347 5 50 DGBA C/C=C1/C[N@@+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 253487461 KRTATNOTKFNEFT-KFULFHKYSA-N 309.433 3.169 5 50 DGBA C[C@@H]1CN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H](C)O1 309442 KETMWERWSYGZQO-GHMZBOCLSA-N 319.386 3.332 5 50 DGBA CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2767087 XGYMKNFAJXYNPK-HNNXBMFYSA-N 320.370 3.024 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 4749653 FHZVQSZGBFRBBQ-UHFFFAOYSA-N 300.192 3.459 5 50 DGBA O=[N+]([O-])c1cnc(Nc2ccc(NC3CCOCC3)cc2)s1 253430612 XBYDDSNGABNJIL-UHFFFAOYSA-N 320.374 3.386 5 50 DGBA CCOc1cc(N(C)Cc2conc2CC)ccc1[N+](=O)[O-] 338784220 UQAILHWFNZDUDT-UHFFFAOYSA-N 305.334 3.180 5 50 DGBA COc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1[N+](=O)[O-] 445118 OGUHQZFVUHJVJJ-UHFFFAOYSA-N 323.308 3.269 5 50 DGBA COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 461346 MHGWGUJEABQCPW-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl 4101116 MBBQXNUGYYNUAZ-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA Cc1nnc(Sc2ccc3ncccc3c2[N+](=O)[O-])s1 112072591 SKOUBOJSIFCRLK-UHFFFAOYSA-N 304.356 3.454 5 50 DGBA C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H](c2ccsc2)O1 110681991 WCIKHYPZXCCYBH-GWCFXTLKSA-N 305.359 3.018 5 50 DGBA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 371374 BSCJSIJLHYMUPO-NSHDSACASA-N 318.304 3.448 5 50 DGBA Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 2552483 JWZMZNSXIROASA-UHFFFAOYSA-N 315.251 3.463 5 50 DGBA O=C1c2ccccc2C(=O)N1Cc1cc(Cl)ccc1[N+](=O)[O-] 74783032 URYQENOVXBPFLT-UHFFFAOYSA-N 316.700 3.044 5 50 DGBA CC1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 4981247 CIKLPZZOYFLLRA-UHFFFAOYSA-N 303.406 3.296 5 50 DGBA O=[N+]([O-])c1nn(Cc2ccc(Br)cc2)cc1Cl 4856102 ZARVXIBJLQFMBQ-UHFFFAOYSA-N 316.542 3.256 5 50 DGBA O=[N+]([O-])c1cccc(-c2nnc(S)n2Cc2ccccc2)c1 8830278 AQJIGPKXAIINEO-UHFFFAOYSA-N 312.354 3.190 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1C 588439 AXCSXBBRYAXFJT-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA CCOc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1 474359 OYCGMSPVPWLMSW-UHFFFAOYSA-N 303.314 3.065 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@H]1CCCCO1 162954687 WPZGXEZMIYTJFM-CQSZACIVSA-N 321.377 3.374 5 50 DGBA O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 3897815 NJBCQHGRSJFYHM-UHFFFAOYSA-N 318.716 3.460 5 50 DGBA CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4869076 COVNXORLPPGIAC-UHFFFAOYSA-N 300.314 3.418 5 50 DGBA COc1ccc(C=O)cc1COc1cc(C)ccc1[N+](=O)[O-] 4299135 SCJZDCYJZONMOK-UHFFFAOYSA-N 301.298 3.303 5 50 DGBA CCSCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 184819766 LCZPPTOLZNTFBB-UHFFFAOYSA-N 321.358 3.397 5 50 DGBA CCCn1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 170614358 OJNZKFHCGQTIHK-UHFFFAOYSA-N 321.764 3.390 5 50 DGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 433891 DKICAOSTNGFTTN-UHFFFAOYSA-N 320.688 3.229 5 50 DGBA CC[C@@H](C)n1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1C 362729973 STCSKHNAILHXKH-LLVKDONJSA-N 316.361 3.631 5 50 DGBA CC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 38700 NNEQPYHLUVSUGQ-BJMVGYQFSA-N 310.309 3.449 5 50 DGBA Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 151043174 IYQPZVUJAASCGX-UHFFFAOYSA-N 318.333 3.221 5 50 DGBA Cc1ccc(C(=O)c2nccn2-c2ccccc2[N+](=O)[O-])cc1 6659414 XWEGVWMAHOXWRY-UHFFFAOYSA-N 307.309 3.320 5 50 DGBA Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 6184745 YZLRZWLUJYJSOR-UHFFFAOYSA-N 322.324 3.341 5 50 DGBA O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](c2ccccc2)C1 280677118 LYESHJRTXKUARH-WKILWMFISA-N 310.353 3.200 5 50 DGBA COC(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 2534353 KZIHLDBMLYUOPD-UHFFFAOYSA-N 311.677 3.207 5 50 DGBA O=C(COc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1F 358771 JSEFDYAQQURWBQ-UHFFFAOYSA-N 324.695 3.405 5 50 DGBA C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2N1 4622919 JXFUOUHKKGPPQW-GFCCVEGCSA-N 311.341 3.332 5 50 DGBA CC(C)CCOc1cc(N)c([N+](=O)[O-])cc1Br 65336874 YWBRNGDBCRWWLK-UHFFFAOYSA-N 303.156 3.364 5 50 DGBA in-vitro COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 4891897 ABKJGGSHNIWWSG-RUDMXATFSA-N 316.288 3.394 5 50 DGBA C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 225460733 GRIKXMGAWMARGW-NQBHXWOUSA-N 322.361 3.223 5 50 DGBA Cc1cccc(C(C)C)c1NC(=O)c1nn(C)c(C)c1[N+](=O)[O-] 370999 FVSLMYWQYDPOEQ-UHFFFAOYSA-N 316.361 3.321 5 50 DGBA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F 408467524 LHPWSJXSUOIJGJ-INWMFGNUSA-N 323.368 3.039 5 50 DGBA COc1ccccc1-c1nc(-c2ccccc2[N+](=O)[O-])cc(=O)o1 22242097 LBQAGRKCAGSGPA-UHFFFAOYSA-N 324.292 3.286 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1 5009869 KEGKYZZKYUCTDS-LLVKDONJSA-N 316.313 3.009 5 50 DGBA COc1ccc(-c2cc(O)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1 100610385 BJGHGOIGNNWKOR-UHFFFAOYSA-N 311.297 3.162 5 50 DGBA aggregator O=C(O[C@H]1C=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 71785742 VYMDTEMQEMYLDP-XIVGLXKZSA-N 309.321 3.294 5 50 DGBA O=[N+]([O-])c1ccc(N[C@@H]2CCCO[C@H]2c2ccncc2)c(F)c1 336937049 VECHDASKCWBYHQ-CVEARBPZSA-N 317.320 3.461 5 50 DGBA Cc1ccc(CNCc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] 277660198 GRPLYEPRTKSFRZ-UHFFFAOYSA-N 311.385 3.467 5 50 DGBA O=[N+]([O-])c1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 1313773 DLOMOIFOKNNPRG-UHFFFAOYSA-N 312.241 3.220 5 50 DGBA in-vitro COc1ccc(OC)c(CNc2cc([N+](=O)[O-])ccc2OC)c1 355387 TYKSFOKPTHMQHM-UHFFFAOYSA-N 318.329 3.233 5 50 DGBA CC1=C(C)C[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 100596368 RAEABGVBEUBZBQ-KBPBESRZSA-N 314.341 3.139 5 50 DGBA CC[C@H](C)n1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1C 362729974 STCSKHNAILHXKH-NSHDSACASA-N 316.361 3.631 5 50 DGBA CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 376601 POCJMMSJBXZOKD-VXGBXAGGSA-N 314.407 3.183 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cccnc1 3898121 ZFEJVXSAHPDNNL-UHFFFAOYSA-N 322.118 3.005 5 50 DGBA CCO[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 301691 VMRMFIBBRJFFHN-QRQCRPRQSA-N 321.269 3.226 5 50 DGBA COCc1ccc([C@H]2CCCN2c2cc(N)ccc2[N+](=O)[O-])o1 193502222 QYIOISYLIJZJBP-CQSZACIVSA-N 317.345 3.258 5 50 DGBA O=c1c2c(O)cccc2c2nccc3c4cc(O)ccc4n1c32 1875338041 MJNYTGVRMNDHEC-UHFFFAOYSA-N 302.289 3.003 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)cc(C)c1 619743 QOCOWFGSUZBRMF-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1[N+](=O)[O-] 2554022 OINGTKOILPMCRP-UHFFFAOYSA-N 321.205 3.152 5 50 DGBA Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 4059582 RWARGMBOMTZVGN-UHFFFAOYSA-N 300.105 3.017 5 50 DGBA O=[N+]([O-])c1ccc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 328599265 RCIZQUAHMRGYHH-CVEARBPZSA-N 302.374 3.380 5 50 DGBA O=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O 5049841 QASVSBOXFJIYFC-UHFFFAOYSA-N 304.327 3.031 5 50 DGBA COC(=O)c1cc(-c2ccc(F)c(OC)c2)cc([N+](=O)[O-])c1 97757076 HISYKLSCQYLJBQ-UHFFFAOYSA-N 305.261 3.196 5 50 DGBA O=C(COc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 5861967 LZLSKBIKERBVIX-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cl 1060034 CZHVENDPUHCMGJ-UHFFFAOYSA-N 322.752 3.009 5 50 DGBA CCOc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 2991434 OCBPEPYKIMPSPN-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 245565624 DTJPWBAYUZGVRI-BLLLJJGKSA-N 318.352 3.014 5 50 DGBA Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1 318267 RMIVXSMPXJKAKJ-UHFFFAOYSA-N 313.309 3.251 5 50 DGBA O=C(NCCc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 302699 ZOBNYGWEMCQWBX-UHFFFAOYSA-N 322.723 3.360 5 50 DGBA CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1 4287652 XPOFZYJUWZHERT-AWEZNQCLSA-N 322.361 3.373 5 50 DGBA Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4820524 CGMDQSOUQKBFTO-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA C[C@@]12CC[C@@H](C[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 4829351 MVTPHFKACRPZAF-FGEZKYSXSA-N 320.301 3.239 5 50 DGBA O=C(NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5443311 UPTRISCOVITFKL-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA O=[N+]([O-])c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1 174242396 JQLWXZDSLRDBIY-UHFFFAOYSA-N 304.268 3.000 5 50 DGBA O=[N+]([O-])c1cc(NC(=S)NCc2ccccc2)ccc1F 2141564 BOKAIGGNTVOWOJ-UHFFFAOYSA-N 305.334 3.221 5 50 DGBA O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccccc1 123058011 HBRPETLEDXZETI-UHFFFAOYSA-N 313.718 3.016 5 50 DGBA O=c1oc2ccccc2c2c1cnc1nc(-c3ccccc3)nn12 2325809641 SUFTYGRAXYEVEU-UHFFFAOYSA-N 314.304 3.051 5 50 DGBA O=C(NCCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 67838 KMPOBIKOKLWVJM-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA CSc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 612363 DCUUKXRFFWHQBV-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4039206 CPLHTUXRTLAQAD-NSHDSACASA-N 316.313 3.009 5 50 DGBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC1 4542658 MAIMCBOWPGXVFF-UHFFFAOYSA-N 314.341 3.410 5 50 DGBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2=O 4870046 PUTUBXBUKPQVCP-SJORKVTESA-N 316.357 3.319 5 50 DGBA Cc1cc(C[C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n[nH]1 193029588 BUDLOAZHVHMIJO-APPDUMDISA-N 314.389 3.225 5 50 DGBA O=[N+]([O-])c1ccc(CSc2nc(-c3ccco3)n[nH]2)cc1 5731211 WTKPWQTVKSARCV-UHFFFAOYSA-N 302.315 3.265 5 50 DGBA O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 4998360 ZORCIVOIAYKGED-UHFFFAOYSA-N 315.329 3.430 5 50 DGBA O=[N+]([O-])c1c(I)cccc1C(F)(F)F 238573626 OEVVUUXNAZYYMC-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)c1nccs1 163250463 RDTOGVKVJHKHDQ-SNVBAGLBSA-N 320.374 3.285 5 50 DGBA COc1ccc(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 447748 HPQYHQIJQFSROF-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA CC(C)(C)OC(=O)N1CCC(Oc2cccc([N+](=O)[O-])c2)CC1 60273919 AXAXKDMYYJZOKN-UHFFFAOYSA-N 322.361 3.373 5 50 DGBA O=[N+]([O-])c1ccc(CCN[C@H]2CCO[C@@H]2c2ccccc2)cc1 191955072 PWFGQAISFDDHKJ-ZWKOTPCHSA-N 312.369 3.257 5 50 DGBA O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl 441649 ISMKVCNWPHLKAZ-UHFFFAOYSA-N 308.696 3.317 5 50 DGBA COc1ccc(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 474994 FODVBOGXJSWDEV-UHFFFAOYSA-N 318.304 3.314 5 50 DGBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccnc1 306781 WWRKLHNDFBAGHT-GQCTYLIASA-N 303.705 3.295 5 50 DGBA CC(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 2950980 LPOAAPRLBPOQAU-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA O=C(COc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 4037071 LIMCTONJDXADFX-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA COc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc(F)cc1F 122082634 CVVLNKRSCBIRTL-UHFFFAOYSA-N 323.251 3.143 5 50 DGBA CCOc1cc(C(=O)O)ccc1OCc1cccc([N+](=O)[O-])c1 227156705 LFHKGUVUSYSLAQ-UHFFFAOYSA-N 317.297 3.271 5 50 DGBA Cc1cc(NC(=O)N(C)CCC2CCOCC2)ccc1[N+](=O)[O-] 184603461 FNZYJGVFGXKQBY-UHFFFAOYSA-N 321.377 3.184 5 50 DGBA CCOC(=O)[C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 39401193 AJBKHKJPOVZUOE-HNNXBMFYSA-N 301.298 3.278 5 50 DGBA O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2)cc1Br 2575843 XHAWDQSJEQTQJF-UHFFFAOYSA-N 316.542 3.256 5 50 DGBA O=C(Nc1ccc(Cl)cn1)Nc1cc([N+](=O)[O-])ccc1F 3091355 HTVGIERITPRJEI-UHFFFAOYSA-N 310.672 3.426 5 50 DGBA O=c1c2ccc(Cl)cc2ncn1Cc1ccc([N+](=O)[O-])cc1 3124336 BPWVKVDZTUUILU-UHFFFAOYSA-N 315.716 3.006 5 50 DGBA CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 215629422 MDOGSZWPMOUNOS-UHFFFAOYSA-N 301.302 3.135 5 50 DGBA CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc12 212647 ZDKLLWHULUEJNW-UHFFFAOYSA-N 319.744 3.399 5 50 DGBA O=[N+]([O-])c1ccccc1OCCCCSc1ncccn1 5013438 VQFYWPYVFMJYLP-UHFFFAOYSA-N 305.359 3.336 5 50 DGBA O=[N+]([O-])c1cc(Cl)[n+]([O-])c(Nc2ccc(Cl)cc2)c1 4947522 IKDXZSIISZUQCX-UHFFFAOYSA-N 300.101 3.279 5 50 DGBA CC[N+](C)(CC)CC[C@H](C)OC(=O)[C@H]1OCCc2ccccc21 823478847 OBFOTZFVHPWCDH-YJBOKZPZSA-N 320.453 3.109 5 50 DGBA O=C(COc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4036982 OCMQVFXEDROBPS-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1=CCCCC1 4978648 QNBFTBSFUBCUDL-UHFFFAOYSA-N 324.402 3.072 5 50 DGBA Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 4982109 DDXYFKKRNFXWSM-UHFFFAOYSA-N 321.336 3.425 5 50 DGBA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1Cc1ccccc1 105413276 BZSAEJZNGHWAAN-INIZCTEOSA-N 309.325 3.176 5 50 DGBA Cc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)sc1C 161925971 ZQTYJNCBXJBRMM-UHFFFAOYSA-N 305.359 3.158 5 50 DGBA Cc1c(Cn2ccnc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] 170619688 GHIAODGBNVKNIT-UHFFFAOYSA-N 321.336 3.379 5 50 DGBA O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2cccc(Oc3ccccc3)c2)N1 122538 YXGFMZDPQSGLHY-WBVHZDCISA-N 312.325 3.075 5 50 DGBA CN(C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 234500 RTRVJEAWGUXYQR-UHFFFAOYSA-N 313.401 3.159 5 50 DGBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1 439345 OSZGCLSMWWSHFK-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA CCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 444455 QLOWHNDLUBXAMO-UHFFFAOYSA-N 317.301 3.179 5 50 DGBA O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 296310 SKRWQTIWMXUKBU-MRXNPFEDSA-N 314.366 3.369 5 50 DGBA O=C(Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 1056518 MVBBVNQWNCGZMQ-UHFFFAOYSA-N 322.118 3.005 5 50 DGBA CCN(CC)CCN(CC)Cc1cc([N+](=O)[O-])ccc1Cl 2498447 KRSFNUGHBZTYJF-UHFFFAOYSA-N 313.829 3.412 5 50 DGBA CCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4844794 XIWLFHUOFMMGSH-UHFFFAOYSA-N 320.370 3.266 5 50 DGBA COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 4905296 DMKYSRNUHFEHKW-KGLIPLIRSA-N 312.325 3.346 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 4964429 WDLBGMIGNCVGGX-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3152018 WSDHQVWNYXYMCJ-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA biogenic CCOC(=O)[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] 55292333 FRFAJJXCQRURMU-MNDMWVCDSA-N 318.373 3.026 5 50 DGBA COc1ccc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 476323 NSZJFBAQOMTOTO-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@H]1c1nnc[nH]1 294887028 FTHAHRUVTNLDCF-NSHDSACASA-N 307.741 3.098 5 50 DGBA COc1cccc2c1oc(=O)c1c(N)nc3c(c12)C[C@H](C)CC3 54531 UIZDRDNLLBBVDN-SECBINFHSA-N 310.353 3.057 5 50 DGBA biogenic Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 3832974 WTNQCUBQGHMFCB-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2cccnc2)ccc1O 5033025 LHEBYXWGXVRHGX-HNNXBMFYSA-N 313.357 3.423 5 50 DGBA O=[N+]([O-])c1cc(I)cc(C(F)(F)F)c1 2529914 BANTUHUNKDGMCA-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA in-vitro CCOc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 34461 GIJFMVRFLAXIGY-UHFFFAOYSA-N 300.270 3.352 5 50 DGBA Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 408226287 MWWPNCAPKLTJCC-HIFRSBDPSA-N 317.389 3.145 5 50 DGBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 88674 RKEMYJMNUZMLAS-KRWDZBQOSA-N 309.325 3.292 5 50 DGBA CCOC(=O)c1c(C)nsc1Nc1ccc([N+](=O)[O-])cc1 4151082 WBBYZBDNVMDCGS-UHFFFAOYSA-N 307.331 3.280 5 50 DGBA CCOc1ccc(NC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 4423258 ZJDMCNZRVWOZKL-UHFFFAOYSA-N 304.277 3.385 5 50 DGBA Cc1c(C(=O)NCCSCc2ccco2)cccc1[N+](=O)[O-] 2990114 YWAVTPALXLLIII-UHFFFAOYSA-N 320.370 3.159 5 50 DGBA COc1cc(F)c([C@H](C)Nc2ncccc2[N+](=O)[O-])cc1OC 265089213 AUPYTGDRJQWMRM-VIFPVBQESA-N 321.308 3.319 5 50 DGBA O=[N+]([O-])c1ccc(NN2CCCCC2)c(Br)c1 148245583 VWTKVCJPUOVYFJ-UHFFFAOYSA-N 300.156 3.170 5 50 DGBA CC(=O)Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 447642 KGTNXADZMQQPRJ-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA CC1(C)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4947860 XJCZJULHSWUVIZ-QMMMGPOBSA-N 313.151 3.342 5 50 DGBA C[C@@H](Oc1cccnc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 170615478 HPNJMXGRNWRWOF-SNVBAGLBSA-N 312.285 3.180 5 50 DGBA Cc1cc(OCCCCN2C[C@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] 14083960 FBRBKTKKCNXOFU-GASCZTMLSA-N 322.405 3.171 5 50 DGBA O=C(NCc1ccco1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2670041 DWYVGMOLLRXPCY-UHFFFAOYSA-N 312.281 3.378 5 50 DGBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)o1 3897751 DNXDROBUXJZPOS-UHFFFAOYSA-N 311.091 3.203 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCCO2 4982248 QRBFUGWCRLQBFO-UHFFFAOYSA-N 300.314 3.287 5 50 DGBA C[C@@H]1C[C@@H](SC2CCC([N+](=O)[O-])CC2)CC[C@@H]1[N+](=O)[O-] 44126550 LBGFSCJRIVPHOV-ZMZXKLSGSA-N 302.396 3.141 5 50 DGBA CC(=O)Oc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 98478 HGILCKQGSQIXOY-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA COC(=O)c1ccccc1N[C@H](OC)c1cccc([N+](=O)[O-])c1 2141247 SMSMAGCNGZJGIP-OAHLLOKOSA-N 316.313 3.139 5 50 DGBA C[C@@H]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 4007903 WUWILQZPXWWLBC-RHSMWYFYSA-N 303.406 3.296 5 50 DGBA CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1ccccc1[N+](=O)[O-])C2 261508117 PWUDSGZDTUJUSB-CLLJXQQHSA-N 319.361 3.159 5 50 DGBA CCOc1ccccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 376220 JIGPRSMVFGNVOA-UHFFFAOYSA-N 304.277 3.385 5 50 DGBA CCOc1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 4342051 HFUFWIUTXZAKCP-UHFFFAOYSA-N 316.313 3.011 5 50 DGBA Cc1c(NS(=O)(=O)c2ccccc2)ccc([N+](=O)[O-])c1C 5000177 FSBBUUDVSOYOEF-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1ccccc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 55543058 ZEBFCTMOCHTCQQ-UHFFFAOYSA-N 311.385 3.225 5 50 DGBA CCn1cc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1 17054246 DJSLYTIGNVZZSX-JTQLQIEISA-N 317.349 3.002 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1NCc1cn2c(n1)SCC2 408516819 JHMAMZFYAIDLLE-UHFFFAOYSA-N 310.766 3.163 5 50 DGBA O=C(CC(=O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5344534 WHQJICPBKAYNCN-UHFFFAOYSA-N 308.677 3.053 5 50 DGBA O=C(COc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 449624 GJSVKHITKWOEHW-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA Nc1ncnc(N(c2ccccc2)C2CCCCC2)c1[N+](=O)[O-] 3912611 IXHUUJFDOCSJDW-UHFFFAOYSA-N 313.361 3.438 5 50 DGBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 215047 XRYAGGCLDGQPOK-UHFFFAOYSA-N 300.192 3.459 5 50 DGBA Cc1ccc(C)c(NC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1 1067729 CIXXPXHOSPLNPD-CYBMUJFWSA-N 316.361 3.225 5 50 DGBA O=[N+]([O-])c1cc(Br)c(F)c(C(F)(F)F)c1O 94986224 MWZVZNTWIAKZED-UHFFFAOYSA-N 303.993 3.221 5 50 DGBA in-vitro CSc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027809 VDQQDCBCQJBBRI-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA Cc1nc2cc([N+](=O)[O-])ccc2c(=O)n1-c1ccc(Cl)cc1 186943 PWKPZWYKOSHDLE-UHFFFAOYSA-N 315.716 3.256 5 50 DGBA O=C(O)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23 3145708 JGRDRFCADRXNEJ-UHFFFAOYSA-N 314.300 3.290 5 50 DGBA O=[N+]([O-])c1ccc(NC2CCC(O)(c3ccccc3)CC2)nc1 273958601 NPXKJVXWSLISTK-UHFFFAOYSA-N 313.357 3.232 5 50 DGBA C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 269205499 UDUYWICWCBILKN-HFAKWTLXSA-N 304.346 3.094 5 50 DGBA Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c([N+](=O)[O-])c1 5009669 WALBVUSAHPLUPH-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA COc1ccc(C=O)cc1COc1ccc(C)cc1[N+](=O)[O-] 35790 ANVVHXVNYURAKK-UHFFFAOYSA-N 301.298 3.303 5 50 DGBA Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 55543045 XLDNRTWNJZUNND-UHFFFAOYSA-N 311.385 3.225 5 50 DGBA O=[N+]([O-])c1ccc(Br)cc1NN1CCCCC1 148238822 KKEPWWWBEDXGIF-UHFFFAOYSA-N 300.156 3.170 5 50 DGBA O=[N+]([O-])c1ccc(C(F)(F)F)c(I)c1 238572149 GXQIWTSUPAYASC-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA CCOC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 73446 HCIONVLJHPOJAT-UHFFFAOYSA-N 301.298 3.351 5 50 DGBA C[C@@H]1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4170506 OGZVPWVHKLFRRJ-WBVHZDCISA-N 317.433 3.291 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)n1cnc2ccccc21 193060947 NEAKOZPLNMCTBX-LBPRGKRZSA-N 324.340 3.453 5 50 DGBA Cc1nn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Cl 138223 WLTFOPHHGYGZPN-UHFFFAOYSA-N 314.128 3.403 5 50 DGBA O=[N+]([O-])c1cc(Br)cnc1NCc1ccccc1 39956553 IAWNGUVINRYLKT-UHFFFAOYSA-N 308.135 3.364 5 50 DGBA CC1(C)C(=O)C2(CCCC2)C(=O)O[C@H]1c1cccc([N+](=O)[O-])c1 467709 QIFOVKFCBXVTHA-ZDUSSCGKSA-N 317.341 3.348 5 50 DGBA CC[C@H](Sc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 620776 VULGQVCUSZRRMR-ZDUSSCGKSA-N 317.370 3.499 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1Nc1ccc2nonc2c1[N+](=O)[O-] 3879025 YNJKUSRIRXSYLT-UHFFFAOYSA-N 315.245 3.091 5 50 DGBA C[C@@H](CCc1ccccc1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 4811451 OYQXFOCKMWBHCC-KBXCAEBGSA-N 314.385 3.239 5 50 DGBA Cc1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C)n2)cs1 275065530 XODOCISEDRRMLM-CYBMUJFWSA-N 304.375 3.405 5 50 DGBA CCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1 4109743 UINVRURAUUPYSF-UHFFFAOYSA-N 321.720 3.294 5 50 DGBA aggregator Cc1c(C(=O)Nc2cccc3nsnc23)cccc1[N+](=O)[O-] 4777335 JZQICZXBVJHGNL-UHFFFAOYSA-N 314.326 3.160 5 50 DGBA Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1F 5050258 BPDVEEMGBRBHRP-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA COc1ccc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 85416 ZOQQCZISPPWPTJ-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA O=C(Oc1ccc(-c2ccccc2)nn1)c1ccccc1[N+](=O)[O-] 1061544 UIEPKDBZMIXYNX-UHFFFAOYSA-N 321.292 3.271 5 50 DGBA Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4656803 VDNULNJIJDGEHU-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4893741 ZRXFTDBTLUPDIR-UHFFFAOYSA-N 320.732 3.438 5 50 DGBA O=C1CSc2ccc([N+](=O)[O-])cc2N1Cc1ccccc1F 86533 SOWMYYGCOYCCKG-UHFFFAOYSA-N 318.329 3.373 5 50 DGBA Cc1cc([N+](=O)[O-])cc(C)c1NS(=O)(=O)c1ccccc1 71769586 LSKOAJUETCTDEH-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA O=C(NCCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 168455 DVDKJWSNSOIDGJ-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA Cc1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 271625 PDFQBOINVLVHBJ-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA COc1ccccc1OCCOc1ccc(C)cc1[N+](=O)[O-] 2985500 FAIUBGGVLIPYKR-UHFFFAOYSA-N 303.314 3.370 5 50 DGBA COC(=O)c1cc(-c2cccc(OC)c2)c(OC)c([N+](=O)[O-])c1 97757372 JYPIXYODZRQUIS-UHFFFAOYSA-N 317.297 3.066 5 50 DGBA Cc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cc3ccccc32)cc1 261494310 UQSBORGGAUVMSE-UHFFFAOYSA-N 316.338 3.095 5 50 DGBA Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 193174 ZMPAJQFBLHHVAL-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 859125 CKMHNOHNFIWQQR-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1 2807645 XYSXDEGGUDLZAR-UHFFFAOYSA-N 304.733 3.107 5 50 DGBA Nc1ccc(OCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] 225823855 NIOHQABJMJDGLL-UHFFFAOYSA-N 308.721 3.288 5 50 DGBA C=CSc1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-] 35350899 IIQGITRLJDNGTC-UHFFFAOYSA-N 306.796 3.382 5 50 DGBA CCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 444521 QHJQMVOBHDFPBA-UHFFFAOYSA-N 313.313 3.196 5 50 DGBA CC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 188229 RNHVDIFZPOGVSE-JXMROGBWSA-N 310.309 3.449 5 50 DGBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C 38368 JUZIWZVWYCSLQJ-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(NCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2864984 DQLZDLIFGIQMJF-UHFFFAOYSA-N 320.732 3.057 5 50 DGBA Cc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1[N+](=O)[O-] 177844324 NLKQTCIIJNOWHM-SNVBAGLBSA-N 319.748 3.443 5 50 DGBA O=C(O)/C=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 2599584 ITJRULPLDXQEKP-BQYQJAHWSA-N 309.281 3.007 5 50 DGBA CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 2563900 XPOFZYJUWZHERT-CQSZACIVSA-N 322.361 3.373 5 50 DGBA C[C@H]1SCCN(c2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1C 225400390 AXZARIMRLKMQCH-GHMZBOCLSA-N 303.387 3.473 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 1673526 LMGCNSZBVIPYHM-UHFFFAOYSA-N 302.246 3.147 5 50 DGBA biogenic C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 455815 FZPQHQLHDMGHEV-SNVBAGLBSA-N 304.277 3.140 5 50 DGBA CSc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 2813008 QGCIRYUQRUBXNU-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA CCc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4056356 CTTHXFVKCKCREK-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCC(N3CCCCC3)CC2)c1 4986660 ICGMRTNRTLTYQV-UHFFFAOYSA-N 303.406 3.045 5 50 DGBA CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2873001 LQHXZSIKVOJCQA-UHFFFAOYSA-N 314.407 3.088 5 50 DGBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 303613 HVEUPMXBYQTLGZ-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(Nc1ccccc1[N+](=O)[O-])OCCOc1ccccc1 4771132 OSTZZTQEDMBKCR-UHFFFAOYSA-N 302.286 3.222 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccs1 4904074 WJKLEBYPHLKQBF-FNORWQNLSA-N 304.327 3.317 5 50 DGBA CC(C)(C)SCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2989629 GMKDELJLYVOQBH-RMKNXTFCSA-N 308.403 3.256 5 50 DGBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 4032147 UDEGPZQRLIYDLV-UHFFFAOYSA-N 313.338 3.446 5 50 DGBA Cc1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1C 4040110 REJHZMIXXBNITR-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 153881477 LBQMVKBOMYYNSP-CYBMUJFWSA-N 321.764 3.203 5 50 DGBA CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1227518 PDOMVFAITLCDGS-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccs1 4104336 PHVBIWGOBOCOLM-UHFFFAOYSA-N 321.383 3.092 5 50 DGBA COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)OCC2 6668144 JZPAUVNVSYPVBB-QGZVFWFLSA-N 315.325 3.274 5 50 DGBA COc1cc(Nc2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-] 4981670 NAWUVGVTDMMZCQ-UHFFFAOYSA-N 324.680 3.304 5 50 DGBA O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2nccnc2c1 122860593 MCCOJVYEIBXKJJ-UHFFFAOYSA-N 322.324 3.109 5 50 DGBA Cc1cc(C[C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n[nH]1 193029599 BUDLOAZHVHMIJO-DIFFPNOSSA-N 314.389 3.225 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)o1 256003 CQVIANVPZYKEAW-UHFFFAOYSA-N 311.091 3.203 5 50 DGBA O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccsc1)CCC2 192886522 FEHSHWYPVUQOGN-JKSUJKDBSA-N 318.398 3.357 5 50 DGBA COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12 2168596 FAYVAXYICXQWOP-UHFFFAOYSA-N 318.350 3.257 5 50 DGBA COc1cccc(OC)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 461391 PCKHTNYOEGCZOF-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=C(Nc1ccccc1)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775356 FSHSXONWMHVOLV-UHFFFAOYSA-N 322.324 3.092 5 50 DGBA COc1cccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])c1OC 276191 WNLXHAIVUGPIHK-MRXNPFEDSA-N 313.309 3.455 5 50 DGBA CCc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 38631 APBMVTCBXHZSBJ-UHFFFAOYSA-N 301.298 3.142 5 50 DGBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 288317 CSBUZMGXYUJXJU-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA COc1c(Br)ccc(Br)c1[N+](=O)[O-] 2173515 WTFPAYUWXSOEBN-UHFFFAOYSA-N 310.929 3.128 5 50 DGBA Cc1cc(NCc2cc[nH]n2)c(Br)cc1[N+](=O)[O-] 225589164 YXVWGRZXVDOUTK-UHFFFAOYSA-N 311.139 3.001 5 50 DGBA C[C@H]1CCSCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] 192353705 YFRARNVMXUEPSQ-VIFPVBQESA-N 314.794 3.216 5 50 DGBA CN(C)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 306095 BEENXQLLXJIQML-UHFFFAOYSA-N 300.314 3.018 5 50 DGBA CC(C)(C[N+](=O)[O-])c1ccc(S(=O)(=O)c2ccccc2)cc1 3086335 UDIUAKAUCQVXAI-UHFFFAOYSA-N 319.382 3.074 5 50 DGBA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 185580 DFEUJLWUCFSYFQ-GFCCVEGCSA-N 323.352 3.437 5 50 DGBA biogenic O=[N+]([O-])c1c(F)cc(Br)c(F)c1Br 263623059 DITJMITVLBJYRN-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 455814 FZPQHQLHDMGHEV-JTQLQIEISA-N 304.277 3.140 5 50 DGBA Cc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1[N+](=O)[O-] 463768 VDGMSTATSAGKGK-UHFFFAOYSA-N 306.347 3.130 5 50 DGBA COc1ccc(NC(=O)c2cc(C)ccc2C)c([N+](=O)[O-])c1 4702890 NKYPJVQSBCRDAV-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA CCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1396286 DSOBAQPVFHAKRU-POHAHGRESA-N 312.734 3.304 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 3897744 SBDMJAQYKSKTRC-UHFFFAOYSA-N 322.118 3.005 5 50 DGBA Cc1ccc(NC(=O)COc2ccccc2C)c([N+](=O)[O-])c1 5092994 CRJYZNYRXRUJKF-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 282212 HVJANKODBPSMRO-QGZVFWFLSA-N 309.325 3.292 5 50 DGBA COc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 2906416 UMYBGMSSAOITHF-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA CC(C)=CCSc1nnc2nc3[nH]c4ccccc4c3nn12 5817059 GOGXXRZFIGGLRC-UHFFFAOYSA-N 310.386 3.212 5 50 DGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc12 556483 HQXWRFZVBMMQQG-UHFFFAOYSA-N 323.308 3.161 5 50 DGBA CC1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4803838 SLXAYXUGCFSKLL-UHFFFAOYSA-N 317.433 3.291 5 50 DGBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 314568 VIYBXUCCMDPRGP-UHFFFAOYSA-N 302.355 3.467 5 50 DGBA O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1313014 FNJZWSYKDYMFPB-UHFFFAOYSA-N 305.202 3.204 5 50 DGBA COc1ccccc1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 311394 SBVLUBVAZPYTGC-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA O=C(Nc1ccccc1N1CCCC1)c1cccc([N+](=O)[O-])c1 463828 SQLZUBJHAUIIFT-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA COc1ccccc1OCCCOc1ccccc1[N+](=O)[O-] 2906232 LYTNNEWVARNPER-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA C[C@@H](CCc1ccccc1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 4811448 OYQXFOCKMWBHCC-KSSFIOAISA-N 314.385 3.239 5 50 DGBA Cc1ccc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 2762663 SNSUBSVBXVPFBX-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CCN(C(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 8744290 FNQPVVLJDFITBU-UHFFFAOYSA-N 317.370 3.135 5 50 DGBA O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]3CCCC[C@@H]31)OCO2 23281622 KOIFVPRELHHJSH-OCCSQVGLSA-N 318.373 3.478 5 50 DGBA O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc12 292563 VVTOWPARBGUDAE-UHFFFAOYSA-N 302.673 3.417 5 50 DGBA Cc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 4551445 NDBCSAGWCBHMJB-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA Cc1ccc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 127832965 UUNWTQYACBAOQK-LLVKDONJSA-N 304.302 3.457 5 50 DGBA COC(=O)c1cc(C)sc1NC(=O)c1ccccc1[N+](=O)[O-] 4750121 MVSQJNGJWPJKSG-UHFFFAOYSA-N 320.326 3.004 5 50 DGBA O=[N+]([O-])c1cccc(CCNc2ncnc3ccc(F)cc23)c1 170590968 YKVNYVPHJDQOCK-UHFFFAOYSA-N 312.304 3.332 5 50 DGBA CC(C)N(CC(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl 269149446 KXTASTWBCDPHLR-UHFFFAOYSA-N 306.696 3.364 5 50 DGBA C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 189305 IYYZQBYMUSUVPU-NXEZZACHSA-N 320.370 3.059 5 50 DGBA COc1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC 32205148 XXDDMIHATJPELH-UHFFFAOYSA-N 301.298 3.037 5 50 DGBA CC(=O)c1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2886410 AIEGEIZNQGMOMG-UHFFFAOYSA-N 312.325 3.482 5 50 DGBA O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 3121898 KCDCLERXGUABSG-UHFFFAOYSA-N 318.716 3.460 5 50 DGBA O=[N+]([O-])c1ccc2c(c1)c1c[n+]([O-])ccc1n2Cc1ccccc1 22205320 IDEGUGBOUPEJMM-UHFFFAOYSA-N 319.320 3.384 5 50 DGBA Cc1ccnc(N2CCC[C@H](c3ccncc3)CC2)c1[N+](=O)[O-] 1616037148 AAIPNFFRSMRSMT-AWEZNQCLSA-N 312.373 3.467 5 50 DGBA O=C(CSc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 45559 JBMBIKYUDFBJCG-UHFFFAOYSA-N 313.338 3.446 5 50 DGBA CO[C@H](C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 164489523 ROZQXUYIKTVLIZ-SNVBAGLBSA-N 316.313 3.260 5 50 DGBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccc1C(C)(C)C 170619300 DXASMDZMEDGUJY-UHFFFAOYSA-N 316.361 3.036 5 50 DGBA O=[N+]([O-])c1ccc(NCCCc2cc[nH]n2)nc1-c1ccccc1 170606501 HVRNLLKXGABXBL-UHFFFAOYSA-N 323.356 3.425 5 50 DGBA CCn1cc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1 5041873 RPIGOGKZMMYQHP-JTQLQIEISA-N 317.349 3.002 5 50 DGBA O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccn3)no2)c1 70423 WFDDATFBTRCTKM-UHFFFAOYSA-N 302.677 3.360 5 50 DGBA CCOc1ccc(NC(=O)Cc2cccs2)c([N+](=O)[O-])c1 4749556 SYPYSLQKWJGYCS-UHFFFAOYSA-N 306.343 3.236 5 50 DGBA CC1(C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 123438327 OAILVKZRSWEJHU-UHFFFAOYSA-N 324.336 3.055 5 50 DGBA COc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 252462363 RTMOHIUWLIAADG-POAQFYNOSA-N 318.437 3.261 5 50 DGBA biogenic CSc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 571644 SURHKFOGBBUMLP-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCN(c2ccccc2F)CC1 55543372 PNMYQLPANCWAKI-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 55543786 JFNUACLCKBGXTM-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA O=[N+]([O-])c1cnc(NC2CCN(c3ccccc3)CC2)s1 195510521 ICNAUQMRENOTEQ-UHFFFAOYSA-N 304.375 3.132 5 50 DGBA Cc1ccsc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19536655 WDXYZYWXAJPEGT-UHFFFAOYSA-N 317.414 3.287 5 50 DGBA COc1cc(C)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2991064 PZAYLAZRKHGTCX-UHFFFAOYSA-N 303.314 3.370 5 50 DGBA CCCCN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 15010959 CCLCOYJNPCGMSH-WQLSENKSSA-N 322.342 3.137 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 2853626 QZALBQGCDGAQSA-UHFFFAOYSA-N 315.285 3.010 5 50 DGBA C[C@@H]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 178692 RFNWBFJIRUPYHH-NVXWUHKLSA-N 317.433 3.291 5 50 DGBA Cc1c(CNc2cccc(Cl)c2C(N)=O)cccc1[N+](=O)[O-] 172940544 UMBSGZNKQYBSSL-UHFFFAOYSA-N 319.748 3.268 5 50 DGBA O=C1CN=C(c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc2N1 5512274 NBGGBXRHSZPWKW-UHFFFAOYSA-N 315.716 3.038 5 50 DGBA C[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 472009 KYWAIBLUSKFSAM-JTQLQIEISA-N 314.297 3.066 5 50 DGBA COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@H]3C[N@@+]1(C)CC2 247536844 ACFBTUAMHMCOQE-IDENBPMYSA-N 300.422 3.344 5 50 DGBA O=Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] 169725293 ILOXTTPMYQEZJZ-UHFFFAOYSA-N 317.141 3.279 5 50 DGBA O=C(CCCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 4039906 MLTYKRVEWOGWOS-UHFFFAOYSA-N 300.314 3.393 5 50 DGBA Cc1cccc(Oc2nc(C(C)C)nc(N(C)C)n2)c1[N+](=O)[O-] 270933633 DCIHFNIWQAZBFZ-UHFFFAOYSA-N 317.349 3.070 5 50 DGBA O=[N+]([O-])c1cc(Br)ccc1N1CCC(F)(F)C1 169725431 RORPZWVEWUAWDQ-UHFFFAOYSA-N 307.094 3.203 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccccc1 4599011 LPRYVGITCMYHIO-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA Cn1ccnc1Sc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 4846034 ZSVOTDPCICFGDT-UHFFFAOYSA-N 318.402 3.470 5 50 DGBA C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 4907436 AUMSCPGERKJQOK-SNVBAGLBSA-N 304.277 3.140 5 50 DGBA O=Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 780210 PDCAEIBQWJAKHA-UHFFFAOYSA-N 305.673 3.280 5 50 DGBA COC(=O)[C@H](C)CSc1cc(OC)c([N+](=O)[O-])cc1Cl 596128268 GNYXVLGBNJXYPI-SSDOTTSWSA-N 319.766 3.158 5 50 DGBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 331109 JLEWIIIFJYVHHA-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA O=[N+]([O-])c1ccccc1OCCCOc1ccccc1[N+](=O)[O-] 2164711 QFTHUUKTCANIBG-UHFFFAOYSA-N 318.285 3.351 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 4902896 XHUBXRIZJCFAQX-KGLIPLIRSA-N 312.325 3.346 5 50 DGBA Cn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4369860 PIIGTOZMWMCWKU-DHZHZOJOSA-N 307.309 3.012 5 50 DGBA COc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1 609871 CZUGYJJSQZAZIB-UHFFFAOYSA-N 317.301 3.256 5 50 DGBA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 3895516 WHDVTOHVLBQCAP-UHFFFAOYSA-N 300.358 3.293 5 50 DGBA CCc1nccn1[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 122948175 SKEYRWCPEYXVKY-LBPRGKRZSA-N 318.352 3.334 5 50 DGBA CC(=O)c1ccc(OC[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1 191365347 FKKXZEHMHFLYKM-OAHLLOKOSA-N 307.346 3.117 5 50 DGBA Cc1cccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 38886 FXZMZMVBPSLAEQ-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 242263384 XYNZMAOSQYJPRR-UHFFFAOYSA-N 307.331 3.438 5 50 DGBA CC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 193218 PXQXVVLXSWFXLW-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 317164 KUZDKJPDXJRULI-HNNXBMFYSA-N 313.309 3.413 5 50 DGBA O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1 4757784 BPLAMKJMGIAXNJ-UHFFFAOYSA-N 320.370 3.317 5 50 DGBA Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 312994 WCXWRQHRYBYAMT-LBPRGKRZSA-N 313.309 3.331 5 50 DGBA O=c1c(Cl)cc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1 263622987 CRKZTOWNUCTROF-UHFFFAOYSA-N 318.638 3.418 5 50 DGBA O=C(Nc1ccccc1N1CCCC1)c1ccccc1[N+](=O)[O-] 464084 HVUZGWPIVVILJV-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA O=C(Nc1nnc(C2CCCC2)s1)c1ccc([N+](=O)[O-])cc1 620390 WLIRADZQVGGGLV-UHFFFAOYSA-N 318.358 3.356 5 50 DGBA O=C(Nc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122590 KFXKSRGNOXYADH-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA CCn1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O 4141549 GICUDSHECYQJKN-VQHVLOKHSA-N 311.297 3.088 5 50 DGBA C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 2568266 YATKDADIXNBBCZ-JTQLQIEISA-N 316.269 3.421 5 50 DGBA O=[N+]([O-])c1ccccc1N[C@@H]1CCCN(CC(F)(F)F)C1 253426754 AUBQBNMUOAXNQU-SNVBAGLBSA-N 303.284 3.033 5 50 DGBA O=[N+]([O-])c1ccc2c(C3=CCC4(CC3)OCCO4)c[nH]c2c1 108257634 MQWGYXCBKCLDOB-UHFFFAOYSA-N 300.314 3.387 5 50 DGBA Cc1cc(N2CCC[C@@H](c3ccncc3)CC2)ncc1[N+](=O)[O-] 952994133 MHGOFBWPJRARMF-CQSZACIVSA-N 312.373 3.467 5 50 DGBA N=c1[nH]c(SCc2cc3ccccc3s2)ncc1[N+](=O)[O-] 1875358498 XZGCGHNUOAVWFH-UHFFFAOYSA-N 318.383 3.304 5 50 DGBA C[C@@H]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 178698 RFNWBFJIRUPYHH-WBVHZDCISA-N 317.433 3.291 5 50 DGBA CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 436592 SWPYJOOVJRRNBY-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc([N+](=O)[O-])cc1 613347 GTTCJFYUBQWMJG-HNNXBMFYSA-N 313.313 3.194 5 50 DGBA OCCN1CCN(Cc2c3ccccc3cc3ccccc23)CC1 19633383 SPDGPTKOTPMZBV-UHFFFAOYSA-N 320.436 3.103 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])o1 2494007 ZOKDXQKNSWXTLH-UHFFFAOYSA-N 311.637 3.002 5 50 DGBA Cc1csc(N(C(=O)c2ccc([N+](=O)[O-])cc2C)C2CC2)n1 151069386 CFFCCGJYYXZUQP-UHFFFAOYSA-N 317.370 3.477 5 50 DGBA O=C(Nc1ccc(C(=O)O)cc1)Nc1cc([N+](=O)[O-])ccc1F 1753500 VTLIRXXUEMYBOG-UHFFFAOYSA-N 319.248 3.076 5 50 DGBA CC1(C)Nc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O 238007 RVZPHRADTLXPLS-UHFFFAOYSA-N 311.341 3.332 5 50 DGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 446958 KNUIUEBVOMTHRS-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA O=C(CCNc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 6045200 AWYYBGWAWXNIPZ-UHFFFAOYSA-N 314.297 3.008 5 50 DGBA COc1ccc([C@H](O)CNc2cc(Cl)ccc2[N+](=O)[O-])cc1 225387694 XXUAYAOTOHOPMS-OAHLLOKOSA-N 322.748 3.402 5 50 DGBA O=[N+]([O-])c1ccc(C(F)(F)F)cc1I 8698345 DRNCDZZOQNMQAS-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA in-vitro O=[N+]([O-])c1cc(F)c(Br)cc1OCC(F)(F)F 169800496 NMFYOYCHUIFMEB-UHFFFAOYSA-N 318.020 3.438 5 50 DGBA COc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3)no2)c1 289924 RRQYTECQODXOEP-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA CN(C(=O)c1ccnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 348035066 OSAMMMQBPPUHJC-UHFFFAOYSA-N 322.324 3.057 5 50 DGBA COc1cc(Br)c(Br)c([N+](=O)[O-])c1 2173621 PIVVFYZPCVAFMY-UHFFFAOYSA-N 310.929 3.128 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1C[C@H]2C=C[C@H]1C2 298397506 GLDMHTOAIDAQLR-QXEWZRGKSA-N 324.283 3.347 5 50 DGBA O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl 462184 GGTATBDKJAEPPE-UHFFFAOYSA-N 304.733 3.107 5 50 DGBA CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 2761730 IGTXOCJARBJISV-MRXNPFEDSA-N 314.341 3.241 5 50 DGBA CC1CCC(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 4170515 PVENCKLVDNSYBW-UHFFFAOYSA-N 317.433 3.291 5 50 DGBA Cc1cc(C[C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n[nH]1 193029610 BUDLOAZHVHMIJO-GTNSWQLSSA-N 314.389 3.225 5 50 DGBA O=c1c2cc(Cl)ccc2ncn1Cc1ccccc1[N+](=O)[O-] 5717333 APZMYOLGRGQCOL-UHFFFAOYSA-N 315.716 3.006 5 50 DGBA O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc12 97187 BUZAARXBDKTSKM-UHFFFAOYSA-N 302.673 3.417 5 50 DGBA C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H](c2ccsc2)O1 110681995 WCIKHYPZXCCYBH-MFKMUULPSA-N 305.359 3.018 5 50 DGBA COc1ccc(CN[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 2325807209 HXBFWTIKWRMBJH-GFCCVEGCSA-N 316.357 3.030 5 50 DGBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 5693305 BIASKZQAUHXFGJ-IUCAKERBSA-N 304.268 3.227 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 4333442 PWHSZODVBZRUQR-OAHLLOKOSA-N 301.390 3.073 5 50 DGBA O=[N+]([O-])c1ccc(-c2nnc(S)n2Cc2ccccc2)cc1 6344370 FNPPASJCBXHHNZ-UHFFFAOYSA-N 312.354 3.190 5 50 DGBA Cc1cccc(O)c1NC(=O)CCNc1ccccc1[N+](=O)[O-] 179564905 MQNCMXICUMEGMA-UHFFFAOYSA-N 315.329 3.050 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1 241304 SKXKFNWRPFEUBZ-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA COc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] 2855680 MHAVIEIUVFJYNP-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA O=[N+]([O-])c1ccc(CCN[C@@H]2CCO[C@@H]2c2ccccc2)cc1 191955062 PWFGQAISFDDHKJ-QZTJIDSGSA-N 312.369 3.257 5 50 DGBA COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 4905293 DMKYSRNUHFEHKW-ZIAGYGMSSA-N 312.325 3.346 5 50 DGBA O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 102069 ZNZMAESWIOHMMI-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCCCN1 253431709 XDTFUIROUCPHHF-UHFFFAOYSA-N 309.675 3.372 5 50 DGBA CC(=O)c1ccc(N2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 267243423 HIXZGWADNGHXED-CQSZACIVSA-N 314.345 3.252 5 50 DGBA Cc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cn1 91035 OWFSLDIQUWHPKP-UHFFFAOYSA-N 317.370 3.337 5 50 DGBA COc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 13468818 BOZZUUVBRMTZCR-UHFFFAOYSA-N 303.343 3.412 5 50 DGBA Cc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 450875 IXCDPBUUURJLPB-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA COc1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])nc1[N+](=O)[O-] 4981494 UOBRXZLKXAIURC-UHFFFAOYSA-N 324.680 3.304 5 50 DGBA O=C(c1ccc([N+](=O)[O-])cc1)n1cc2c(n1)-c1ccccc1OC2 1395719 OPHZTZQXYJCTKK-UHFFFAOYSA-N 321.292 3.039 5 50 DGBA CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 253431583 HPSSOCINMWIBLO-VPOQAHPWSA-N 314.382 3.226 5 50 DGBA O=C(COc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 2628111 SMENBJSLVPFSCX-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA O=C(Cc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O 35306301 VRTHYTIBPIEHSF-UHFFFAOYSA-N 306.705 3.135 5 50 DGBA O=c1c2ccc(O)cc2c2nccc3c4cc(O)ccc4n1c32 1875338308 SPQHYYOPPNCBCS-UHFFFAOYSA-N 302.289 3.003 5 50 DGBA CNc1ccc(OC)cc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1 355591 XXCJLBNUVJMBQA-UHFFFAOYSA-N 324.340 3.498 5 50 DGBA Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 859259 GFKPPFNYVCMBQO-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA CCCCN(CCCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2741689 YCSFWZYDMYDWBW-UHFFFAOYSA-N 314.407 3.186 5 50 DGBA Cc1cc(N2CCC[C@H](c3ccncc3)CC2)ncc1[N+](=O)[O-] 952994126 MHGOFBWPJRARMF-AWEZNQCLSA-N 312.373 3.467 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 178685 JFEGLLUBAXAQPT-INIZCTEOSA-N 315.417 3.069 5 50 DGBA CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 445656 DCOBYHZYCYTOQZ-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1F 460727 ZABGQTSNYLKXBX-LLVKDONJSA-N 318.304 3.448 5 50 DGBA COc1ccc(NC(=O)c2cccc(C)c2OC)c([N+](=O)[O-])c1 4841301 PXCZCWJPVOWLBX-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA COc1ccc([C@@H](O)CNc2cc(Cl)ccc2[N+](=O)[O-])cc1 225387732 XXUAYAOTOHOPMS-HNNXBMFYSA-N 322.748 3.402 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C 5046809 JJEFQZNFFZOIQA-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CC1(C)C(=O)O[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O 12384114 FFGXYKSRDSNOTB-YXVBKTCISA-N 317.341 3.155 5 50 DGBA O=Cc1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1 14007831 ATRAYESSMUNAEM-UHFFFAOYSA-N 302.252 3.186 5 50 DGBA COC(=O)[C@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C 46557 GNJYMNITYSCXQG-NSHDSACASA-N 312.321 3.195 5 50 DGBA COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])s1)CC2 170639140 OKUSEAZJPKYAQL-UHFFFAOYSA-N 320.370 3.236 5 50 DGBA COC(=O)[C@@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C 46558 GNJYMNITYSCXQG-LLVKDONJSA-N 312.321 3.195 5 50 DGBA O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCC1CCCC1 128093310 VFNBNIRAHDFKTR-UHFFFAOYSA-N 313.357 3.399 5 50 DGBA O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccncc2)c(Cl)c1 253416853 CFQWPMSRGVFEHT-CYBMUJFWSA-N 304.737 3.380 5 50 DGBA Nc1c([N+](=O)[O-])cc(Br)c(F)c1C(F)(F)F 169801779 BLAKCIFWVCDGMU-UHFFFAOYSA-N 303.009 3.097 5 50 DGBA O=[N+]([O-])c1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1 1730534 LWXLFOWPHMXKCX-UHFFFAOYSA-N 318.285 3.351 5 50 DGBA CN(c1ccc(O)cc1)c1cc(Cl)c2nonc2c1[N+](=O)[O-] 3879053 SYMLERXSWCZXJX-UHFFFAOYSA-N 320.692 3.258 5 50 DGBA O=C(Cc1ccc([N+](=O)[O-])cc1)NC1C2CC3CC(C2)CC1C3 453039 CRXXCYPRIWDJFW-UHFFFAOYSA-N 314.385 3.078 5 50 DGBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)o2)cc1 272648 KYGDFYAYDFGOTK-UHFFFAOYSA-N 314.326 3.332 5 50 DGBA CCn1nc(C)c([N+](=O)[O-])c1NCc1nccc2ccccc12 195342629 GQTAPMNPVCJNJZ-UHFFFAOYSA-N 311.345 3.280 5 50 DGBA O=C(CC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 185490 ZIVNRDKNFPSGPN-UHFFFAOYSA-N 318.716 3.460 5 50 DGBA CCN(CC)C(=S)SCC(=O)c1ccc([N+](=O)[O-])cc1 1889424 MQBAJYQPQLJHSS-UHFFFAOYSA-N 312.416 3.137 5 50 DGBA COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1 5041808 XYTAVLCKQHKLGZ-UHFFFAOYSA-N 317.301 3.256 5 50 DGBA CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2 4576864 HEIMRNMDKUVGDM-UHFFFAOYSA-N 313.269 3.033 5 50 DGBA CC(C)OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 83581 JZARLZPYUIZPQB-UHFFFAOYSA-N 312.321 3.277 5 50 DGBA CCOC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 469859 FHEPVRHSGNBABY-HNNXBMFYSA-N 301.298 3.278 5 50 DGBA Cc1cccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1 4622089 XOKZJAJUJIZWPG-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA CC1(C)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4947858 XJCZJULHSWUVIZ-MRVPVSSYSA-N 313.151 3.342 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2cnc[nH]2)CC1 364802520 FIUZXAGXLMAFJA-UHFFFAOYSA-N 306.753 3.355 5 50 DGBA Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] 1284532 LBRNDGCIXWLAAE-ZDUSSCGKSA-N 314.341 3.159 5 50 DGBA Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 35900081 YGEAMKXNJBSFEW-UHFFFAOYSA-N 318.354 3.340 5 50 DGBA Cc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(C)c3nc1-2 4520888 VVEWWLHKADXQQL-UHFFFAOYSA-N 312.462 3.116 5 50 DGBA COc1cccc(-c2noc(Cc3ccccc3[N+](=O)[O-])n2)c1 4839247 WTSQSCGCBUFJAE-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4117075 ZWKUZRNZFOXJRA-UHFFFAOYSA-N 319.748 3.090 5 50 DGBA Cc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 55291870 PPBMIUYVKOPPTF-UHFFFAOYSA-N 311.385 3.225 5 50 DGBA CCc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 300591 WPARMAVNERJPOK-UHFFFAOYSA-N 320.370 3.266 5 50 DGBA Cc1nn(Cc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] 380111 ITEJNJSDMOSDEU-UHFFFAOYSA-N 310.151 3.219 5 50 DGBA CC(=O)c1ccc(N[C@H]2CCc3ncccc3C2)c([N+](=O)[O-])c1 1615586415 VKSRXACREHOERI-AWEZNQCLSA-N 311.341 3.162 5 50 DGBA O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 438156 MNGJMZONDYCJSB-UHFFFAOYSA-N 320.688 3.229 5 50 DGBA O=[N+]([O-])c1ccc2ncnc(Nc3ccc4c(c3)OCCO4)c2c1 4054376 JAJWDKCYZZECTB-UHFFFAOYSA-N 324.296 3.053 5 50 DGBA COc1cc(C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 445417 LRSFUSXHXLORMN-UHFFFAOYSA-N 320.276 3.003 5 50 DGBA CCOc1cc(C=O)ccc1OCc1cccc([N+](=O)[O-])c1 457750 ANROAHNVADLJOO-UHFFFAOYSA-N 301.298 3.385 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2ccccc2C1 17032272 VUCFFBZPLIJRNI-UHFFFAOYSA-N 311.341 3.493 5 50 DGBA O=C(CCSc1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 618199 ADDZYSNFPGYTIO-UHFFFAOYSA-N 314.794 3.353 5 50 DGBA CCn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 98517 RSKLUPWANZTNTK-UHFFFAOYSA-N 301.327 3.053 5 50 DGBA Cc1csc(NC(=O)CSCc2ccccc2[N+](=O)[O-])n1 408515739 SVJAUSFPGUYKCT-UHFFFAOYSA-N 323.399 3.232 5 50 DGBA COc1cccc(NCc2ccc([C@H](C)O)cc2)c1[N+](=O)[O-] 185233190 UFCFTVNBZREGLF-NSHDSACASA-N 302.330 3.269 5 50 DGBA COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl 60163 HHFJJGDUEXTJBJ-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA COc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 316237 HZLDVZXNEUJVME-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA Cc1ccccc1OCC(=O)OCc1cccc([N+](=O)[O-])c1 467013 ZPVXJGLSFGJIBK-UHFFFAOYSA-N 301.298 3.025 5 50 DGBA O=Cc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 547941 BJNDJEACFAPHLI-UHFFFAOYSA-N 323.308 3.001 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 4902902 XHUBXRIZJCFAQX-UONOGXRCSA-N 312.325 3.346 5 50 DGBA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1163732 NZTXOYIKRLOVPJ-GFCCVEGCSA-N 313.309 3.331 5 50 DGBA O=C(CCSc1ccccc1)Nc1ncc([N+](=O)[O-])s1 4740513 XIVXEKDEWSUSHY-UHFFFAOYSA-N 309.372 3.172 5 50 DGBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 189333 ARROEKYSZHGAHX-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA Cc1cccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 291875 LYPIQPLNBGJNBK-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3151853 WJZSRHCAVQMESA-UHFFFAOYSA-N 320.370 3.118 5 50 DGBA CSc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5051128 PZKPPOVXRXZNIN-UHFFFAOYSA-N 324.383 3.118 5 50 DGBA CCOc1ccc(NC(=O)/C=C/c2ccco2)c([N+](=O)[O-])c1 4901979 SIXPAVRROPLLOB-SOFGYWHQSA-N 302.286 3.238 5 50 DGBA Cc1ccccc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 453647 NXJBDOSKESLBHW-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1 613174 OBNWWZWTUVVLIB-UHFFFAOYSA-N 312.753 3.030 5 50 DGBA CC[C@H](CC(F)(F)F)NC(=O)c1c(C)cccc1[N+](=O)[O-] 408514957 KIYNDPHQVUTWTB-SECBINFHSA-N 304.268 3.364 5 50 DGBA CC1CCC(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4724705 AIZNLBWKRNFNJD-UHFFFAOYSA-N 317.433 3.291 5 50 DGBA CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 372657 XOKHIXUZYBWNMB-UHFFFAOYSA-N 320.374 3.386 5 50 DGBA aggregator C[C@@H]1C[C@@H](SC2CCC([N+](=O)[O-])CC2)CC[C@H]1[N+](=O)[O-] 257356910 LBGFSCJRIVPHOV-RXDNMWQFSA-N 302.396 3.141 5 50 DGBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCCC2 4679700 QFURPXIQPHWVLU-UHFFFAOYSA-N 317.370 3.111 5 50 DGBA Cc1ccc(OCc2cccc3nsnc23)cc1[N+](=O)[O-] 471929 RYBMMBZFFRVIBB-UHFFFAOYSA-N 301.327 3.487 5 50 DGBA CCOC(=O)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 2837816 FHEPVRHSGNBABY-OAHLLOKOSA-N 301.298 3.278 5 50 DGBA C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]21 221880581 ACHGEMTVKBYDCJ-XUJVJEKNSA-N 303.362 3.031 5 50 DGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1ccc(F)cc1 318417 IXSYHUXKCSQCHL-RMKNXTFCSA-N 314.316 3.106 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NCc1ccccc1[N+](=O)[O-] 2031419 JLGDHEYXFGJEJX-UHFFFAOYSA-N 303.274 3.124 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@@H]2CCC=CCC[C@@H]12 5009859 WAYPPSKMSVGURY-VXGBXAGGSA-N 302.330 3.231 5 50 DGBA COc1ccc(Oc2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])cc1 71769206 KAGWCHROKXTBTN-YCRREMRBSA-N 315.281 3.494 5 50 DGBA COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12505801 YHDJIHYJPQZDFP-UHFFFAOYSA-N 319.700 3.266 5 50 DGBA CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 103144 IJMKDLBBYDDPIY-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA CCOc1cc(C=O)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 858697 MSGZPSNVHVBWDL-UHFFFAOYSA-N 315.281 3.025 5 50 DGBA O=C(CCCOc1ccccc1)Nc1ccccc1[N+](=O)[O-] 3959636 KQDWZWLZAWKTNY-UHFFFAOYSA-N 300.314 3.393 5 50 DGBA COc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1C 121905 MXNOZAUSDHJKOV-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccnc3)no2)c1 4818868 PFAHXYLVHGYTCW-UHFFFAOYSA-N 302.677 3.360 5 50 DGBA Cc1ccc(C(=O)O)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 5041178 IDXSPXWITCNZLM-UHFFFAOYSA-N 315.285 3.245 5 50 DGBA C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 120495920 CYAIYJAKRUAPTI-ABAIWWIYSA-N 312.329 3.215 5 50 DGBA CCO[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1(C)C 170637124 KZZLWUOGZRVWMP-NWDGAFQWSA-N 313.785 3.283 5 50 DGBA O=C(N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 2866201 BAEOBYFOXIOCFS-UHFFFAOYSA-N 302.374 3.419 5 50 DGBA Cc1ccnc(N2CCC[C@@H](c3ccncc3)CC2)c1[N+](=O)[O-] 1616037149 AAIPNFFRSMRSMT-CQSZACIVSA-N 312.373 3.467 5 50 DGBA O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1 211401 DJAUONLYBMQNIQ-UHFFFAOYSA-N 303.317 3.156 5 50 DGBA O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 4499554 JKIBKUVDIOBWEH-UHFFFAOYSA-N 306.661 3.387 5 50 DGBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 4010473 IALMNKFBYSABBZ-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA Cc1ccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c2c1 2342679 VQDWYEGATWHASZ-UHFFFAOYSA-N 323.352 3.357 5 50 DGBA O=C(NCCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 12031912 JHQDSXZQKMVRAT-UHFFFAOYSA-N 309.325 3.049 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSC(C)(C)CC1 279396548 VQUYBEIZGOHPDU-UHFFFAOYSA-N 308.403 3.261 5 50 DGBA O=C(NCc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 453036 QONHLBKNAREWGN-UHFFFAOYSA-N 308.696 3.317 5 50 DGBA O=[N+]([O-])c1ccc2c(c1)oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c12 104209891 BABSYXBNAVGTRN-UHFFFAOYSA-N 303.186 3.311 5 50 DGBA Nc1nc(-c2cccc([N+](=O)[O-])c2)c(Br)s1 73711069 NCYUDGSSEZYDCT-UHFFFAOYSA-N 300.137 3.063 5 50 DGBA O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]3CCCC[C@@H]31)OCO2 23281620 KOIFVPRELHHJSH-JSGCOSHPSA-N 318.373 3.478 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)c2ccccc2o1 314643 ORCJPLLVWQKHSN-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccco1 3897738 BLUNWKXNNJKIBC-UHFFFAOYSA-N 311.091 3.203 5 50 DGBA CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4040786 AUTCKCJCPAMCKG-UHFFFAOYSA-N 301.140 3.342 5 50 DGBA O=[N+]([O-])c1ccc(Br)cc1OCC(F)(F)F 169800492 GZJVLHYIEAYENK-UHFFFAOYSA-N 300.030 3.298 5 50 DGBA C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)OC[C@]32C 241231170 KSTMBVIMPFZXMJ-KLWIRTJPSA-N 316.357 3.129 5 50 DGBA CSC[C@@H](C)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc12 863947770 GGYQLUXUXDXKBV-SECBINFHSA-N 305.359 3.081 5 50 DGBA COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4039212 STACQUJUFGWYOT-LLVKDONJSA-N 316.313 3.009 5 50 DGBA CCCC[C@@H](CC)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1750490 PABDTGWENZPKAZ-LLVKDONJSA-N 323.349 3.449 5 50 DGBA COc1cc(CN[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC 4685510 NCSJCDQLPKXYEU-DGCLKSJQSA-N 308.378 3.280 5 50 DGBA CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)ccc1O 239654442 BNNYQLCHWJHTNX-UHFFFAOYSA-N 320.276 3.091 5 50 DGBA c1ccc2nc3c(nc2c1)c1ccccc1n3CN1CCOCC1 19376176 DISLOVCZRNIOTO-UHFFFAOYSA-N 318.380 3.027 5 50 DGBA O=C(NCc1ccc(O)c([N+](=O)[O-])c1)c1cc2occc2s1 2325862751 GYFVTWGTQFCSNJ-UHFFFAOYSA-N 318.310 3.038 5 50 DGBA Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 172854230 NWZXIHVAAFMFJI-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 225451439 DYFYQZFFFGDEQR-NQBHXWOUSA-N 322.361 3.223 5 50 DGBA O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1 162575 KGVBETVZAXFPLS-UHFFFAOYSA-N 311.746 3.222 5 50 DGBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 473319 HKXRLYNROXHWNB-UHFFFAOYSA-N 316.744 3.447 5 50 DGBA CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1nc(C)cs1 153081228 VEYRTOKOIVOIJI-UHFFFAOYSA-N 321.358 3.035 5 50 DGBA O=[N+]([O-])c1ccc(I)c(C(F)(F)F)c1 31829481 HUFFQIQKEINJNA-UHFFFAOYSA-N 317.004 3.218 5 50 DGBA COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 5764767 CLWOXNLVWMXBRD-QGZVFWFLSA-O 314.405 3.023 5 50 DGBA biogenic,in-vitro CC(=O)Cc1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 79045349 PWDPRNDZBPRZKC-UHFFFAOYSA-N 303.289 3.444 5 50 DGBA CC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 858600 HPAKIKARKFBTOQ-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA COC(=O)c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 22797653 GRBYWWIRCKCEHG-UHFFFAOYSA-N 316.313 3.002 5 50 DGBA CCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 156059251 HFJSJNYOKFMGKU-UHFFFAOYSA-N 320.374 3.244 5 50 DGBA CNC(=O)c1cc(Cl)ccc1NCc1cccc([N+](=O)[O-])c1 172875153 KJXQFKKVLLRVGS-UHFFFAOYSA-N 319.748 3.220 5 50 DGBA CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3877461 NJPUKCQSRUPVHQ-UHFFFAOYSA-N 316.273 3.205 5 50 DGBA NC[C@H]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 864588478 DJDNXFUJWQVFDR-MGCOHNPYSA-N 306.391 3.134 5 50 DGBA Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 175634 XGDPHWBEIZQJTK-UHFFFAOYSA-N 315.716 3.256 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(C3CCCCCC3)CC2)cc1 4724868 LCWZJWHFMBKSIL-UHFFFAOYSA-N 317.433 3.435 5 50 DGBA O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2CC[C@H]1C2 101668565 XJMWFVSZQMKZIL-YDHLFZDLSA-N 320.414 3.133 5 50 DGBA Cc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 63551 OLNLATQIBSJSQA-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=[N+]([O-])c1ccc(F)cc1OCc1nc(-c2cccs2)no1 4686676 XIJRKMRFFKNHEO-UHFFFAOYSA-N 321.289 3.424 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(F)cc1 4614502 NVZMDJUMBLUQEN-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C)cn1 5041749 XSCNIDLHABLURH-UHFFFAOYSA-N 318.358 3.116 5 50 DGBA O=C(Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl 311658 ROIWCIZYHWONTH-UHFFFAOYSA-N 320.688 3.229 5 50 DGBA COc1ccccc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 471628 XUTZHTXPNSSXGY-GFCCVEGCSA-N 314.341 3.023 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 3895491 ZEKOHBOJYDFRAK-UHFFFAOYSA-N 311.091 3.203 5 50 DGBA COc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 17054168 HGLDEJLFCOKQNZ-UHFFFAOYSA-N 317.301 3.256 5 50 DGBA O=[N+]([O-])c1c(Br)cc(F)c(Br)c1F 263625087 WQCHINDFKJSUNS-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA COc1ccc(OCCCOc2ccccc2[N+](=O)[O-])cc1 2906315 BJTHKXHNWOKENI-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 4526665 MCVFINDDXZNSMN-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA Cc1nn(CN2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc12 121179330 ZNAJHYLWMSUDQR-UHFFFAOYSA-N 308.341 3.226 5 50 DGBA Cc1c(C(=O)Nc2nnc(C(C)(C)C)s2)cccc1[N+](=O)[O-] 318320 XWWZDTHVAULLJQ-UHFFFAOYSA-N 320.374 3.305 5 50 DGBA O=c1c2ccccc2ncn1Cc1c(Cl)cccc1[N+](=O)[O-] 1098879 IPJWUEORNHEEBA-UHFFFAOYSA-N 315.716 3.006 5 50 DGBA O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1 193211 GUTXURBXKUNXMM-INIZCTEOSA-N 314.366 3.369 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 140204379 GPUGNKUQDDEOPL-UHFFFAOYSA-N 312.369 3.078 5 50 DGBA C[C@H]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 4007902 WUWILQZPXWWLBC-YOEHRIQHSA-N 303.406 3.296 5 50 DGBA O=[N+]([O-])c1cccc(Br)c1NN1CCCCC1 169725444 UPNCYSOMAVMVGI-UHFFFAOYSA-N 300.156 3.170 5 50 DGBA C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 252510830 CAKLQGSXOLKYSA-MLGOLLRUSA-N 318.352 3.014 5 50 DGBA CCOC(=O)CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 231516 UCLHXGMQGGFJNJ-UHFFFAOYSA-N 306.101 3.038 5 50 DGBA CCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 450902 NCLGGVCPHOWWEJ-GFCCVEGCSA-N 314.341 3.485 5 50 DGBA CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4819034 RZRBIGSOTRVGNQ-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CSc2ccccc21 118213695 TXROUBACLYNUMX-CQSZACIVSA-N 314.366 3.101 5 50 DGBA COC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])cc1 2536616 IYRBFQAEYXIKFQ-UHFFFAOYSA-N 301.298 3.269 5 50 DGBA O=C(NCc1cccnc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 305968 LNBGPZZHCNUGPZ-UHFFFAOYSA-N 323.308 3.180 5 50 DGBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@@H]2[C@@H]2CC[C@H]23)c([N+](=O)[O-])c1 247318466 LCQCZRRBUXXKQU-FWZIUSJTSA-N 304.302 3.064 5 50 DGBA CC(=O)c1ccc(N[C@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 408523168 HOKRLWATKGOCGN-SNVBAGLBSA-N 300.318 3.069 5 50 DGBA CC(C)(C)[S@](C)(=O)=NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 685945127 WVGGNVNATSMLCR-QFIPXVFZSA-N 323.374 3.113 5 50 DGBA COc1cccc(NCc2ccc([C@@H](C)O)cc2)c1[N+](=O)[O-] 185233210 UFCFTVNBZREGLF-LLVKDONJSA-N 302.330 3.269 5 50 DGBA Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 4651711 OLOHSNKCBNREJG-UHFFFAOYSA-N 315.207 3.162 5 50 DGBA Cc1cc(OCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] 20168234 FBRBKTKKCNXOFU-GJZGRUSLSA-N 322.405 3.171 5 50 DGBA CCn1ncc(N[C@H]2CCNc3ccc([N+](=O)[O-])cc32)c1C 1875298656 ITNBVJPRNASCTF-AWEZNQCLSA-N 301.350 3.088 5 50 DGBA COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 5732865 UTSVPXMQSFGQTM-DCXZOGHSSA-N 324.288 3.006 5 50 DGBA endogenous,in-man COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccs1 473388 BZCPCLHYUTUWQI-FNORWQNLSA-N 304.327 3.317 5 50 DGBA Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1163733 NZTXOYIKRLOVPJ-LBPRGKRZSA-N 313.309 3.331 5 50 DGBA CN(CCCC(=O)O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4693822 HAWZIXNFDMGQCJ-UHFFFAOYSA-N 321.358 3.019 5 50 DGBA CC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 4839949 BUAHWPCSFDJAHL-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA CC1=C(C)C[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 100596365 RAEABGVBEUBZBQ-OKILXGFUSA-N 314.341 3.139 5 50 DGBA Cc1cc(NCc2ncc(C(F)(F)F)[nH]2)ccc1[N+](=O)[O-] 952992070 IWBLJOLOYSDQMT-UHFFFAOYSA-N 300.240 3.257 5 50 DGBA Cc1ccccc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] 5103381 QSCQUMFARRUPMI-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=C(Oc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2779485 MXIAEZQGOGOTOH-UHFFFAOYSA-N 322.660 3.376 5 50 DGBA C[C@H]1c2ccccc2CCN1c1nc2sccn2c1[N+](=O)[O-] 225448518 GCCBNVFNCQAVCY-JTQLQIEISA-N 314.370 3.428 5 50 DGBA Cc1ccc(NC(=O)N(CCO)C2CCCCC2)c([N+](=O)[O-])c1 4799908 ONZUYWKAIMHYAN-UHFFFAOYSA-N 321.377 3.062 5 50 DGBA COc1ccc(NC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1 4539211 VLEFIHFSHCPVHS-UHFFFAOYSA-N 305.265 3.387 5 50 DGBA O=C(O)/C=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 160632 NXEAFENRUYAQEV-FNORWQNLSA-N 302.311 3.239 5 50 DGBA CCOc1ccc(NC(=O)c2c(CC)noc2C)c([N+](=O)[O-])c1 4803714 ZREITVZYHVDTEA-UHFFFAOYSA-N 319.317 3.105 5 50 DGBA O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccccc1 72187 HJQVVYOOMHGHJQ-UHFFFAOYSA-N 303.339 3.430 5 50 DGBA O=C(COc1ccc(Cl)cc1)Oc1cccc([N+](=O)[O-])c1 358487 NENJUXQKUYPDKI-UHFFFAOYSA-N 307.689 3.233 5 50 DGBA CCCOc1ccc(C(=O)OCCC[N+](C)(CC)CC)c(O)c1 822978986 FSJUDASTXSWKHM-UHFFFAOYSA-O 324.441 3.214 5 50 DGBA CC1(C)CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F 192549799 GNVNHWFUZDZLJJ-ZETCQYMHSA-N 309.313 3.466 5 50 DGBA CC1(C)C(=O)O[C@H](c2cccc([N+](=O)[O-])c2)C2(CCCC2)C1=O 94612 OJEBFVXHSVXQGJ-CYBMUJFWSA-N 317.341 3.348 5 50 DGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 133283 ATHNPCJIULGHPL-UHFFFAOYSA-N 324.695 3.405 5 50 DGBA C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 4644560 KPYIUCXVOGYSCQ-WBMJQRKESA-N 324.336 3.278 5 50 DGBA Nc1ncnc(N(Cc2ccccc2)c2ccccc2)c1[N+](=O)[O-] 3912609 CVPLAQQUJVLTLX-UHFFFAOYSA-N 321.340 3.305 5 50 DGBA CCc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 145584 RCGHUMIQMXOLCP-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2cccnc2)no1 466963 MNXSCAUZNJMWJC-UHFFFAOYSA-N 302.677 3.360 5 50 DGBA Cc1cccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4817013 CVWJFVOHTMHDHN-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA CCN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O 16265466 QKPNHYHIGOGSAW-SWCFZJNMSA-N 304.327 3.207 5 50 DGBA O=Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 169725249 OYLBYDDKIADFCV-UHFFFAOYSA-N 317.141 3.279 5 50 DGBA CCc1nc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 225419754 NQNJZSPJULRQHI-UHFFFAOYSA-N 305.359 3.483 5 50 DGBA CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 376622 MGDYIPDOVNTYIC-VXGBXAGGSA-N 314.407 3.183 5 50 DGBA Cc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] 456973 COQFLLJLASBMII-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA Cc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)cccc1[N+](=O)[O-] 557405 CJOSMKRNEIMLMJ-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA Cc1ccc(C(=O)O)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 4806810 PYJMPOMIRXOUQI-UHFFFAOYSA-N 314.297 3.162 5 50 DGBA CCCc1[nH]nc(C(=O)N(C)CC2CCC(C)CC2)c1[N+](=O)[O-] 130756233 CYHYSYMCAXFNHC-UHFFFAOYSA-N 322.409 3.169 5 50 DGBA CC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 432020 RYKIWEFBYQINQA-NYYWCZLTSA-N 310.309 3.449 5 50 DGBA CCCCc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 2879065 WUNDRZNUDVGIFD-UHFFFAOYSA-N 306.347 3.041 5 50 DGBA O=C(Oc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 4846130 RTZBENJZJDPSRJ-UHFFFAOYSA-N 312.325 3.414 5 50 DGBA O=C(CSc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 2383569 WIFBGTVOOFWSAG-UHFFFAOYSA-N 306.318 3.465 5 50 DGBA O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 179897 UGPKQUAWSIETTO-OAHLLOKOSA-N 300.339 3.373 5 50 DGBA O=[N+]([O-])c1nc(Oc2ccccc2)n(Cc2ccccc2F)n1 528129 RVCNBDGNTVRABA-UHFFFAOYSA-N 314.276 3.166 5 50 DGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2840032 GURIDSMTOITGNF-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA Cc1cccc(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 309742 ZTWCFYGWAHEIHD-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(Nc1cccc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 2889953 OCWLKLLFRQWBHK-UHFFFAOYSA-N 308.240 3.449 5 50 DGBA C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1 670419695 SODMRVVDWQXIAM-INIZCTEOSA-O 311.449 3.173 5 50 DGBA O=c1oc2ccccc2c(NCCc2ccccc2)c1[N+](=O)[O-] 8829170 PGUHWPAFPIEHBE-UHFFFAOYSA-N 310.309 3.356 5 50 DGBA CC(C)(C)C(=O)NCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 408516851 WCOJQYBYOYINDN-UHFFFAOYSA-N 315.320 3.107 5 50 DGBA Cc1ccc(NCCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 218986332 QCRVVXPPOKMTBT-UHFFFAOYSA-N 309.366 3.230 5 50 DGBA Cc1cc(C(=O)NCCc2ccc(F)cc2)ccc1[N+](=O)[O-] 303619 QSZPLXAQRRMBEJ-UHFFFAOYSA-N 302.305 3.015 5 50 DGBA O=[N+]([O-])c1ccc(Cl)c(NCn2nnc3ccccc32)c1 2565382 QCGGEIIGZSVGRW-UHFFFAOYSA-N 303.709 3.063 5 50 DGBA CCCC[C@@H](CC)CNC(=O)COc1ccc([N+](=O)[O-])cc1 1750479 BZLBGWXJYRBFEV-CYBMUJFWSA-N 308.378 3.306 5 50 DGBA O=C(O[C@@H]1C=C[C@@H]2C=C[C@H]3C=C[C@@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 101138867 VYMDTEMQEMYLDP-XBJNOIPFSA-N 309.321 3.294 5 50 DGBA O=[N+]([O-])c1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1 102579102 MHFSRMPSKPLZSA-UHFFFAOYSA-N 319.118 3.296 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc2c1CCCC2 35347537 QVDRXZKLXZHKAY-UHFFFAOYSA-N 318.354 3.493 5 50 DGBA CCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 444345 NAWVPXAQZGRRBB-UHFFFAOYSA-N 313.313 3.196 5 50 DGBA O=C(Cc1c(F)cccc1Cl)Nc1ncc([N+](=O)[O-])s1 4704418 NXKIMXJJWOXMMH-UHFFFAOYSA-N 315.713 3.025 5 50 DGBA O=[N+]([O-])c1ccc(CNc2nnc(CC3CC3)o2)cc1Cl 170607196 PVDNAKLJODLSAC-UHFFFAOYSA-N 308.725 3.196 5 50 DGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccccc1 436937 KXWFEIFDFQEWGI-MDZDMXLPSA-N 311.293 3.034 5 50 DGBA COc1nn(Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 4834477 BNOKSOJQMWGIQM-UHFFFAOYSA-N 302.117 3.155 5 50 DGBA Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C 176832 WKWMINFMXLJMAL-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA O=C(COc1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] 4725402 DRZNRQAJZBLNEQ-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA CC1(C)C(=O)Nc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 170616777 AJVQZMNOVVNIPN-UHFFFAOYSA-N 311.341 3.332 5 50 DGBA Cc1cccc(C[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 4309549 MAOSYJABPKCGCG-CQSZACIVSA-N 324.336 3.025 5 50 DGBA CCc1csc([C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)n1 253425552 FVFKNCAYAXYOFA-LLVKDONJSA-N 318.402 3.393 5 50 DGBA COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 102899 QDLWMICVZVPKST-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=[N+]([O-])c1ccc(-c2noc(NCC3(C4CC4)CC3)n2)cc1 131222271 UXDISGRFXGRKJM-UHFFFAOYSA-N 300.318 3.247 5 50 DGBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21 215080 HTCDWZLLMQDLJI-UHFFFAOYSA-N 302.717 3.451 5 50 DGBA COc1ccc(C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] 313356 ZSTJCWUKCSHDNH-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA CC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 436599 PYGUADVPRLXIBJ-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 4181471 PUMSPUNCRYXTSF-UHFFFAOYSA-N 319.748 3.090 5 50 DGBA CC(=O)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 265930 JODYLBSAUUOWOK-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA O=C(OCC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 460882 WLGNYGBTUVMRIN-UHFFFAOYSA-N 319.700 3.288 5 50 DGBA Cc1nn(C)c(N2CCC(c3ccsc3)CC2)c1[N+](=O)[O-] 275007807 PFNMAGIBVUTAQT-UHFFFAOYSA-N 306.391 3.082 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccs1 467600 MSBRSLXQXGMPKL-UHFFFAOYSA-N 321.383 3.092 5 50 DGBA O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]3C(F)F)co2)cc1 864091487 XLZJAIGHVXQOHL-GFCCVEGCSA-N 309.272 3.089 5 50 DGBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1C 370908 DGHCBDHSDJADCB-UHFFFAOYSA-N 308.725 3.025 5 50 DGBA Cc1cccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 1140890 SCPHFLNOTQUUNT-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA COc1ccc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4039207 CPLHTUXRTLAQAD-LLVKDONJSA-N 316.313 3.009 5 50 DGBA C[C@@H]1SCCN(c2ccc([N+](=O)[O-])c3cnccc23)[C@H]1C 253394263 AXZARIMRLKMQCH-QWRGUYRKSA-N 303.387 3.473 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 4039924 DGNVHLCEWYAURP-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 55543873 UJGMBRBSUBTKAX-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA CC(=O)Oc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 442220 SHNUHDZNKIQHHD-UHFFFAOYSA-N 314.297 3.081 5 50 DGBA Cc1ccccc1-n1c(CF)nc2ccc([N+](=O)[O-])cc2c1=O 1848294 YLWBZTIVGRUKCL-UHFFFAOYSA-N 313.288 3.072 5 50 DGBA CCOc1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 4031841 RBVFJXHRSNVSQV-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1 303293 KDGRLHBTRZLLKD-UHFFFAOYSA-N 318.354 3.334 5 50 DGBA Cc1c(CNc2ccc3ccn(C)c(=O)c3c2)cccc1[N+](=O)[O-] 253415822 CFBAIGXCKJGOMV-UHFFFAOYSA-N 323.352 3.367 5 50 DGBA O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 296311 SKRWQTIWMXUKBU-INIZCTEOSA-N 314.366 3.369 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCN(C2CCCCCC2)CC1 4170516 UBXWEOCOPBHLCJ-UHFFFAOYSA-N 317.433 3.435 5 50 DGBA Cc1ccc(C(C)(C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 408514053 FSABSSXUDPORRD-UHFFFAOYSA-N 317.320 3.102 5 50 DGBA O=Cc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc12 4329511 MDRJVNMNXUMBDY-UHFFFAOYSA-N 323.308 3.001 5 50 DGBA CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5208165 YWTOZWITTRYCTP-UHFFFAOYSA-N 302.290 3.313 5 50 DGBA O=c1sc2ccccc2n1COc1ccc([N+](=O)[O-])cc1 5740044 JTEPFVHGMSPAIJ-UHFFFAOYSA-N 302.311 3.008 5 50 DGBA O=[N+]([O-])c1c(Br)c(F)cc(F)c1Br 199601493 FHUKPGATLLJKLN-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA O=[N+]([O-])c1c[nH]ccc1=Nc1ccc2c(c1)nc1n2CCCCC1 340154550 HUQHLUKNQOATKW-UHFFFAOYSA-N 323.356 3.231 5 50 DGBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 4673215 PKFLZDQMCXTPDD-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA C[C@H](Oc1cccnc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 170615477 HPNJMXGRNWRWOF-JTQLQIEISA-N 312.285 3.180 5 50 DGBA CCn1nc(C)c(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1C 611310 VBCHVGDKTCAVBE-UHFFFAOYSA-N 319.390 3.237 5 50 DGBA O=c1c(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)c3cccc1c32 2024698 RWRWAVMOYCXIQZ-UHFFFAOYSA-N 319.272 3.290 5 50 DGBA O=C1c2ccccc2/C(=N/c2ccc3cccnc3c2)[C@@H]1[N+](=O)[O-] 110431379 WQSRVURXCMXWAE-IMGOXIFKSA-N 317.304 3.197 5 50 DGBA CC(=O)Nc1ccc2c(Br)cccc2c1[N+](=O)[O-] 223208857 GROZQCMYLULHOS-UHFFFAOYSA-N 309.119 3.469 5 50 DGBA O=C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)c2ccccc2N1 253392390 QLWDWIKLGPZJCC-UHFFFAOYSA-N 315.304 3.083 5 50 DGBA COc1ccc([N+](=O)[O-])cc1[C@H]1NN=C(c2ccccc2)S1 48926 RODIBCQTFOGQAF-HNNXBMFYSA-N 315.354 3.300 5 50 DGBA Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] 473622 DQPQRUTXWIRLSZ-UHFFFAOYSA-N 317.370 3.491 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@@H]1CCCCO1 162954581 WPZGXEZMIYTJFM-AWEZNQCLSA-N 321.377 3.374 5 50 DGBA Cc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)N2 2513410 QZZJXDWHWCFAIV-UHFFFAOYSA-N 315.241 3.169 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CCC=CCC[C@H]12 5009855 WAYPPSKMSVGURY-RYUDHWBXSA-N 302.330 3.231 5 50 DGBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1Cl 2890302 OVWZEAUKPIFGRT-UHFFFAOYSA-N 323.761 3.374 5 50 DGBA CCOc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 4870316 YQYWPNQPYGRNCQ-UHFFFAOYSA-N 316.313 3.011 5 50 DGBA O=C(NCCSC1CCCCC1)c1cccc([N+](=O)[O-])c1 16214118 JIVIGBHZEWEECE-UHFFFAOYSA-N 308.403 3.391 5 50 DGBA Cc1nc(N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] 225532645 UHIYKCSWILGEQR-CXAGYDPISA-N 314.389 3.402 5 50 DGBA Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1C 225398820 BXOVVQKQAUYJRQ-UHFFFAOYSA-N 312.285 3.000 5 50 DGBA Cc1ncc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C2CC2)n1 253630132 KYHKEKUJSCAHFW-UHFFFAOYSA-N 312.329 3.131 5 50 DGBA C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 310560 GJHSQUFCZAEEOC-BRADTZPFSA-N 310.353 3.355 5 50 DGBA CCOc1cc(C=O)cc([N+](=O)[O-])c1OCc1ccccc1 1057009 GVVVZQOHTCGOSL-UHFFFAOYSA-N 301.298 3.385 5 50 DGBA Cc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 4980342 LFRCRYQDIWKWTM-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1Nc1ccccc1C 44126424 KRPWDRSTWRLIFG-UHFFFAOYSA-N 319.292 3.155 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 178708 JQDRKZZHLVIHBU-MRXNPFEDSA-N 315.417 3.069 5 50 DGBA Cc1cc(N)ncc1C1CCN(c2sccc2[N+](=O)[O-])CC1 1775993143 AYIISZLZVOGJNS-UHFFFAOYSA-N 318.402 3.326 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCC(N3CCCCC3)CC2)cc1 243785 GXURWRJBLAJNHS-UHFFFAOYSA-N 303.406 3.045 5 50 DGBA COc1cc(C(=O)Nc2cccc(F)c2)c([N+](=O)[O-])cc1OC 445290 RCZTWYLUYAJONV-UHFFFAOYSA-N 320.276 3.003 5 50 DGBA CCc1ccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 5667515 WEJJRUQTZNRVRR-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] 97648 IKYAEXPEOUXHEO-UHFFFAOYSA-N 321.720 3.294 5 50 DGBA O=C1CCCC[C@]1(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 167386 RPCBIMQOUODXBX-SFHVURJKSA-N 324.336 3.254 5 50 DGBA CC(=O)Nc1ccc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 2166179 XRPKJCVACNTAEN-UHFFFAOYSA-N 311.341 3.116 5 50 DGBA COc1cc([N+](=O)[O-])cc(Br)c1Br 36532924 DWYMLLKXKWHAIC-UHFFFAOYSA-N 310.929 3.128 5 50 DGBA CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 295884 YAXZBBFKYVYNOL-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA CC(C)(C)SCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2984631 RABHVEZSKMLFLP-BQYQJAHWSA-N 308.403 3.256 5 50 DGBA COc1ccc(C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 440469 QGKRTRUEIUEKNI-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 1753525 AGCKBNLNGCOIGR-UHFFFAOYSA-N 305.265 3.387 5 50 DGBA CC(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cc1Cl 4695950 LJIIYTLSOAISIN-UHFFFAOYSA-N 313.785 3.213 5 50 DGBA Cc1ccnc(N[C@H](C)c2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] 1776006525 XCLBINDLWDMISA-SSDOTTSWSA-N 315.255 3.213 5 50 DGBA O=C(COC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 243534 AOEVKXOIFBSNLR-UHFFFAOYSA-N 319.700 3.288 5 50 DGBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 550049 PZJJPRLWVCIYJC-UHFFFAOYSA-N 322.324 3.341 5 50 DGBA COc1cccc(N2CCO[C@@H](c3ccsc3)C2)c1[N+](=O)[O-] 185557179 PEYDBWDNWDOSQF-CQSZACIVSA-N 320.370 3.243 5 50 DGBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 248123210 VXTVPCLBMPBAPQ-NFFDBFGFSA-N 320.389 3.303 5 50 DGBA O=C(NCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 2983116 VXSSQPUQAZOYHG-UHFFFAOYSA-N 302.355 3.117 5 50 DGBA COc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 67837 IJDCTJDLIYCKRN-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1[N+](=O)[O-] 1055907 MZJREFKSQLOXMS-UHFFFAOYSA-N 309.325 3.315 5 50 DGBA Cc1ccc2nsnc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 97636 KBCSQPZWZDYETK-UHFFFAOYSA-N 314.326 3.160 5 50 DGBA C[C@H]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 178689 RFNWBFJIRUPYHH-DOTOQJQBSA-N 317.433 3.291 5 50 DGBA Cc1cccc([N+](=O)[O-])c1C(=O)Nc1n[nH]c2cc(F)ccc12 252499827 SFTACHWTMPAPNM-UHFFFAOYSA-N 314.276 3.171 5 50 DGBA Cc1cc(C[C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n[nH]1 193029573 BUDLOAZHVHMIJO-PIGZYNQJSA-N 314.389 3.225 5 50 DGBA CCOC(=O)c1cnc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 596083267 YXZAQZRAXJNRRY-VIFPVBQESA-N 321.358 3.401 5 50 DGBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 466973 YNPLSDGIDVOUQN-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(Nc1cncc(Cl)c1Cl)c1ccc([N+](=O)[O-])o1 180063452 AHVDZBNLDFBXML-UHFFFAOYSA-N 302.073 3.142 5 50 DGBA CCOCCC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 178557543 AKHNOYQTRVDYSV-UHFFFAOYSA-N 321.377 3.313 5 50 DGBA Nc1ccc([N+](=O)[O-])c(NCc2coc(-c3ccccc3)n2)c1 192795449 AMIGYFXALIQPHV-UHFFFAOYSA-N 310.313 3.444 5 50 DGBA COc1ccc(OC)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 259033 RDRWZGRTXIRLMG-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=C(NCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl 2989537 ZHVJTDKWJXLHMB-UHFFFAOYSA-N 322.723 3.360 5 50 DGBA O=[N+]([O-])c1cc(Br)ccc1NN1CCCCC1 112208878 SQXYGZGEPMUOFD-UHFFFAOYSA-N 300.156 3.170 5 50 DGBA Cc1nc([N+](=O)[O-])c(N2CCCCC2)n1Cc1ccccc1 3832884 UIVGQKYNHQZRMG-UHFFFAOYSA-N 300.362 3.138 5 50 DGBA O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])o1 4843014 OORUPZVGNHKYDK-UHFFFAOYSA-N 301.302 3.040 5 50 DGBA CC(C)(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 22995908 JXTFWZONKMNENB-UHFFFAOYSA-N 321.377 3.406 5 50 DGBA Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 38873 QPXFRASVUOCLKD-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-] 319254 AQZCSWQTDBVQMB-UHFFFAOYSA-N 302.305 3.015 5 50 DGBA Cc1cc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 330831 IMTPAMBILBZRHL-UHFFFAOYSA-N 300.314 3.478 5 50 DGBA CC1(C)C(=O)C2(CCCC2)C(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1 467708 QIFOVKFCBXVTHA-CYBMUJFWSA-N 317.341 3.348 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl 4113298 JJQYADUMZGPKJC-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1 37614 DXQNMBKWJDBULV-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4016458 VDSXOZPVAIBZAA-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA C[C@H](CNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 2853647 MHCHJJQSLQHFGZ-LLVKDONJSA-N 302.305 3.267 5 50 DGBA O=C(COc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 450148 NZMCLUOSOHPNTL-UHFFFAOYSA-N 324.695 3.405 5 50 DGBA COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 4685486 JDZOHAJOFPNXEH-UHFFFAOYSA-N 318.329 3.233 5 50 DGBA CC(C)(C)C1=CCN(CCNc2ncccc2[N+](=O)[O-])CC1 253428712 KUQGZGNGZSTBKO-UHFFFAOYSA-N 304.394 3.080 5 50 DGBA CCCCOCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2989566 KRJLRIJVKLIQSW-UHFFFAOYSA-N 314.769 3.185 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccncc1 156063275 APJJDMMXNYCIBP-NSHDSACASA-N 300.318 3.181 5 50 DGBA CCc1ccccc1OCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4056347 LRNCHDYFBIKBFF-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA C[C@H](CCc1ccccc1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 4811452 OYQXFOCKMWBHCC-RDTXWAMCSA-N 314.385 3.239 5 50 DGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1 333733 MNHIVKRGHVGPIJ-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA CCOc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1 2991160 POCDQCMIQGKBBQ-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA Cc1ccnc(N[C@H](C)c2cc3n(n2)CCCC3)c1[N+](=O)[O-] 952880533 BUGTYUNUBJPPFI-LLVKDONJSA-N 301.350 3.004 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1 5007510 JTZJRJOQHVKVBR-UHFFFAOYSA-N 320.732 3.438 5 50 DGBA O=[N+]([O-])c1cc(CN2CCO[C@H]3CCCC[C@H]32)ccc1Cl 230119964 WKSWVRWYGZFDGW-HIFRSBDPSA-N 310.781 3.392 5 50 DGBA O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1c1ccncc1 270902935 FYQFSHUGLLDEOQ-GFCCVEGCSA-N 304.737 3.380 5 50 DGBA C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 457266 IATNQZDQQFPPQK-JTQLQIEISA-N 304.277 3.140 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)c(C)c1 4075658 HUILELUNXGJTGV-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2493893 KNQZDRMQDPWSQK-UHFFFAOYSA-N 315.285 3.318 5 50 DGBA Cc1c(Br)cc(N)c([N+](=O)[O-])c1Br 4086992 JJWQRWQMQJOBLA-UHFFFAOYSA-N 309.945 3.010 5 50 DGBA O=C(O)CCC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 295993 IDZDZZRBUPBMLU-UHFFFAOYSA-N 314.297 3.065 5 50 DGBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 461353 JUEXLLUBKIJIQI-BJMVGYQFSA-N 300.289 3.064 5 50 DGBA C[C@@H]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 4007901 WUWILQZPXWWLBC-PBHICJAKSA-N 303.406 3.296 5 50 DGBA Cc1cc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])ccn1 1875358415 VLQGGEAJXICWBB-SECBINFHSA-N 303.347 3.181 5 50 DGBA C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H](C)O1 268768 YZLWKUAQULHULQ-GHMZBOCLSA-N 319.386 3.332 5 50 DGBA CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 580713 IANXLQFGAGKDGX-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4997127 IWWADEVEQUOHFD-UHFFFAOYSA-N 315.285 3.074 5 50 DGBA CCOC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 456873 YUUCAWOXUBEMCE-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA Cc1occc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 484150 BYVKVLLYQVWSGI-UHFFFAOYSA-N 303.299 3.358 5 50 DGBA Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4832780 BGCASNAAMVKWPL-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 5049434 NQAUEVLNMFXMSV-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 282262 GUJHJUOAEOBGFN-KRWDZBQOSA-N 309.325 3.292 5 50 DGBA Cc1ccc([N+](=O)[O-])c(OCCCSc2ncccn2)c1 2845353 FHNWUIWTWWOUAG-UHFFFAOYSA-N 305.359 3.254 5 50 DGBA CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OC 4771384 SUNOMKWLJHJVSK-SOFGYWHQSA-N 304.302 3.469 5 50 DGBA COc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(C(C)=O)c1 265367 LCAKZEUXTIDNGH-UHFFFAOYSA-N 315.281 3.025 5 50 DGBA CCO[P@](=O)(c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 301690 VMRMFIBBRJFFHN-OYHNWAKOSA-N 321.269 3.226 5 50 DGBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 2762317 CTMCWDCDOYMOQS-UHFFFAOYSA-N 319.700 3.288 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 178710 JQDRKZZHLVIHBU-INIZCTEOSA-N 315.417 3.069 5 50 DGBA COc1ccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 313067 HURJFJMAUUXPLJ-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cn1 463919 DYJHCFDPQVGCJI-VMPITWQZSA-N 303.705 3.295 5 50 DGBA COc1ccc(OC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1752589 LABIWDWUMILRCP-UHFFFAOYSA-N 318.285 3.223 5 50 DGBA CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 317571 BYZCVVKVPANGQA-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(F)cc1 1752591 NTLCJXPHOOABMO-UHFFFAOYSA-N 306.249 3.353 5 50 DGBA COCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774800 QGZSIPRZNUQQSI-UHFFFAOYSA-N 324.340 3.263 5 50 DGBA O=C1c2ccccc2/C(=N/c2ccc3cccnc3c2)[C@H]1[N+](=O)[O-] 110431383 WQSRVURXCMXWAE-XUMLYMLNSA-N 317.304 3.197 5 50 DGBA Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 408226290 MWWPNCAPKLTJCC-ZFWWWQNUSA-N 317.389 3.145 5 50 DGBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1 858584 SQTFIZNGDUKVBY-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 100548067 KPYIUCXVOGYSCQ-MLGOLLRUSA-N 324.336 3.278 5 50 DGBA CSCCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 281363405 SWSLUUQUAGCEPB-UHFFFAOYSA-N 302.783 3.073 5 50 DGBA O=c1oc2ccccc2c2ccnc(NCc3ccncc3)c12 1776111776 PFCZZGOUSAJNAV-UHFFFAOYSA-N 303.321 3.348 5 50 DGBA CCOc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1 4660923 IOCOWPVADGSBJQ-UHFFFAOYSA-N 316.313 3.011 5 50 DGBA O=[N+]([O-])c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1 6493926 NGJMLNVLGGKODG-UHFFFAOYSA-N 308.091 3.494 5 50 DGBA O=[N+]([O-])c1cc(F)c(N2CCCC[C@@H]2c2cc[nH]n2)c(F)c1 240569327 GZPJKFRJQVHISM-CYBMUJFWSA-N 308.288 3.328 5 50 DGBA CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 6701024 LJAFTISHWSOXCT-UHFFFAOYSA-N 306.391 3.214 5 50 DGBA Cc1cc(C)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 4957254 JTLFCKQXSSVHAZ-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CC[C@H](n2cc3ccccc3n2)C1 378565724 JYRKXLVCOZCNKL-INIZCTEOSA-N 322.368 3.392 5 50 DGBA C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 155942511 GRIKXMGAWMARGW-NTZNESFSSA-N 322.361 3.223 5 50 DGBA COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@H]3C[N@+]1(C)CC2 247536857 ACFBTUAMHMCOQE-VZJWBNGJSA-N 300.422 3.344 5 50 DGBA Cc1cc(NCC2(C)CCNCC2)c2cccc([N+](=O)[O-])c2n1 420234756 XUBPSWHUBQHEBB-UHFFFAOYSA-N 314.389 3.253 5 50 DGBA O=C1CS[C@@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 4021310 DSKLYSRBFYBORU-HNNXBMFYSA-N 300.339 3.373 5 50 DGBA CC(C)NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542668 QKOTXECLPFPLLQ-UHFFFAOYSA-N 302.330 3.312 5 50 DGBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCCC1 4914421 OQSNYOIYICYGSO-UHFFFAOYSA-N 317.389 3.211 5 50 DGBA CO[C@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1 130850142 RRIXDGOCWLDBHO-SNVBAGLBSA-N 316.313 3.260 5 50 DGBA Cc1nn(-c2ccccn2)c(C)c1/C=C/c1ccc([N+](=O)[O-])cn1 225792017 JINMQISAHQLTRL-VQHVLOKHSA-N 321.340 3.358 5 50 DGBA CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 685945126 WVGGNVNATSMLCR-JOCHJYFZSA-N 323.374 3.113 5 50 DGBA O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl 1421973 HUYHRSOSCSJGJU-UHFFFAOYSA-N 302.677 3.360 5 50 DGBA O=C1CS[C@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 4021309 DSKLYSRBFYBORU-OAHLLOKOSA-N 300.339 3.373 5 50 DGBA CC[C@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16225801 MGDYIPDOVNTYIC-TXEJJXNPSA-N 314.407 3.183 5 50 DGBA CCc1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4818754 QLNLECXFTCKZEY-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1cnc(Cl)s1 6221731 VKRSUEGTXNPZCX-UHFFFAOYSA-N 313.722 3.453 5 50 DGBA Cc1cc(NC(=O)c2cn3cc(C)c(C)cc3n2)cc([N+](=O)[O-])c1 2325862528 XHTSSRHVNCERGP-UHFFFAOYSA-N 324.340 3.420 5 50 DGBA O=C(O)c1ccccc1C(=O)c1cc([N+](=O)[O-])ccc1Cl 3190781 RLKAXSBPFSYKLF-UHFFFAOYSA-N 305.673 3.177 5 50 DGBA CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 450903 NCLGGVCPHOWWEJ-LBPRGKRZSA-N 314.341 3.485 5 50 DGBA COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 5661776 DUTPAMBASDFDAU-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4902892 XHUBXRIZJCFAQX-ZIAGYGMSSA-N 312.325 3.346 5 50 DGBA CCSCC[C@H](C)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 170613120 DMJHRJNTFSVGDK-JTQLQIEISA-N 308.407 3.439 5 50 DGBA O=[N+]([O-])c1ccccc1N[C@H]1CCCN(CC(F)(F)F)C1 253426753 AUBQBNMUOAXNQU-JTQLQIEISA-N 303.284 3.033 5 50 DGBA O=C(NCc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 168558 DWCICSZAWDNOGJ-UHFFFAOYSA-N 308.696 3.317 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1F 460728 ZABGQTSNYLKXBX-NSHDSACASA-N 318.304 3.448 5 50 DGBA Cc1ccc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 4802517 CVSBXZHUPWYUBL-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1 5049176 IGKQVXLNXZLGMT-UHFFFAOYSA-N 315.329 3.430 5 50 DGBA COc1ccc(-c2nnc3ccc4ccccc4n23)cc1[N+](=O)[O-] 80329 KFMQOUKGCSAUEB-UHFFFAOYSA-N 320.308 3.466 5 50 DGBA O=C(CSCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 3080995 VXOGQYXTIXZZRA-UHFFFAOYSA-N 302.355 3.467 5 50 DGBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2=O 4958123 LDXZVWDUTCKNAD-SJORKVTESA-N 316.357 3.319 5 50 DGBA CC[C@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2c2ccccc12 19877688 MCPPSAYOIQJUQS-LLVKDONJSA-N 311.341 3.479 5 50 DGBA Nc1c(-c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[nH]c1=O 28048510 GYAWOVGCEQLWHW-UHFFFAOYSA-N 315.716 3.339 5 50 DGBA in-vitro O=[N+]([O-])c1cc2c(Nc3cnn(C4CCC4)c3)ncnc2s1 897104923 DUUVKSACTWMNTD-UHFFFAOYSA-N 316.346 3.265 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccccc1 475700 BJPGMFNKWVKACT-NSHDSACASA-N 300.314 3.346 5 50 DGBA CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 317167 KUZDKJPDXJRULI-OAHLLOKOSA-N 313.309 3.413 5 50 DGBA COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 460804 UBAVTVJYMAZFHL-UHFFFAOYSA-N 320.732 3.438 5 50 DGBA CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 187564 LASNDSHWBVPSLM-KRWDZBQOSA-N 309.325 3.292 5 50 DGBA C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 120496073 CYAIYJAKRUAPTI-NHYWBVRUSA-N 312.329 3.215 5 50 DGBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1Cl 3204490 AZVXYOSFPKXBGQ-UHFFFAOYSA-N 302.673 3.049 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CC(C)(C)C 150277 JNZPJZAPPJGBLH-UHFFFAOYSA-N 309.391 3.152 5 50 DGBA O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F 38836 VFVRWIQOJJIHEH-UHFFFAOYSA-N 324.695 3.405 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)o1 207693 CWKDJIZLRFMCGP-UHFFFAOYSA-N 321.764 3.163 5 50 DGBA CN(C)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 463132 FPSWDZHMNLEMIJ-KPKJPENVSA-N 311.341 3.313 5 50 DGBA Cc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1 1385542 MCCHURHSWUEPDH-UHFFFAOYSA-N 322.324 3.341 5 50 DGBA O=C(O)c1cc2c(ccc3cc(Br)ccc32)oc1=O 5196868 JDIGKEZULOGALK-UHFFFAOYSA-N 319.110 3.407 5 50 DGBA CC(C)(NC(=O)CNc1ccccc1)c1ccc([N+](=O)[O-])cc1 236660723 YWBGSXJMCLZBMU-UHFFFAOYSA-N 313.357 3.058 5 50 DGBA Cn1c(CNc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1 127000598 AWQRZIUVABUBQY-UHFFFAOYSA-N 321.768 3.256 5 50 DGBA C/C=C1/C[N@+]2(C)[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 253487460 KRTATNOTKFNEFT-JXBGFOPPSA-N 309.433 3.169 5 50 DGBA Nc1nc(N[C@H](c2ccc(F)cc2)C2CCC2)ncc1[N+](=O)[O-] 301172744 FKHGOSSXKXRGIM-ZDUSSCGKSA-N 317.324 3.059 5 50 DGBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2141555 FJBNZXLOSWVYDC-UHFFFAOYSA-N 301.488 3.043 5 50 DGBA CCn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4764653 ZRCJVBGETMAZGI-FMIVXFBMSA-N 321.336 3.495 5 50 DGBA CC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1 2751958 XRJIHZYUABFMFG-FNORWQNLSA-N 300.270 3.042 5 50 DGBA O=C1CCc2cc(Oc3ncc(Cl)cc3[N+](=O)[O-])ccc2N1 153554964 MOFBPAOWCVKWFV-UHFFFAOYSA-N 319.704 3.320 5 50 DGBA CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 434743 WOAAIHJIPFJJJB-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[C@H]2C=C[C@H]1C2 298397491 GLDMHTOAIDAQLR-ATZCPNFKSA-N 324.283 3.347 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccccn2)no1 467069 GPGLVMWNWBKHHB-UHFFFAOYSA-N 302.677 3.360 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1Cn1ccnc1 252507294 WGIKAFVDUQLIDO-LBPRGKRZSA-N 306.753 3.114 5 50 DGBA CO[C@@H](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 240551389 GTKFSLIBEGCWEP-INIZCTEOSA-N 324.340 3.241 5 50 DGBA O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 271739 WYXCEUIAOIFZSG-UHFFFAOYSA-N 300.192 3.459 5 50 DGBA Cn1c(=O)c([N+](=O)[O-])c(NC2CCCCC2)c2ccccc21 6660111 JQTIKFZJFLILBN-UHFFFAOYSA-N 301.346 3.191 5 50 DGBA COc1cccc(N2CCO[C@H](c3ccsc3)C2)c1[N+](=O)[O-] 185557156 PEYDBWDNWDOSQF-AWEZNQCLSA-N 320.370 3.243 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1 196530965 UXGMMQXTYNJRBG-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1nn2c3cc(N4CCOCC4)ccc3nc2c2ccccc12 561783 OGUOXRPVMIPQFU-UHFFFAOYSA-N 318.380 3.181 5 50 DGBA CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 613346 GTTCJFYUBQWMJG-OAHLLOKOSA-N 313.313 3.194 5 50 DGBA Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3832891 KGHLCQBOJKOVFX-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 4775708 FMQFWJMJTOKIET-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA Cc1cc(O)ccc1NC(=S)Nc1cccc([N+](=O)[O-])c1 17030923 RUPPZXWDHSMXER-UHFFFAOYSA-N 303.343 3.418 5 50 DGBA CC[N+](CC)(CC)CCCCCN1C(=O)c2ccccc2C1=O 15636827 YGWRVPAUJDAOHJ-UHFFFAOYSA-N 317.453 3.329 5 50 DGBA C[C@H]1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4170511 OGZVPWVHKLFRRJ-DOTOQJQBSA-N 317.433 3.291 5 50 DGBA O=C(O)C=Cc1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 1857777547 NXEAFENRUYAQEV-UHFFFAOYSA-N 302.311 3.239 5 50 DGBA O=C(O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 1051136 ORPHEEJPDFCGKE-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA CN(C)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 2172858 QLBQEEKCKQKEEF-UHFFFAOYSA-N 318.308 3.444 5 50 DGBA Cc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 4090389 PXFSTNXNZVFFSH-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccs1 71032 RLTNIWJCLHLMDP-WQLSENKSSA-N 300.295 3.001 5 50 DGBA COc1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-] 585672423 SVRSYJPCHJIUBR-UHFFFAOYSA-N 300.030 3.385 5 50 DGBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 68132 RCNNPKVZVYQDCH-UHFFFAOYSA-N 311.253 3.041 5 50 DGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nnc2ccccc21 186781 VDZZUTLSGXXZHK-UHFFFAOYSA-N 308.219 3.348 5 50 DGBA CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 282261 GUJHJUOAEOBGFN-QGZVFWFLSA-N 309.325 3.292 5 50 DGBA Cc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1C 309020 AAZPLTKGWKFIQE-UHFFFAOYSA-N 313.309 3.251 5 50 DGBA COc1cc2c(=O)c3ccccc3sc2c(OC)c1OC 4991753 JIJBWXULNALZCK-UHFFFAOYSA-N 302.351 3.441 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C 38897 XYYIWOSMNNYQNJ-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA Cc1cc(Br)c(N)c(Br)c1[N+](=O)[O-] 7023435 VTJZDAXQMSBASS-UHFFFAOYSA-N 309.945 3.010 5 50 DGBA O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1Br 169725341 HLDMRQFFRUTUTM-UHFFFAOYSA-N 307.094 3.203 5 50 DGBA O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 241161287 JZQZFHGAUSFCLY-UXIGCNINSA-N 308.353 3.254 5 50 DGBA C/C=C1/C[N@+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 253487462 KRTATNOTKFNEFT-XNVHBYNZSA-N 309.433 3.169 5 50 DGBA COc1ccccc1Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 317016 OINFXSKSTFMZIJ-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA COc1cccc(OCCCOc2ccccc2[N+](=O)[O-])c1 2906353 XTXWQZJVCLLLHB-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C 168349 UHLFOPQZCHVMLR-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA COc1cc(C(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC 503884 PDHYFPIHWHWMFE-UHFFFAOYSA-N 321.716 3.496 5 50 DGBA biogenic CN(C[C@H]1CCCO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33462 KBXUAMHHJMNMHD-CYBMUJFWSA-N 319.386 3.334 5 50 DGBA CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(C)c1 3187360 GYCQTCCHIKHRMZ-UHFFFAOYSA-N 314.341 3.335 5 50 DGBA O=[N+]([O-])c1ccccc1OCCCN1CCc2ccccc2C1 5013270 WBFMMRJWYYZBCE-UHFFFAOYSA-N 312.369 3.422 5 50 DGBA COc1cc(C(=O)Oc2ccccc2C(C)=O)ccc1[N+](=O)[O-] 95802900 GENZJPOSABKOLJ-UHFFFAOYSA-N 315.281 3.025 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1 5009733 ZIMDKXQUCGFQDV-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA COc1cccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])c1OC 276189 WNLXHAIVUGPIHK-INIZCTEOSA-N 313.309 3.455 5 50 DGBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(OC)c1 447566 FMBFENAVDUTDLA-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=C(CCNc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4455837 ZRBMKFATBFLUMQ-UHFFFAOYSA-N 315.285 3.188 5 50 DGBA CCOC(=O)c1cc(Cl)c(Br)cc1[N+](=O)[O-] 242648388 QWBIBDXHJYUTBB-UHFFFAOYSA-N 308.515 3.187 5 50 DGBA O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 9295 MYKOWOGZBMOVBJ-UHFFFAOYSA-N 314.300 3.290 5 50 DGBA in-vitro O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 461901 AAMLMPBQHIEJKR-UHFFFAOYSA-N 319.700 3.288 5 50 DGBA O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 3407195 HNZKUTPWQZSIBU-UHFFFAOYSA-N 313.288 3.396 5 50 DGBA COc1cc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] 225579525 SEPGCVNLAMZOMF-LZWOXQAQSA-N 320.389 3.123 5 50 DGBA COc1ccc(O)c(-c2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)c1 13126648 PCVVSFGHNIMERT-UHFFFAOYSA-N 311.297 3.366 5 50 DGBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1 68118 SGUXBZFSELNKLC-UHFFFAOYSA-N 311.253 3.041 5 50 DGBA O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101668562 XJMWFVSZQMKZIL-KCQAQPDRSA-N 320.414 3.133 5 50 DGBA Cc1ccc(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 2325729978 UEQYNLRRIUXPMG-UHFFFAOYSA-N 300.314 3.268 5 50 DGBA CCn1ncc(Cl)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 355575 ZKPJMKXEXOVKKM-UHFFFAOYSA-N 308.725 3.025 5 50 DGBA O=[N+]([O-])c1cc(Cl)cnc1NCc1noc2ccccc12 225386881 KSQGQZBHHBDZCA-UHFFFAOYSA-N 304.693 3.397 5 50 DGBA COc1ccc(NC(=O)c2cc(Cl)ccc2O)c([N+](=O)[O-])c1 5358327 MZIYEUISFBDBPH-UHFFFAOYSA-N 322.704 3.215 5 50 DGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1Cl 2825975 RKCCAQVXJVYYPG-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 104227326 JJGBDTGDFFAGMT-UHFFFAOYSA-N 322.208 3.294 5 50 DGBA CCO[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1(C)C 170637127 KZZLWUOGZRVWMP-VXGBXAGGSA-N 313.785 3.283 5 50 DGBA NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 180441698 PALSHYSOVZZSRU-CQSZACIVSA-N 319.748 3.277 5 50 DGBA CC(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl 4844729 ZVDLJOCTADKZDE-UHFFFAOYSA-N 311.769 3.443 5 50 DGBA Cc1cc2ncn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2cc1C 5060824 YGTPITAZIKWSLO-UHFFFAOYSA-N 324.340 3.200 5 50 DGBA COc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 176827 JYLRPHAGEAFOJJ-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 5732867 UTSVPXMQSFGQTM-NTCNTBNZSA-N 324.288 3.006 5 50 DGBA endogenous,in-man Cc1nc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] 225532585 UHIYKCSWILGEQR-SUMWQHHRSA-N 314.389 3.402 5 50 DGBA C[C@H](NCCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 239667956 BSHCXVDYEWCEFB-NSHDSACASA-N 303.337 3.209 5 50 DGBA Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc(C)c1O 241371405 MNHUAQXNGBTCMT-UHFFFAOYSA-N 300.314 3.478 5 50 DGBA COC(=O)CCCc1nc(-c2cccc([N+](=O)[O-])c2)cs1 252510933 ZRRCAZIBZYCQOQ-UHFFFAOYSA-N 306.343 3.214 5 50 DGBA COc1ccc(C=O)cc1COc1cc(F)ccc1[N+](=O)[O-] 374063 QTKHWQMVCWMOBX-UHFFFAOYSA-N 305.261 3.134 5 50 DGBA COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 4841767 KSFIJVRHKDQTID-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 291696 YTLJIUFZXSKMFZ-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 3997744 JLSFZJOMMBPTAM-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA O=C(NCc1ccco1)c1cc2c(ccc3ccccc32)oc1=O 348672 ZEXZHUPOEBZJDC-UHFFFAOYSA-N 319.316 3.469 5 50 DGBA Cc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 454495 GWJRJDRQWVPQFK-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1Br 4183927 SXOUOZZQWKGWDU-UHFFFAOYSA-N 303.131 3.487 5 50 DGBA CC1(C)C(=O)O[C@H](/C=C\c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O 12384115 FFGXYKSRDSNOTB-LJTDUEICSA-N 317.341 3.155 5 50 DGBA O=C(Nc1ccccc1[N+](=O)[O-])C(C(F)(F)F)C(F)(F)F 3844326 LNIIVZWDKYOIEO-UHFFFAOYSA-N 316.157 3.274 5 50 DGBA biogenic O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCc1ccccc1 4046647 QSMANPQWMAPYKO-UHFFFAOYSA-N 313.357 3.044 5 50 DGBA O=C(O[C@H]1C=C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 216409413 VYMDTEMQEMYLDP-PQTROMPISA-N 309.321 3.294 5 50 DGBA CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 613568 MFUHDDMCSUSJSX-AWEZNQCLSA-N 315.354 3.354 5 50 DGBA Cc1cccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)c1 1875323058 VASSGHIIPRGYKB-MRXNPFEDSA-N 311.341 3.121 5 50 DGBA O=[N+]([O-])c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2892966 RWNRIHCCPPEUBU-UHFFFAOYSA-N 312.241 3.220 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5092411 VLBPYGIPJYJMFX-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA COc1cccc(N2CCC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] 185305391 RPVYZDJAXKGWNT-LLVKDONJSA-N 319.386 3.444 5 50 DGBA COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 103427 VAWHVBUXCGGPNU-LLVKDONJSA-N 300.314 3.094 5 50 DGBA Cc1nn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1Cl 138220 ZSSMDYHFICQJHR-UHFFFAOYSA-N 314.128 3.403 5 50 DGBA CC(=O)N(C(C)=O)c1cc2oc3ccccc3c2cc1[N+](=O)[O-] 4798831 AEFUTBLSDZPZPE-UHFFFAOYSA-N 312.281 3.394 5 50 DGBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 4839167 XDXAEXFPMSHWEU-UHFFFAOYSA-N 308.297 3.033 5 50 DGBA Cc1nn(-c2cc(Cl)ccc2[N+](=O)[O-])c(=O)c2ccccc12 36179 FENJTMDAMNDVCA-UHFFFAOYSA-N 315.716 3.256 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)C(C(F)(F)F)C(F)(F)F 4017907 VBVHTKCOELSAED-UHFFFAOYSA-N 316.157 3.274 5 50 DGBA biogenic CCc1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5094721 CJRXGUUSQNJYFA-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA COCCc1nsc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 225543604 VEHWQHVNBUQLIQ-UHFFFAOYSA-N 315.738 3.081 5 50 DGBA COc1cc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] 241815975 SEPGCVNLAMZOMF-IIAWOOMASA-N 320.389 3.123 5 50 DGBA COCCc1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 225544035 NNXDOHUWHQXFGU-UHFFFAOYSA-N 315.738 3.081 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCC(N2CCCCCC2)CC1 317857 FDCAGZZEHFYTFX-UHFFFAOYSA-N 317.433 3.435 5 50 DGBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 467547 QPYBTMGYDDQGAB-UHFFFAOYSA-N 311.253 3.041 5 50 DGBA CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 451348 GHIZPBPMKQXDQS-LBPRGKRZSA-N 314.341 3.485 5 50 DGBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 248123212 VXTVPCLBMPBAPQ-RSUWNVLCSA-N 320.389 3.303 5 50 DGBA Cc1ccc([N+](=O)[O-])c(OCC(=O)OCc2ccccc2)c1 670427167 QBDQCTLDVASJSW-UHFFFAOYSA-N 301.298 3.025 5 50 DGBA CCO[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1(C)C 170637126 KZZLWUOGZRVWMP-RYUDHWBXSA-N 313.785 3.283 5 50 DGBA CCOC(=O)COc1ccc2ccccc2c1/C=C(\C)[N+](=O)[O-] 302716 WKPZUQFRBDBKHB-ZRDIBKRKSA-N 315.325 3.419 5 50 DGBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 157476 UNQNIANBMFBFLI-UHFFFAOYSA-N 314.326 3.332 5 50 DGBA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 269205501 UDUYWICWCBILKN-UEKVPHQBSA-N 304.346 3.094 5 50 DGBA Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 408226288 MWWPNCAPKLTJCC-UKRRQHHQSA-N 317.389 3.145 5 50 DGBA CCCC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800273 LQULIEUEFOSNRD-UHFFFAOYSA-N 321.211 3.260 5 50 DGBA Cc1cc(C)nc(Sc2ccc3nsnc3c2[N+](=O)[O-])n1 121968 XURGHKVTLSPTCX-UHFFFAOYSA-N 319.371 3.158 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1 291925 OSFWJQQAVXQHHT-UHFFFAOYSA-N 321.764 3.163 5 50 DGBA CC(=O)c1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 253422857 DDMJFUIYZGQFDU-XJKSGUPXSA-N 306.362 3.413 5 50 DGBA CC1=C(C)C[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 18127977 RAEABGVBEUBZBQ-ZIAGYGMSSA-N 314.341 3.139 5 50 DGBA CC(=O)c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 301986236 CWVKFHZCTLJLLO-UHFFFAOYSA-N 305.721 3.458 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1 337786 CYRUJMCNLKHNPT-UHFFFAOYSA-N 320.732 3.438 5 50 DGBA O=[N+]([O-])c1ccc(CSc2nnnn2C2CCCCC2)cc1 4841702 JGKWOTAPXMZSEB-UHFFFAOYSA-N 319.390 3.379 5 50 DGBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](CO)C2)o1 4986607 FJJOKZBVCRHNQS-CYBMUJFWSA-N 316.357 3.059 5 50 DGBA COc1ccccc1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 239619528 BFHMDFGITICTAP-UHFFFAOYSA-N 300.314 3.418 5 50 DGBA Cc1cc(C)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 272744 BDSRIFVUDPZINF-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1nn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(O)c1C 100686808 LEJAQCBKHAZCAO-UHFFFAOYSA-N 316.342 3.226 5 50 DGBA O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCc2c(F)cccc21 183767462 JXTAQTQTWYWFAS-UHFFFAOYSA-N 322.242 3.215 5 50 DGBA O=c1c2ccc(Cl)cc2ncn1Cc1ccccc1[N+](=O)[O-] 5717325 QZNWUKUZWBESJM-UHFFFAOYSA-N 315.716 3.006 5 50 DGBA O=c1[nH]c(SCc2ccccc2[N+](=O)[O-])nc2ccccc12 5819109 PTKRTQMJSZNPPF-UHFFFAOYSA-N 313.338 3.124 5 50 DGBA CC(=O)c1csc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 170592260 ZNTZHQAKBGGROC-UHFFFAOYSA-N 304.327 3.420 5 50 DGBA CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccncc1F 172713895 ABQZDCMRXFTDPQ-UHFFFAOYSA-N 323.711 3.055 5 50 DGBA Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 358143 MPEZDYPJNPJYCX-UHFFFAOYSA-N 322.324 3.341 5 50 DGBA COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 4014070 BBVVUXKKUJDEND-UHFFFAOYSA-N 322.704 3.215 5 50 DGBA COc1c(Br)cc([N+](=O)[O-])c(C)c1Br 6068982 RBAJFFLBHVZCDY-UHFFFAOYSA-N 324.956 3.437 5 50 DGBA Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] 6278705 LYKGXKFXKXWPPG-UHFFFAOYSA-N 315.285 3.372 5 50 DGBA COc1cccc2c(=O)n3c4ccc(O)cc4c4ccnc(c12)c43 1875338433 XZDBJSBBPHDZEX-UHFFFAOYSA-N 316.316 3.306 5 50 DGBA COc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288685 VFBZWJANJMOXTG-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA O=C(O[C@H]1C=C[C@@H]2C=C[C@H]3C=C[C@@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 101138888 VYMDTEMQEMYLDP-NXAPBCJLSA-N 309.321 3.294 5 50 DGBA CCc1onc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1C 163162260 RWOXNUNVQRAPQU-UHFFFAOYSA-N 304.306 3.406 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1 372641 ICMLDGJMGPWOEB-LBPRGKRZSA-N 300.314 3.309 5 50 DGBA COc1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 471219 QACFMIWOMMCOAL-GFCCVEGCSA-N 314.341 3.023 5 50 DGBA COc1cc(NCc2ccccc2[N+](=O)[O-])cc(OC)c1OC 23283377 VRXDVKAHDLXBFJ-UHFFFAOYSA-N 318.329 3.233 5 50 DGBA COC(=O)c1cccc2cc([N+](=O)[O-])n(C(=O)OC(C)(C)C)c12 261493889 LIUWRMMQNUEOAP-UHFFFAOYSA-N 320.301 3.119 5 50 DGBA COC(=O)c1cc(C)sc1NC(=O)c1cccc([N+](=O)[O-])c1 371133 ZRQPMIDUXXKLTE-UHFFFAOYSA-N 320.326 3.004 5 50 DGBA Cn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21 4844280 PSRQMFQDOIUUGR-UHFFFAOYSA-N 323.352 3.101 5 50 DGBA COc1ccc(OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 102891 FSDJKKNLOBZNLQ-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 95831088 GNSSZCXIZMFHDX-CQSZACIVSA-N 322.361 3.373 5 50 DGBA CC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 614132 JDOIWOFBUGHZFR-UHFFFAOYSA-N 313.309 3.083 5 50 DGBA O=[N+]([O-])c1cccc(OCCCOc2cccc([N+](=O)[O-])c2)c1 1704134 WPUUBEBNMZPNCP-UHFFFAOYSA-N 318.285 3.351 5 50 DGBA CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2ccccc2[nH]1 253392662 KAQGFOWJPKIZHH-UHFFFAOYSA-N 323.352 3.391 5 50 DGBA COc1ccc(OCc2nc(C(C)(C)C)co2)c([N+](=O)[O-])c1 952991656 CTJYJHBFTWHQJI-UHFFFAOYSA-N 306.318 3.468 5 50 DGBA COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 447700 CPQKCKBCOLQKFX-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA COc1cccc(OC)c1OCCOc1ccccc1[N+](=O)[O-] 2987021 ZSGMFHZSGCSUHE-UHFFFAOYSA-N 319.313 3.070 5 50 DGBA COc1cccc(OC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 4794280 QZKUGXYMMLQIPH-UHFFFAOYSA-N 306.249 3.353 5 50 DGBA O=[N+]([O-])c1c(Br)cccc1N1CCC(F)(F)C1 169725363 NFHVTUHIFPOQRT-UHFFFAOYSA-N 307.094 3.203 5 50 DGBA CC[C@H](C)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F 277507355 FICAXYMAMXVBOU-WRWORJQWSA-N 322.258 3.441 5 50 DGBA COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2OC)cc1 1732595 RMJMTMBXNPFJDB-UHFFFAOYSA-N 317.301 3.256 5 50 DGBA COc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC 140308 PCCRDMCQSCHCTK-QGZVFWFLSA-N 313.309 3.455 5 50 DGBA Cc1cc(C)cc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 443638 JGMGAJLDMLBWMS-UHFFFAOYSA-N 318.304 3.368 5 50 DGBA CCOc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] 444453 XQRXFCDGFWAYDL-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(F)cc1 475947 FUXWRSCGWPJFEP-RUDMXATFSA-N 316.288 3.394 5 50 DGBA C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 100548066 KPYIUCXVOGYSCQ-BLLLJJGKSA-N 324.336 3.278 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 2493785 DYDBCOJIWRWNKU-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA O=C(NCCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 299848 XOFHJGXVFIWQSS-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA O=[N+]([O-])c1ccc(NC[C@H](O)c2ccccc2)c2ncccc12 4046012 JRQOWPJRZGLPCA-INIZCTEOSA-N 309.325 3.289 5 50 DGBA Cc1cc(C)nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1 5123860 VOLMITBBTHYMNC-UHFFFAOYSA-N 315.358 3.170 5 50 DGBA COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] 102205 PYAOCFNFRBCKTM-UHFFFAOYSA-N 314.297 3.058 5 50 DGBA CCC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 444503 YFDCJGBLOVLJBR-UHFFFAOYSA-N 313.313 3.196 5 50 DGBA Cc1c(Br)c([N+](=O)[O-])nn1Cc1ccccc1F 4867804 MTNGOQXKPVJONT-UHFFFAOYSA-N 314.114 3.050 5 50 DGBA O=[N+]([O-])c1cc(Br)c(F)c(Br)c1F 263624250 ORWMPRNHBSAQPM-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA CCCCOc1ccc(CSc2ncn[nH]2)cc1[N+](=O)[O-] 18206490 XELLERCMSGNUTL-UHFFFAOYSA-N 308.363 3.184 5 50 DGBA COc1cccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)c1 446378 ZBVCNQAFVKYWNM-UHFFFAOYSA-N 300.314 3.288 5 50 DGBA CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 610604 BYLIPDSORXIETK-HNNXBMFYSA-N 300.314 3.229 5 50 DGBA O=Cc1cn(-c2ccccc2F)nc1-c1cccc([N+](=O)[O-])c1 732223 YCGPYBMBOHMDII-UHFFFAOYSA-N 311.272 3.399 5 50 DGBA C[C@H](c1cnccn1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 170596964 LQCLKXUTEZZCQU-SNVBAGLBSA-N 306.753 3.231 5 50 DGBA O=[N+]([O-])c1c(Nc2ccccc2O)cc(Cl)c2nonc12 3879007 BBXXJKHZFAFARR-UHFFFAOYSA-N 306.665 3.234 5 50 DGBA Nc1ncnc(Nc2ccc(Nc3ccccc3)cc2)c1[N+](=O)[O-] 3912570 KCUFQGCHVIXBAI-UHFFFAOYSA-N 322.328 3.454 5 50 DGBA COc1ccc(C(=O)C[C@@](C)(O)c2cccc([N+](=O)[O-])c2)cc1 5046475 PARBWVHAZFFJOC-QGZVFWFLSA-N 315.325 3.084 5 50 DGBA O=[N+]([O-])c1ccc(NC2CC(c3ncc[nH]3)C2)cc1OC(F)F 1776005887 ONPJVLSYMGSDEY-UHFFFAOYSA-N 324.287 3.277 5 50 DGBA O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 4175748 RBVKXRSRDUYZNN-SNVBAGLBSA-N 302.252 3.009 5 50 DGBA COCC1(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCC1 282242498 AQDLOASIILUXSI-UHFFFAOYSA-N 321.377 3.150 5 50 DGBA COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 447595 FZXZSKNVGVDDJW-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=[N+]([O-])c1cnn(CSc2c(F)c(F)cc(F)c2F)c1 2782760 XBGHMGRQQFDPSE-UHFFFAOYSA-N 307.228 3.098 5 50 DGBA CCCc1[nH]nc(-c2nc(-c3cccc(F)c3)no2)c1[N+](=O)[O-] 170609053 BZEJNMLHNZPSSV-UHFFFAOYSA-N 317.280 3.127 5 50 DGBA O=[N+]([O-])c1ccc(O)cc1CN1CCS[C@@H]2CCCC[C@H]21 241316861 LVNVKKGPPGKLRY-HUUCEWRRSA-N 308.403 3.160 5 50 DGBA CCCCN(CCCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1656363 HAWIWTYMXNVQBJ-UHFFFAOYSA-N 314.407 3.186 5 50 DGBA Cc1nn(CC(=O)Nc2cccc(Cl)c2C)c(C)c1[N+](=O)[O-] 371686 QAVTZXXGQYIIGX-UHFFFAOYSA-N 322.752 3.009 5 50 DGBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1 466141 VPDCVGSETYLZIM-BJMVGYQFSA-N 314.316 3.106 5 50 DGBA CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 125200814 XILDPBHRWFPCBE-UHFFFAOYSA-N 317.370 3.391 5 50 DGBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1O 1061812 VXVCUQCIFUMIKD-UHFFFAOYSA-N 318.354 3.172 5 50 DGBA COc1cc(CN[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC 4685511 NCSJCDQLPKXYEU-WCQYABFASA-N 308.378 3.280 5 50 DGBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]4[C@@H]23)c([N+](=O)[O-])c1 216406426 LCQCZRRBUXXKQU-BUONHZGMSA-N 304.302 3.064 5 50 DGBA CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 476835 GAYUQSLPZPSWJY-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2040029 NXVIYWNQRSLRGX-UHFFFAOYSA-N 312.241 3.220 5 50 DGBA biogenic CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(OC)cc2)c1 4095360 RHMCSNGLHRSJLL-UHFFFAOYSA-N 324.340 3.498 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)c1 178683 JFEGLLUBAXAQPT-MRXNPFEDSA-N 315.417 3.069 5 50 DGBA C[C@@H](Sc1ccncc1)C(=O)Nc1ccccc1[N+](=O)[O-] 119318763 UECLUPGUDKZKLI-SNVBAGLBSA-N 303.343 3.109 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 373673 XRWKKWKUZDFZQD-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA O=[N+]([O-])c1cc(Cl)cc(NCn2nnc3ccccc32)c1 2565381 UCMIFHUSQUSPPS-UHFFFAOYSA-N 303.709 3.063 5 50 DGBA CC(C)CC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 4725663 WYXYJUZDSBRIPT-UHFFFAOYSA-N 315.782 3.107 5 50 DGBA COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 103404 LUDVJXZQOCYZKF-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 5107295 FNUOZJFJSUIVSB-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA O=C(NC1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 15021136 LBQLJGUFWGRRPS-UHFFFAOYSA-N 313.151 3.030 5 50 DGBA in-vitro COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 1599009 YGDVHZZZOGFPNF-DUXPYHPUSA-N 316.269 3.388 5 50 DGBA CC[C@@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)n1nc(C)cc1C 4750406 TZPVEFKKEXTLOQ-OAHLLOKOSA-N 317.345 3.214 5 50 DGBA O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744833 GESBNQWSXIKIIJ-UHFFFAOYSA-N 311.253 3.041 5 50 DGBA O=[N+]([O-])c1cccc(-[n+]2cn3c(c2-c2ccccc2)SCC3)c1 6393154 IIEQKXIDKJPHEC-UHFFFAOYSA-N 324.385 3.446 5 50 DGBA COc1ccc(-n2cc(C=O)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 732214 GODZSYHPPFRLTA-UHFFFAOYSA-N 323.308 3.269 5 50 DGBA C[C@@H]1COc2ccccc2CN1C(=O)c1csc([N+](=O)[O-])c1 273036138 VREJKAURIMQTHT-SNVBAGLBSA-N 318.354 3.080 5 50 DGBA COc1ccc(Cl)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 183891 BJCTZIBTAXHRBG-UHFFFAOYSA-N 320.732 3.438 5 50 DGBA Cc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 454290 YPCNDQNSDDOHLD-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2 252441026 BODPOXCWBVHGKA-NLWGTHIKSA-N 302.438 3.181 5 50 DGBA biogenic COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)OCC2 1398128 YFIQNPPEJKAASY-KRWDZBQOSA-N 315.325 3.274 5 50 DGBA CCc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4869370 JIJWOSNYCBAZLH-UHFFFAOYSA-N 300.314 3.418 5 50 DGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 104242500 BTZHBTWYVHZJIQ-UHFFFAOYSA-N 310.266 3.156 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C)o1 106396 HAYCODFHXNYISB-SOFGYWHQSA-N 302.286 3.157 5 50 DGBA COc1cc(CN(C)Cc2cc(F)ccc2[N+](=O)[O-])ccc1O 177050334 PWJJEYJYDWSJTE-UHFFFAOYSA-N 320.320 3.080 5 50 DGBA O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)c([N+](=O)[O-])c1 5670921 WDCQDDNCBAIFEI-UHFFFAOYSA-N 315.694 3.192 5 50 DGBA CCOC(=O)c1csc2nc(-c3ccccc3[N+](=O)[O-])cn12 40440708 IRSKLZCUEHZASS-UHFFFAOYSA-N 317.326 3.148 5 50 DGBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 15443144 BIASKZQAUHXFGJ-DTORHVGOSA-N 304.268 3.227 5 50 DGBA O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 16970077 ASHQVUBDHNQTIG-UHFFFAOYSA-N 313.338 3.124 5 50 DGBA Cc1ccc(C(=O)NCCCNc2ccccc2[N+](=O)[O-])cc1 4703633 LWWRHNRDUVXSPC-UHFFFAOYSA-N 313.357 3.135 5 50 DGBA Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2923771 IRIXNJMNGNFXGF-UHFFFAOYSA-N 300.270 3.351 5 50 DGBA CO[C@@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1 130849912 RRIXDGOCWLDBHO-JTQLQIEISA-N 316.313 3.260 5 50 DGBA C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]12 221880471 ACHGEMTVKBYDCJ-JMSVASOKSA-N 303.362 3.031 5 50 DGBA O=C(O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 231399 KXADSLFKBGTPAX-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA Cc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 272191 FXZJNYOSPFOIHZ-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1ccccc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 452384 UTVMLCODOGXZEE-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 467930 LSXCCXTZKAXEMG-UHFFFAOYSA-N 311.253 3.041 5 50 DGBA O=[N+]([O-])c1ccc(O)cc1CN1CCS[C@H]2CCCC[C@H]21 241316860 LVNVKKGPPGKLRY-CABCVRRESA-N 308.403 3.160 5 50 DGBA O=[N+]([O-])c1cc2c(cc1CNc1ccc3c(c1)CCC3)OCO2 280320 LMIVQCASWBKUKJ-UHFFFAOYSA-N 312.325 3.424 5 50 DGBA CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c([N+](=O)[O-])c1 19891515 CBFGLJXBEHBLON-UHFFFAOYSA-N 312.329 3.332 5 50 DGBA CCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 355551 DKYIDPCXHXODGY-UHFFFAOYSA-N 322.752 3.334 5 50 DGBA O=C(O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 553175 MXJZDWLGEUXNPN-UHFFFAOYSA-N 311.728 3.476 5 50 DGBA O=[N+]([O-])c1cccc(NC(=S)N2CCc3ccccc3C2)c1 611535 CPTZGLPIHBJMKP-UHFFFAOYSA-N 313.382 3.350 5 50 DGBA CCc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4056348 HDLLVYKLGYWONR-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA COc1cc(CN[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC 4685508 NCSJCDQLPKXYEU-YPMHNXCESA-N 308.378 3.280 5 50 DGBA O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 241161285 JZQZFHGAUSFCLY-LNSITVRQSA-N 308.353 3.254 5 50 DGBA CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 253431575 HPSSOCINMWIBLO-ANFZBRINSA-N 314.382 3.226 5 50 DGBA CC[C@H](C)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F 277507341 FICAXYMAMXVBOU-CPCISQLKSA-N 322.258 3.441 5 50 DGBA COC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 205544 YXRAIEJHHPRBQI-UHFFFAOYSA-N 305.337 3.219 5 50 DGBA O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 570058 LLWJMWIHGDELOZ-UHFFFAOYSA-N 311.341 3.447 5 50 DGBA O=[N+]([O-])c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1 3016251 BSRVMNATTSYMAR-UHFFFAOYSA-N 306.259 3.005 5 50 DGBA CCOC(=O)[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] 55292332 FRFAJJXCQRURMU-DYLHUKMJSA-N 318.373 3.026 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1Cn1ccnc1 252507293 WGIKAFVDUQLIDO-GFCCVEGCSA-N 306.753 3.114 5 50 DGBA Cc1cc(C)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 439661 PLSYOYMERCETIO-UHFFFAOYSA-N 310.309 3.321 5 50 DGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2F)c([N+](=O)[O-])c1 104230469 ICPWCBARTQWDKC-UHFFFAOYSA-N 322.208 3.294 5 50 DGBA C[C@@H]1CCSCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] 192353700 YFRARNVMXUEPSQ-SECBINFHSA-N 314.794 3.216 5 50 DGBA Cc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 438114 JEVYLXHIDYTLOV-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1 4052472 ONRIERHYABOYFI-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCN(C3CCCCCC3)CC2)c1 4724563 YXAXQINPSUKXCW-UHFFFAOYSA-N 317.433 3.435 5 50 DGBA CC[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 4989066 DTHBNBYFAKIVGS-ZDUSSCGKSA-N 308.378 3.377 5 50 DGBA CCOC(=O)c1cc(Br)c(Cl)c([N+](=O)[O-])c1 160783981 WABNGGIFKDTJIW-UHFFFAOYSA-N 308.515 3.187 5 50 DGBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2ccccc2)cc1 105352 PKTHZCYRISYSSG-UHFFFAOYSA-N 322.324 3.248 5 50 DGBA Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 4608488 DSAHHQNMPFGCQC-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 4905322 ZCIRNCQSMFKUFX-UHFFFAOYSA-N 320.688 3.229 5 50 DGBA COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])OCC2 6668135 CBQUSUJZWFYJKN-QGZVFWFLSA-N 315.325 3.274 5 50 DGBA biogenic,in-vitro COc1ccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 471218 QACFMIWOMMCOAL-LBPRGKRZSA-N 314.341 3.023 5 50 DGBA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 312993 WCXWRQHRYBYAMT-GFCCVEGCSA-N 313.309 3.331 5 50 DGBA O=C(NCc1ccco1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 1123085 ZYWHNWWXUDJPMD-UHFFFAOYSA-N 314.341 3.316 5 50 DGBA CN(C(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1[N+](=O)[O-] 143115381 KMULZMCMEMSUJJ-UHFFFAOYSA-N 306.240 3.383 5 50 DGBA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F 408467527 LHPWSJXSUOIJGJ-XPKDYRNWSA-N 323.368 3.039 5 50 DGBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O 466838 OXCRFIHORYYAFI-UHFFFAOYSA-N 307.689 3.311 5 50 DGBA COc1cc(CO)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 469790 KZLJWMLUNKSHKU-UHFFFAOYSA-N 323.732 3.328 5 50 DGBA CCOc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 2984042 VMTQYIBVWDSQAA-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 4689069 QASWOLGBQPWCQJ-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA O=C(CSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 4978024 KSFBFBLRFOLLBG-UHFFFAOYSA-N 306.318 3.465 5 50 DGBA O=C(COc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 94149 MAQRDBVPTLBTLI-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4819018 JXNDZUISJYYGLW-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@@H]1c1nnc[nH]1 294887025 FTHAHRUVTNLDCF-LLVKDONJSA-N 307.741 3.098 5 50 DGBA CCn1ncc(N[C@@H]2CCNc3ccc([N+](=O)[O-])cc32)c1C 1875298657 ITNBVJPRNASCTF-CQSZACIVSA-N 301.350 3.088 5 50 DGBA CCO[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1(C)C 170637129 KZZLWUOGZRVWMP-NEPJUHHUSA-N 313.785 3.283 5 50 DGBA Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 127832727 UUNWTQYACBAOQK-NSHDSACASA-N 304.302 3.457 5 50 DGBA CCCN(C(=O)c1ccncc1F)c1cccc([N+](=O)[O-])c1 194136618 GZFNDADOTALZNP-UHFFFAOYSA-N 303.293 3.186 5 50 DGBA CC(C)(NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1 253418323 OFGFTBNVGGIRKQ-UHFFFAOYSA-N 318.304 3.105 5 50 DGBA CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 442145 BGBOJNGAGKNDBG-UHFFFAOYSA-N 313.313 3.196 5 50 DGBA O=C(NCc1ccc(-n2cccc2)cc1)c1cccc([N+](=O)[O-])c1 1426637 CWSSCCGHZCXMHB-UHFFFAOYSA-N 321.336 3.316 5 50 DGBA O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 272279 OAEWODJOQXHPGS-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 291489 DIKOAJJMWYFWKA-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA O=C(O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 618628 JJCMFGBUKOOVHI-UHFFFAOYSA-N 309.281 3.146 5 50 DGBA COc1cccc(N2CCC[C@@H](c3cc(C)n[nH]3)C2)c1[N+](=O)[O-] 282191813 HIDNQDXRRJIFSR-GFCCVEGCSA-N 316.361 3.019 5 50 DGBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(F)c1 332091 BGWWKMRUDDTLQQ-ZROIWOOFSA-N 312.256 3.078 5 50 DGBA O=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 316557 ANXAMJJMBSEXNB-UHFFFAOYSA-N 305.673 3.280 5 50 DGBA Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1[N+](=O)[O-] 3879024 ILLWCOJYYMIEKF-UHFFFAOYSA-N 315.245 3.091 5 50 DGBA Cc1ccc([N+](=O)[O-])c(OCCN2CCc3ccccc3C2)c1 20322522 AUIABNOHKCXLLO-UHFFFAOYSA-N 312.369 3.340 5 50 DGBA CC(=O)c1ccc(N(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 273100648 DZQPDKIIYWWHSC-JTQLQIEISA-N 319.386 3.494 5 50 DGBA O=C(O)Cc1ccc2oc(-c3ccc([N+](=O)[O-])c(F)c3)nc2c1 601014539 ROBQMRHMRJVONQ-UHFFFAOYSA-N 316.244 3.169 5 50 DGBA COc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1 2906176 BTRIFMAJWYNGOD-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA C[C@H]1CC(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2N1 4622921 JXFUOUHKKGPPQW-LBPRGKRZSA-N 311.341 3.332 5 50 DGBA COc1c(Br)cc([N+](=O)[O-])cc1Br 73030 DXMVGEQBXPPGFL-UHFFFAOYSA-N 310.929 3.128 5 50 DGBA CCOc1ccc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 451056 LVGYXXODKTYUIO-GFCCVEGCSA-N 314.341 3.485 5 50 DGBA CC(C)(C)OC(=O)N1CCC(Oc2ccccc2[N+](=O)[O-])CC1 2563888 QQKRXIBPRNXHHS-UHFFFAOYSA-N 322.361 3.373 5 50 DGBA O=[N+]([O-])c1ccc(Sc2nnc(Cc3ccccc3)o2)nc1 1077703 JJNYTJSGEMXDLT-UHFFFAOYSA-N 314.326 3.115 5 50 DGBA CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2988762 BPEIMMVFWIGKAF-GFCCVEGCSA-N 314.407 3.088 5 50 DGBA O=c1c2cc(Br)ccc2oc2cc(O)cc(O)c12 30819579 UELZRCNDZXKHEF-UHFFFAOYSA-N 307.099 3.120 5 50 DGBA biogenic,in-vitro NC(=O)c1cc([N+](=O)[O-])cnc1SCc1ccccc1Cl 225633577 BGPXOXSUMCRCND-UHFFFAOYSA-N 323.761 3.034 5 50 DGBA Cc1ccnc(N[C@@H](C)c2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] 1776006534 XCLBINDLWDMISA-ZETCQYMHSA-N 315.255 3.213 5 50 DGBA CN(C)C1=Nc2ccc([N+](=O)[O-])cc2N(c2ccccc2)C(=O)C1 101360849 JRMMYHPPJFNGMG-UHFFFAOYSA-N 324.340 3.255 5 50 DGBA CCSc1ccc(C(=O)Nc2cccnc2)cc1[N+](=O)[O-] 84259 KRENEGHTKHVXRX-UHFFFAOYSA-N 303.343 3.354 5 50 DGBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 115700 FQGAUPZLCRDEOS-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA CN(C)CCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] 219887 YJAFDYNHHXQGKC-UHFFFAOYSA-N 313.401 3.159 5 50 DGBA COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 318619 BOBKVWCVEYQGOQ-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCC(C)CC2)c1 4841226 BAVHDYNTQWNLHD-UHFFFAOYSA-N 322.405 3.031 5 50 DGBA COc1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 444198 NBFFXYSNRRTKBT-RUDMXATFSA-N 316.288 3.394 5 50 DGBA O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3152017 VILQMPIMEJDIEL-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA biogenic CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 358651 HWJNYRAMQKNSCR-UHFFFAOYSA-N 314.341 3.483 5 50 DGBA C[C@H]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 4007904 WUWILQZPXWWLBC-WMLDXEAASA-N 303.406 3.296 5 50 DGBA CCc1nccn1CCNc1ccc2ncccc2c1[N+](=O)[O-] 952992388 LRRYWYLPLOHCCH-UHFFFAOYSA-N 311.345 3.014 5 50 DGBA COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 259036 GWMMSTSFEZAKFT-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA Cc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 55543029 MNWQPEBUTSBMOS-UHFFFAOYSA-N 311.385 3.225 5 50 DGBA Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 38913 AEHCPJOJOCNRGJ-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA Cc1cc(Br)c([N+](=O)[O-])c(Br)c1N 36532869 FXPFCDKCGCSKLO-UHFFFAOYSA-N 309.945 3.010 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 4774196 PNOBPIAMISSWOG-UHFFFAOYSA-N 322.118 3.005 5 50 DGBA CCOc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 2987004 NIMDTEADPUBWTM-UHFFFAOYSA-N 303.314 3.451 5 50 DGBA Cc1cc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 4289702 XBWLUAKLAAIPGE-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA O=c1c2cc(O)ccc2c2nccc3c4cc(O)ccc4n1c32 1875338023 MCFRIGSIRSSDHP-UHFFFAOYSA-N 302.289 3.003 5 50 DGBA Cc1c([C@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])cnn1C 301900318 UPUISNOQEIIBFB-GFCCVEGCSA-N 321.768 3.027 5 50 DGBA COc1cc(C[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1OC 1421961 BDSMFEURTWCABV-MRVPVSSYSA-N 306.145 3.348 5 50 DGBA Cc1cc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1C 5041852 IDNGETHVPVXHFL-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C 4819540 UJBBURSHBJBTRV-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA Cc1c(Br)cc(Br)c(N)c1[N+](=O)[O-] 118636547 SVRROOZRCWBWDP-UHFFFAOYSA-N 309.945 3.010 5 50 DGBA O=[N+]([O-])c1ccc(CCN[C@H]2CCO[C@H]2c2ccccc2)cc1 191955079 PWFGQAISFDDHKJ-ROUUACIJSA-N 312.369 3.257 5 50 DGBA COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2529140 KBBPQAIKPVUPGG-UHFFFAOYSA-N 324.270 3.143 5 50 DGBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2C(C)C)n1 356030 RTWKXLMQRHTKOX-UHFFFAOYSA-N 316.361 3.495 5 50 DGBA O=[N+]([O-])c1cccc(-c2nnc(C(Cl)(Cl)Cl)o2)c1 221526358 QVQSNFMYUIFUEE-UHFFFAOYSA-N 308.508 3.472 5 50 DGBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1NC1CCCC1 1857526013 UDVUQBPLESKVLR-UHFFFAOYSA-N 302.290 3.406 5 50 DGBA Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl 231917 QTVCJNGIKCVAKG-UHFFFAOYSA-N 316.700 3.357 5 50 DGBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 3103923 MPKBHAOGHXLSFD-UHFFFAOYSA-N 301.258 3.064 5 50 DGBA O=[N+]([O-])c1c(F)c(Br)cc(F)c1Br 149469328 IKHKNAWYZYPTGT-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA Cc1cc(C)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 271793 WFZYFMYIHKNZPR-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]3C(F)F)co2)cc1 864091488 XLZJAIGHVXQOHL-LBPRGKRZSA-N 309.272 3.089 5 50 DGBA O=C(NCCc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 2991768 CVYLGUMBCVMLJN-UHFFFAOYSA-N 322.723 3.360 5 50 DGBA O=C(CSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1O 4843165 VHFIJCIPWJZKHY-UHFFFAOYSA-N 322.317 3.170 5 50 DGBA Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 4868462 JYAFYBBKRYKUTL-UHFFFAOYSA-N 318.354 3.340 5 50 DGBA Cc1cc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])ccn1 1875358416 VLQGGEAJXICWBB-VIFPVBQESA-N 303.347 3.181 5 50 DGBA COc1ccc(-c2noc(Cc3ccccc3[N+](=O)[O-])n2)cc1 461101 LMCKOMMAFLPRPN-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA Cc1ccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 2442555 VHEKBKZVGIIXOM-UHFFFAOYSA-N 323.352 3.357 5 50 DGBA O=[N+]([O-])c1ccccc1NCCNc1ccccc1[N+](=O)[O-] 4228207 KHMCOMFGTSIZPT-UHFFFAOYSA-N 302.290 3.027 5 50 DGBA C[C@@H](C(=O)NCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 2839354 VOCBOMZSHCFTTR-CQSZACIVSA-N 312.369 3.447 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1 5009867 KEGKYZZKYUCTDS-NSHDSACASA-N 316.313 3.009 5 50 DGBA CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] 178101090 XAQXOGRDARJYCV-QWHCGFSZSA-N 308.403 3.307 5 50 DGBA CN(Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1741734 SBWRWJOFQLNTDL-UHFFFAOYSA-N 303.293 3.398 5 50 DGBA Cc1cc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)C(=O)OC2 1422307 NRATYZOLZUKSMK-UHFFFAOYSA-N 316.338 3.261 5 50 DGBA CC1(C)C(=O)O[C@@H](c2cccc([N+](=O)[O-])c2)C2(CCCC2)C1=O 94615 OJEBFVXHSVXQGJ-ZDUSSCGKSA-N 317.341 3.348 5 50 DGBA O=[N+]([O-])c1c(F)c(F)cc(Br)c1Br 1706139 QRVCXRRZIUMPII-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA COC(=O)c1cccc2cc3c(=O)oc4ccccc4c3nc12 4784953 LQIQVPBNRMCLKJ-UHFFFAOYSA-N 305.289 3.281 5 50 DGBA CC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n(C)c1=O 2877585 RVPRPKZYTWKQHL-UHFFFAOYSA-N 322.320 3.316 5 50 DGBA O=[N+]([O-])c1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)cc1 4809891 XNAWKELAASXUKV-DAFODLJHSA-N 311.219 3.280 5 50 DGBA Cc1cc(OCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] 20168230 FBRBKTKKCNXOFU-HUUCEWRRSA-N 322.405 3.171 5 50 DGBA C[N@@+]12CCCC[C@@H]1[C@H](CNc1ccccc1[N+](=O)[O-])CCC2 253389843 SDYOTJCUHWNRJA-NQYLQCIDSA-N 304.414 3.416 5 50 DGBA biogenic Cc1oc2ncnc(NC(=O)c3ccccc3[N+](=O)[O-])c2c1C 225400056 XXIBIEIETJDXRN-UHFFFAOYSA-N 312.285 3.000 5 50 DGBA COc1cc(CNc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1O 34860051 IOMLLUUIQGWVFJ-UHFFFAOYSA-N 310.256 3.199 5 50 DGBA O=[N+]([O-])c1c(Br)cccc1NN1CCCCC1 169725354 FLQQGZDWXFMEND-UHFFFAOYSA-N 300.156 3.170 5 50 DGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1 3898289 BKJJXWSDOQNYCR-UHFFFAOYSA-N 322.118 3.005 5 50 DGBA Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] 4602456 XCZJSKVBFNKPSI-UHFFFAOYSA-N 301.258 3.064 5 50 DGBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1[N+](=O)[O-] 4996663 HNNMVPJVMKMBMP-JXMROGBWSA-N 313.269 3.155 5 50 DGBA O=[N+]([O-])c1ccc2c(c1Nc1ccccc1)=NC1(CCCCC1)N=2 100342076 QBBSUSGXTURGDV-UHFFFAOYSA-N 322.368 3.252 5 50 DGBA O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2cccnc2)ccc1O 5033028 LHEBYXWGXVRHGX-OAHLLOKOSA-N 313.357 3.423 5 50 DGBA COc1cc(CNC2CCCCCC2)c([N+](=O)[O-])cc1OC 263064 CRPHJWABDOKNBZ-UHFFFAOYSA-N 308.378 3.424 5 50 DGBA Cc1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])cc1C 482146 PFRRDZIYRQNJLV-UHFFFAOYSA-N 314.297 3.162 5 50 DGBA Cc1nc(NCc2nccn2-c2ccccc2)ccc1[N+](=O)[O-] 192758369 CEVDMTNTNMWAEJ-UHFFFAOYSA-N 309.329 3.096 5 50 DGBA O=[N+]([O-])c1c(N2CCC[C@H]2c2nccs2)nc2sccn12 364926971 SFUYOYJIDZMXOP-QMMMGPOBSA-N 321.387 3.102 5 50 DGBA O=[N+]([O-])c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 26896955 AGBFROYZKVNMRB-UHFFFAOYSA-N 307.722 3.392 5 50 DGBA CCOC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 103237 DKAUIVVHDYMSIO-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA Cc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 451033 JWAQOUCUQXAFDG-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)cc(C)c1 5013757 YLRGUXMTURARHC-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA O=Cc1ccc([N+](=O)[O-])c(OC(C(F)(F)F)C(F)(F)F)c1 169725224 GCKNFCNEWGNQSL-UHFFFAOYSA-N 317.141 3.279 5 50 DGBA O=[N+]([O-])c1ccc(NN2CCCCC2)cc1Br 169725335 GEMNZXJRWKLZKM-UHFFFAOYSA-N 300.156 3.170 5 50 DGBA COc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1 252462362 RTMOHIUWLIAADG-KPFFTGBYSA-N 318.437 3.261 5 50 DGBA biogenic CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1OC 4588266 LVZXUCCZEKFMSM-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA O=[N+]([O-])c1ccc(NC(=S)N2CCc3ccccc3C2)cc1 4755498 DJDMRVXDWZOFSB-UHFFFAOYSA-N 313.382 3.350 5 50 DGBA COc1nn(Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 4852094 HRMCHMWRJABKBK-UHFFFAOYSA-N 302.117 3.155 5 50 DGBA CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 253431580 HPSSOCINMWIBLO-FPQVQZPGSA-N 314.382 3.226 5 50 DGBA Cc1ccc(NC(=O)COc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 308609 XAXXKKKRRDZZBK-ZHACJKMWSA-N 312.325 3.260 5 50 DGBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 115703 KUMLNZOFVVRGPV-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1csc([N+](=O)[O-])c1)N2 153667939 WMFJOGNNDQUMPQ-ZDUSSCGKSA-N 303.343 3.161 5 50 DGBA CN(C)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3247951 DDFQJZYAZYIHIH-UHFFFAOYSA-N 300.314 3.018 5 50 DGBA CN1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 225845561 CEYCKUBSMVORCQ-WMZOPIPTSA-N 311.385 3.130 5 50 DGBA COc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)c1 4014081 ZZMZVNPERZQUAY-UHFFFAOYSA-N 322.704 3.215 5 50 DGBA Cc1cnn(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c1 363000832 QIPSYPUEGONSMK-UHFFFAOYSA-N 304.325 3.080 5 50 DGBA CCOC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] 101913 IBZPKGAXUXIGEW-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA CCCCOC(=O)CCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4105262 SQSVONOUJQLKRA-UHFFFAOYSA-N 310.306 3.169 5 50 DGBA Cc1cc(NC(=O)N(C)Cc2cscn2)ccc1[N+](=O)[O-] 170598166 SOFIIOHKNWUGRE-UHFFFAOYSA-N 306.347 3.024 5 50 DGBA CC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 434311 VEYAOLPWQNETBX-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA O=[N+]([O-])c1c(Nc2cccc(O)c2)cc(Cl)c2nonc12 4126578 RLGNDHVNTYCNDN-UHFFFAOYSA-N 306.665 3.234 5 50 DGBA O=[N+]([O-])c1ccc(-n2nnc3ccccc32)c(C(F)(F)F)c1 186787 PIMIVHIOYFBSSY-UHFFFAOYSA-N 308.219 3.348 5 50 DGBA COc1ccccc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 224861 PSGKFZVKKCRMIK-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA biogenic Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 435765 HRXLXAURNOOXQE-UHFFFAOYSA-N 304.733 3.487 5 50 DGBA CC(=O)Nc1ccc([N+](=O)[O-])c2c(Br)cccc12 4127886 LWIKPHBYTZMRQM-UHFFFAOYSA-N 309.119 3.469 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccco1 5049915 SXTJYJWTABLXIS-UHFFFAOYSA-N 301.302 3.040 5 50 DGBA CC(C)(CCC(=O)c1ccc(Br)cc1)[N+](=O)[O-] 5632633 USLTZVVUURDUCE-UHFFFAOYSA-N 300.152 3.467 5 50 DGBA CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 331107 QBTJNVOADKVMDJ-UHFFFAOYSA-N 318.304 3.314 5 50 DGBA Cc1ccc(C)c(NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1 1067730 CIXXPXHOSPLNPD-ZDUSSCGKSA-N 316.361 3.225 5 50 DGBA CC[C@@H](CC(F)(F)F)NC(=O)c1c(C)cccc1[N+](=O)[O-] 408514958 KIYNDPHQVUTWTB-VIFPVBQESA-N 304.268 3.364 5 50 DGBA Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C 5059716 PNHJEMHGZWHSEJ-UHFFFAOYSA-N 306.343 3.012 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NCCc1ccccc1 7522832 ROSRZAXWFNDWBQ-UHFFFAOYSA-N 315.398 3.432 5 50 DGBA CCc1nccn1Cc1ccc(Br)c([N+](=O)[O-])c1 159440223 AHMOCRFVLYTVJT-UHFFFAOYSA-N 310.151 3.165 5 50 DGBA CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 452605 SKYNZCPLXXVFGC-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA CC(C)COC(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1 6693272 RVDFSVVDUVHHKE-UHFFFAOYSA-N 313.309 3.464 5 50 DGBA O=C(c1csc([N+](=O)[O-])c1)N(CC1CCC1)CC(F)(F)F 175946188 VDRSZZKHAGPPLN-UHFFFAOYSA-N 322.308 3.461 5 50 DGBA CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] 178101128 XAQXOGRDARJYCV-OLZOCXBDSA-N 308.403 3.307 5 50 DGBA Cc1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2874937 HEENRMSDYGSFDN-UHFFFAOYSA-N 315.285 3.372 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 55544026 RWYVABHNBLMHEO-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA COCCOc1cc(Br)c(Cl)cc1[N+](=O)[O-] 95494767 TWNFDVCXFBHEQF-UHFFFAOYSA-N 310.531 3.036 5 50 DGBA CC[N+](C)(CC)CC[C@@H](C)OC(=O)[C@H]1OCCc2ccccc21 823478846 OBFOTZFVHPWCDH-QAPCUYQASA-N 320.453 3.109 5 50 DGBA O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc2ccccc2c1 1424772 TYTGZHWFZVXNTR-UHFFFAOYSA-N 324.340 3.363 5 50 DGBA Cc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2[N+](=O)[O-])cc1 71770326 QGNSEQTXDSOZSQ-UHFFFAOYSA-N 320.370 3.037 5 50 DGBA CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 153881339 LBQMVKBOMYYNSP-ZDUSSCGKSA-N 321.764 3.203 5 50 DGBA CCc1csc([C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)n1 253425557 FVFKNCAYAXYOFA-NSHDSACASA-N 318.402 3.393 5 50 DGBA O=[N+]([O-])/C=C/c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 71771247 BLARQRYLYKDODX-CMDGGOBGSA-N 300.270 3.421 5 50 DGBA COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 447413 LNSIRTCEFGRLQD-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=C(/C=C/c1ccccc1Cl)Nc1ncc([N+](=O)[O-])s1 4673526 JAXHUGGTWMRDQZ-AATRIKPKSA-N 309.734 3.357 5 50 DGBA O=c1ccn(Cc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] 174098929 YOJXETRCNBUNGO-UHFFFAOYSA-N 315.716 3.006 5 50 DGBA C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 252510829 CAKLQGSXOLKYSA-BLLLJJGKSA-N 318.352 3.014 5 50 DGBA COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 253647 VGZIWENQOCCSNJ-UHFFFAOYSA-N 316.313 3.173 5 50 DGBA O=C(Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1c(F)cccc1F 2848991 ZFIFXCXPOZFUHK-UHFFFAOYSA-N 324.195 3.000 5 50 DGBA COC(=O)[C@@H](C)CSc1cc(OC)c([N+](=O)[O-])cc1Cl 596128269 GNYXVLGBNJXYPI-ZETCQYMHSA-N 319.766 3.158 5 50 DGBA Cc1cc(C)c(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1CO 253398730 OPXPUYHFDLZAJP-UHFFFAOYSA-N 314.341 3.265 5 50 DGBA Cc1cccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 455134 MQMJKQWCJDNCEM-UHFFFAOYSA-N 315.354 3.030 5 50 DGBA CCCCOc1ccc(CSc2nc(C)n[nH]2)cc1[N+](=O)[O-] 4725057 XWBYSABLLPOCID-UHFFFAOYSA-N 322.390 3.493 5 50 DGBA N=c1c2c(=O)oc3ccccc3c2ccn1CCCc1ccco1 1776111389 SOLUONUVQUMBTH-UHFFFAOYSA-N 320.348 3.453 5 50 DGBA CC(=O)c1ccc(N2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 267243421 HIXZGWADNGHXED-AWEZNQCLSA-N 314.345 3.252 5 50 DGBA CC(C)CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 456062 NJLZGWQPXJVXNC-UHFFFAOYSA-N 315.782 3.107 5 50 DGBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 613625 VGLZUUWFHXIYSW-UHFFFAOYSA-N 312.753 3.076 5 50 DGBA Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104139919 ZUENYUGGLWYBTO-UHFFFAOYSA-N 318.245 3.463 5 50 DGBA CC(=O)c1ccc(N[C@@H]2CCc3ncccc3C2)c([N+](=O)[O-])c1 1615586416 VKSRXACREHOERI-CQSZACIVSA-N 311.341 3.162 5 50 DGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 3069527 REAXFDPZKNULSH-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA O=[N+]([O-])c1cnn(Cc2nc(-c3c(F)cccc3F)cs2)c1 130909368 ACXVFZPSVRVWSF-UHFFFAOYSA-N 322.296 3.241 5 50 DGBA O=Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1[N+](=O)[O-] 169725303 PQWKKIAWCOEKCF-UHFFFAOYSA-N 317.141 3.279 5 50 DGBA CC[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)OC 4056197 PGKDJZMJACWPLJ-HNNXBMFYSA-N 312.321 3.277 5 50 DGBA CCn1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 4369900 GVFCAFJCYDWFGG-ZHACJKMWSA-N 321.336 3.495 5 50 DGBA COc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 4962380 JUQSDJRNZBRVHE-UHFFFAOYSA-N 304.258 3.187 5 50 DGBA Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CCCO)c1 225573816 PLHCBKPFHWGWPZ-UHFFFAOYSA-N 314.341 3.080 5 50 DGBA Cc1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 20167583 KXANABLAIKYKPF-GJZGRUSLSA-N 322.405 3.171 5 50 DGBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1[C@H]2CC[C@H]1c1ccccc12 352607412 UCEMYZHZFBEHCM-KBPBESRZSA-N 310.309 3.332 5 50 DGBA O=[N+]([O-])c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 245223 YTKTZXSOTNZQAI-MDZDMXLPSA-N 304.327 3.007 5 50 DGBA CCOc1cc(CO)ccc1OCc1cccc([N+](=O)[O-])c1 470741 KSYZSWBWPZZXLP-UHFFFAOYSA-N 303.314 3.065 5 50 DGBA CCN(CC)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1 3848522 ZIWIJZWDGCTSPY-UHFFFAOYSA-N 312.462 3.279 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(F)c1 4799105 QGCZIIHESBVSOZ-UHFFFAOYSA-N 305.265 3.387 5 50 DGBA CC[N+](C)(CC)CC[C@@H](C)OC(=O)[C@@H]1OCCc2ccccc21 823478844 OBFOTZFVHPWCDH-CRAIPNDOSA-N 320.453 3.109 5 50 DGBA O=C(O)c1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2166229 VAGZUCBTHOUBNV-UHFFFAOYSA-N 320.688 3.199 5 50 DGBA CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 95831087 GNSSZCXIZMFHDX-AWEZNQCLSA-N 322.361 3.373 5 50 DGBA Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C 4841014 DSOYSKKIZITTKQ-UHFFFAOYSA-N 318.280 3.202 5 50 DGBA Cc1nn(CN(C2CCC(C)CC2)C2CC2)c(C)c1[N+](=O)[O-] 170639429 LBDAWYAJYQMZFM-UHFFFAOYSA-N 306.410 3.409 5 50 DGBA O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)c1ccsc1)CCC2 192886510 FEHSHWYPVUQOGN-HZPDHXFCSA-N 318.398 3.357 5 50 DGBA COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 447712 GZNHVEISXAKMGE-UHFFFAOYSA-N 300.314 3.473 5 50 DGBA O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 3997473 WJURWESBBCDFET-INIZCTEOSA-N 314.366 3.369 5 50 DGBA O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cccc(Cl)c1 474604 DEYVMCXSCPGOIA-UHFFFAOYSA-N 318.760 3.150 5 50 DGBA C[C@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 460824 ZAONBTNPYQACPN-JTQLQIEISA-N 304.277 3.140 5 50 DGBA O=C(CN1CCCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6861850 NVKUCQRRHBJMRJ-UHFFFAOYSA-N 311.769 3.063 5 50 DGBA CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc([N+](=O)[O-])c1 613667 RMULPOYYYSKDHQ-HNNXBMFYSA-N 313.313 3.194 5 50 DGBA C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 13394767 IYYZQBYMUSUVPU-AOOOYVTPSA-N 320.370 3.059 5 50 DGBA CC(C)(C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 15021103 WFQHGCOHRFRRHU-UHFFFAOYSA-N 302.124 3.313 5 50 DGBA in-vitro O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1 306496 OGHTZXZHIQOJCK-DHZHZOJOSA-N 311.293 3.034 5 50 DGBA O=C1c2ccccc2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 4104014 XEKNVZVYYMZIFM-UHFFFAOYSA-N 302.673 3.049 5 50 DGBA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 155942272 GRIKXMGAWMARGW-MDZLAQPJSA-N 322.361 3.223 5 50 DGBA O=[N+]([O-])c1cccc(OCCOCC(F)F)c1C(F)(F)F 1875252804 BLNXFCVUFATHKZ-UHFFFAOYSA-N 315.194 3.274 5 50 DGBA Cc1cc(N[C@H](C)c2cc3n(n2)CCCC3)ncc1[N+](=O)[O-] 952964674 VOUWSIMLCRMLFN-LLVKDONJSA-N 301.350 3.004 5 50 DGBA Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 4059567 YJMLFMFRVNBYHA-UHFFFAOYSA-N 321.340 3.169 5 50 DGBA Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 4059583 AIQAOHKVPCCRFA-UHFFFAOYSA-N 300.105 3.017 5 50 DGBA aggregator C/C=C1/C[N@@+]2(C)CCc3c4n(c5ccccc35)[C@@H](C(=O)O)[C@H]1C[C@@H]42 1772820086 MBYUFXAXLKULGV-WDPAWZTISA-O 323.416 3.291 5 50 DGBA CCOc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 183902 OSPXHUBMOLDZBH-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 376620 MGDYIPDOVNTYIC-RYUDHWBXSA-N 314.407 3.183 5 50 DGBA O=C(NCCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 442208 DMJLEAGIHVNINM-UHFFFAOYSA-N 304.733 3.221 5 50 DGBA CCc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4056696 MPVZSVGUVJLYLU-UHFFFAOYSA-N 300.314 3.175 5 50 DGBA CCc1nnc(CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 253415889 SPCBCCNASUYSNV-UHFFFAOYSA-N 304.350 3.450 5 50 DGBA O=[N+]([O-])c1cc(F)c(Br)c(Br)c1F 263623171 FISUTZTZUGJATB-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA Cc1conc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 1615056983 OPNVJSYPWYYGOD-AWEZNQCLSA-N 301.346 3.002 5 50 DGBA Cc1ccc2c(c1)C(=O)N(C)[C@H](c1csc([N+](=O)[O-])c1)N2 153667828 WMFJOGNNDQUMPQ-CYBMUJFWSA-N 303.343 3.161 5 50 DGBA COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=NCC2 439644 BPVLSVNRCFDQEG-UHFFFAOYSA-N 312.325 3.006 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 4724485 GEDFCCOZVDRIBS-MRXNPFEDSA-N 315.417 3.069 5 50 DGBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1Cl 4832280 YEJVCLLNJONGBH-UHFFFAOYSA-N 322.704 3.215 5 50 DGBA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cn1 4881670 QUSJIYKPVQUEGO-VIFPVBQESA-N 321.720 3.049 5 50 DGBA Cc1ccc([C@H](C)NC(=O)c2ccncc2Cl)cc1[N+](=O)[O-] 177844337 NLKQTCIIJNOWHM-JTQLQIEISA-N 319.748 3.443 5 50 DGBA Cc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] 303701 SJLXGKJNOAFKOX-UHFFFAOYSA-N 320.374 3.305 5 50 DGBA COC(=O)c1sccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 1200653 VZIAOMQLEQCUCO-UHFFFAOYSA-N 320.326 3.004 5 50 DGBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2ncccc12 2865859 NVAFMPNWEXPVTP-UHFFFAOYSA-N 323.308 3.161 5 50 DGBA Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N 3848519 WULISCVZERSMML-UHFFFAOYSA-O 315.400 3.446 5 50 DGBA in-vitro Cc1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1[N+](=O)[O-] 474591 IWFDHOJSOFINRE-UHFFFAOYSA-N 306.347 3.130 5 50 DGBA O=[N+]([O-])c1nn(Cc2cccc(Cl)c2)cc1Br 4837938 MJRBAZQURXMPAA-UHFFFAOYSA-N 316.542 3.256 5 50 DGBA O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)c(Br)c1 169725383 BCNDGYHKMQHAGE-UHFFFAOYSA-N 307.094 3.203 5 50 DGBA O=C(c1ccnc(C2CC2)c1)N1CCCc2c1cccc2[N+](=O)[O-] 253427335 RIVLVIZKTTXANU-UHFFFAOYSA-N 323.352 3.460 5 50 DGBA CC1=CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 280811070 UGOCUOUIZPZYGY-UHFFFAOYSA-N 314.263 3.406 5 50 DGBA CCc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 444226 YSZJLXPXVFGTNK-UHFFFAOYSA-N 318.304 3.314 5 50 DGBA Cc1cnc(C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)s1 282133440 ADMRPIUXYLWZBM-UHFFFAOYSA-N 318.402 3.326 5 50 DGBA O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)cc([N+](=O)[O-])c1 2237751 FDMBKLPQALTRNY-UHFFFAOYSA-N 312.241 3.220 5 50 DGBA Nc1ncnc(Nc2ccc(SC(F)F)cc2)c1[N+](=O)[O-] 4172050 FZLQQYQOWHILQQ-UHFFFAOYSA-N 313.289 3.025 5 50 DGBA CN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 229716601 ARYRLLYWNRONIX-QGZVFWFLSA-N 315.348 3.227 5 50 DGBA Cc1cc([C@H](C)OC(=O)c2cc(F)c([N+](=O)[O-])cc2F)no1 253630139 MAHULLOYSKLHTP-ZETCQYMHSA-N 312.228 3.087 5 50 DGBA CC(=O)Nc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 447353 JNYYSJAYMCWZPR-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA COc1cccc(OCCOc2ccc(C)cc2[N+](=O)[O-])c1 4701782 FRGDJSKEWDFURL-UHFFFAOYSA-N 303.314 3.370 5 50 DGBA CCn1cc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1 5041872 RPIGOGKZMMYQHP-SNVBAGLBSA-N 317.349 3.002 5 50 DGBA CCOc1ccc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 451057 LVGYXXODKTYUIO-LBPRGKRZSA-N 314.341 3.485 5 50 DGBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 5014154 IINROCGNJJWWRV-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 2568265 YATKDADIXNBBCZ-SNVBAGLBSA-N 316.269 3.421 5 50 DGBA CC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 461403 HJYJNADBTYANLR-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA COC(=O)Cn1c2nc3ccccc3nc2c2cccc(C)c21 531204 MSVXEQCCULLUOQ-UHFFFAOYSA-N 305.337 3.219 5 50 DGBA O=[N+]([O-])c1cnc(NCc2ccc(-c3ccncc3)cc2)s1 328588503 RLNJKIHXWQRQLA-UHFFFAOYSA-N 312.354 3.725 5 50 DGBA C[C@@H]1C[C@H](SC2CCC([N+](=O)[O-])CC2)CC[C@H]1[N+](=O)[O-] 257356909 LBGFSCJRIVPHOV-PZVBLHEMSA-N 302.396 3.141 5 50 DGBA Cc1c([C@@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])cnn1C 301900319 UPUISNOQEIIBFB-LBPRGKRZSA-N 321.768 3.027 5 50 DGBA C[C@@H]1CCSCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] 192353051 IOJCSEULWUPYCQ-SECBINFHSA-N 314.794 3.216 5 50 DGBA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1[N+](=O)[O-] 354585 UWGHNEYAYUPSJP-LCYFTJDESA-N 312.256 3.078 5 50 DGBA COc1cccc2c1oc(=O)c1c(N)nc3c(c12)C[C@@H](C)CC3 54530 UIZDRDNLLBBVDN-VIFPVBQESA-N 310.353 3.057 5 50 DGBA biogenic CCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 444685 ONJPIQVIXQLWSO-UHFFFAOYSA-N 313.313 3.196 5 50 DGBA CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc1 1635586 DBRBTLBVIHPZLM-UHFFFAOYSA-N 302.286 3.435 5 50 DGBA O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1sccc1Cl 225793852 HLSYTFUHDYEETF-UHFFFAOYSA-N 321.745 3.068 5 50 DGBA O=[N+]([O-])c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 100012418 BODVHYWDNZZHID-UHFFFAOYSA-N 304.218 3.155 5 50 DGBA O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]3CCCC[C@H]31)OCO2 584904318 KOIFVPRELHHJSH-GXTWGEPZSA-N 318.373 3.478 5 50 DGBA O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@@H]2CCCO2)CC1 275995270 KCGJBFNIAJABAD-ZDUSSCGKSA-N 311.769 3.039 5 50 DGBA O=[N+]([O-])c1ccc(N2CC3(CCOCC3)c3ccccc32)nc1 302699315 HKCVQHWYTCUZSL-UHFFFAOYSA-N 311.341 3.190 5 50 DGBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)cn1 3091356 LEVWSTYOFGTGTN-UHFFFAOYSA-N 310.672 3.426 5 50 DGBA CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5283595 JMGAVNHGBJHONY-UHFFFAOYSA-N 317.257 3.254 5 50 DGBA Cc1cc(C)nc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 5930760 RHGWAXACXTZKEN-UHFFFAOYSA-N 302.359 3.416 5 50 DGBA O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccc(Oc3ccccc3)c2)N1 122528 YXGFMZDPQSGLHY-RDJZCZTQSA-N 312.325 3.075 5 50 DGBA CC(C)(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 3086336 BPNSEQLDWOOJRQ-UHFFFAOYSA-N 305.355 3.304 5 50 DGBA Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C 4844685 WFEYYUXHLFZMHC-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA Cc1cccc(C(=O)NCCc2ccc(F)cc2)c1[N+](=O)[O-] 466672 YRSLMCQUXFBNFN-UHFFFAOYSA-N 302.305 3.015 5 50 DGBA Cc1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1Cl 1063931 IOUSPZNSCYEHQO-UHFFFAOYSA-N 322.752 3.172 5 50 DGBA CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 4695320 IOEYOLQEYJLOIN-UXBLZVDNSA-N 312.734 3.304 5 50 DGBA O=C(NCCc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 4986124 JEVQMZGWORVDKW-UHFFFAOYSA-N 303.293 3.098 5 50 DGBA O=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 5604165 ZDWKHXFZLZSYJB-UHFFFAOYSA-N 312.734 3.049 5 50 DGBA Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 4094418 JOYMQHUGMHBYTM-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA O=[N+]([O-])c1cnc(NCc2ccc3c(c2)COC3)c(Cl)c1 241132977 JNSSLZKRNORODW-UHFFFAOYSA-N 305.721 3.286 5 50 DGBA COc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)=O)c1 265371 KTCOUODRODBJSP-UHFFFAOYSA-N 315.281 3.025 5 50 DGBA C[C@H]1CN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H](C)O1 309444 KETMWERWSYGZQO-QWRGUYRKSA-N 319.386 3.332 5 50 DGBA COc1cc(C[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1OC 1421960 BDSMFEURTWCABV-QMMMGPOBSA-N 306.145 3.348 5 50 DGBA O=[N+]([O-])c1ccccc1Oc1nc2sccn2c1[N+](=O)[O-] 3016256 UTWOHTAGCLDTGL-UHFFFAOYSA-N 306.259 3.005 5 50 DGBA Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 3833336 YYKWIFSXENCINK-UHFFFAOYSA-N 320.370 3.321 5 50 DGBA O=[N+]([O-])c1ccc(CN2CCC(N3CCCCCC3)CC2)cc1 4955949 RHMUINAFPFUUFL-UHFFFAOYSA-N 317.433 3.435 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)n1cnc2ccccc21 193060933 NEAKOZPLNMCTBX-GFCCVEGCSA-N 324.340 3.453 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 4902905 XHUBXRIZJCFAQX-KBPBESRZSA-N 312.325 3.346 5 50 DGBA COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 35761 JJHMHLVFWHXKEK-UHFFFAOYSA-N 301.298 3.303 5 50 DGBA Cc1ccccc1NC(=O)COc1ccc(C)c([N+](=O)[O-])c1 2839044 LDKPNNBSAYMYPT-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA Cc1ccccc1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4832781 BGCASNAAMVKWPL-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(F)cc1 4902473 QLEAEAXXQDHZRD-RUDMXATFSA-N 316.288 3.394 5 50 DGBA O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]3CCCC[C@H]31)OCO2 584904319 KOIFVPRELHHJSH-TZMCWYRMSA-N 318.373 3.478 5 50 DGBA CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] 444618 KYHFYMDOGBXSIY-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccccc2[N+](=O)[O-])C1 4287647 LDTYGQILEXWEFJ-LBPRGKRZSA-N 322.361 3.373 5 50 DGBA CN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 252523258 CEYCKUBSMVORCQ-SJLPKXTDSA-N 311.385 3.130 5 50 DGBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(F)cc2)c(O)c1 5093689 YPUKVBCLZYPGHB-UHFFFAOYSA-N 307.306 3.248 5 50 DGBA Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1C(=O)O 616069 LPRHEIIRBCBAKL-UHFFFAOYSA-N 314.297 3.162 5 50 DGBA Cc1nc([N+](=O)[O-])cn1-c1ncc(C(F)(F)F)cc1Cl 1389472 IQVQVNQMLVJROV-UHFFFAOYSA-N 306.631 3.156 5 50 DGBA O=C(COc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] 4037070 SKAFCUYRCNPDNZ-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1OCc1ccccc1 263618858 VVOBTIGCBHPMFT-UHFFFAOYSA-N 314.341 3.010 5 50 DGBA in-vitro Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 69006 ZEJOACDOSQXHOQ-UHFFFAOYSA-N 304.277 3.060 5 50 DGBA O=[N+]([O-])c1nn(Cc2ccccc2Cl)cc1Br 614329 GNQRKLOAFQKGQB-UHFFFAOYSA-N 316.542 3.256 5 50 DGBA Cc1nc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C)n2)cs1 275065533 XODOCISEDRRMLM-ZDUSSCGKSA-N 304.375 3.405 5 50 DGBA COC(=O)c1sccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 2857807 VRGPZIXENFWGJU-UHFFFAOYSA-N 321.314 3.087 5 50 DGBA O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3151018 HGUHGVKVQRGYEN-UHFFFAOYSA-N 321.676 3.409 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2oc1=O 130290 UQHCNKPVHGPECJ-UHFFFAOYSA-N 324.292 3.262 5 50 DGBA COc1ccccc1Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 2955139 OZLYAIZKCVVAKK-UHFFFAOYSA-N 311.297 3.244 5 50 DGBA O=c1cc(O)c2c(=O)n(C3CCCCC3)c3ccccc3c2o1 13399947 UIHYUKFWBJCQDS-UHFFFAOYSA-N 311.337 3.319 5 50 DGBA CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 146398 BGWRAFUTSSOCHA-LLVKDONJSA-N 312.321 3.277 5 50 DGBA COc1ccc(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 1753363 MRRIRXUBMUVCAP-UHFFFAOYSA-N 306.249 3.353 5 50 DGBA O=c1c2cccc(O)c2c2nccc3c4cc(O)ccc4n1c32 1875338399 WLFMRYVDDAPOBX-UHFFFAOYSA-N 302.289 3.003 5 50 DGBA C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H](C)O1 12418090 YZLWKUAQULHULQ-PHIMTYICSA-N 319.386 3.332 5 50 DGBA CCOc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 103408 CAUWTXRCAUQXHV-UHFFFAOYSA-N 316.313 3.254 5 50 DGBA O=C(c1ccc([N+](=O)[O-])cc1)N(C(F)(F)F)C(F)(F)F 1142610 DMYKGOYAHJKHJG-UHFFFAOYSA-N 302.130 3.077 5 50 DGBA COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)OCC2 1398127 YFIQNPPEJKAASY-QGZVFWFLSA-N 315.325 3.274 5 50 DGBA CCn1c(C)nc2cncc(-c3cc(OC)cc([N+](=O)[O-])c3)c21 2325777960 SKFZSQONJJUQTK-UHFFFAOYSA-N 312.329 3.343 5 50 DGBA COc1ccc(-n2cc(C=O)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 732213 LOXGWKKHAZIINJ-UHFFFAOYSA-N 323.308 3.269 5 50 DGBA COc1cc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] 241815976 SEPGCVNLAMZOMF-SQWLQELKSA-N 320.389 3.123 5 50 DGBA O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1 453149 HLUYZQKTAGKYOY-UHFFFAOYSA-N 304.733 3.107 5 50 DGBA O=[N+]([O-])c1c(NCCc2ccccc2)ccc2nsnc12 3897723 VAUQZUBCUYCHJM-UHFFFAOYSA-N 300.343 3.254 5 50 DGBA C[C@H](CCc1ccccc1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 4811450 OYQXFOCKMWBHCC-KDOFPFPSSA-N 314.385 3.239 5 50 DGBA COc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 119768 IPGIZCZSJOFFQG-LLVKDONJSA-N 316.313 3.009 5 50 DGBA O=C(CSc1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 2577143 VLVJYKFKSAAYMD-UHFFFAOYSA-N 323.761 3.374 5 50 DGBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(C)o1 4652567 GLQVQYOWPMHUIS-SOFGYWHQSA-N 302.286 3.157 5 50 DGBA COc1ccc(OCCOc2ccc(C)cc2[N+](=O)[O-])cc1 4701989 IIKBKMXMPUBLTR-UHFFFAOYSA-N 303.314 3.370 5 50 DGBA CCOC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C 21989279 NYCBXLQKKUBOGV-UHFFFAOYSA-N 310.306 3.119 5 50 DGBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C1CCCCCCC1 67225 BLNLMRJSWVEFMQ-UHFFFAOYSA-N 302.330 3.304 5 50 DGBA Cc1ccccc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 306157 MNPMWWRREXSOCS-UHFFFAOYSA-N 301.298 3.025 5 50 DGBA O=C(O[C@@H]1C=C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 216408305 VYMDTEMQEMYLDP-FXSNYSBCSA-N 309.321 3.294 5 50 DGBA O=[N+]([O-])c1ccc(Br)cc1N1CCC(F)(F)C1 169725422 DRYKNLTZJLKCTI-UHFFFAOYSA-N 307.094 3.203 5 50 DGBA CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3877460 UWAKENCORRGANN-UHFFFAOYSA-N 301.258 3.449 5 50 DGBA Cn1c(=O)c([N+](=O)[O-])c(NCc2ccccc2)c2ccccc21 3958338 NTMHISRCDDPCHX-UHFFFAOYSA-N 309.325 3.059 5 50 DGBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2cn[nH]c2c1 4552263 NVWLSNXSOXCNSE-UHFFFAOYSA-N 315.264 3.254 5 50 DGBA COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 4905304 DMKYSRNUHFEHKW-KBPBESRZSA-N 312.325 3.346 5 50 DGBA CCOC(=O)c1c[nH]c2c(ccc3ccccc32)c1=NCCOC 5958534 HGYFKTBPWGMMES-UHFFFAOYSA-N 324.380 3.045 5 50 DGBA Cc1cc(C(=O)Nc2cccc3nsnc23)ccc1[N+](=O)[O-] 104046 WAKOSDYHONYZTH-UHFFFAOYSA-N 314.326 3.160 5 50 DGBA CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 282213 HVJANKODBPSMRO-KRWDZBQOSA-N 309.325 3.292 5 50 DGBA N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)S1 113837399 KLGNIKJTNSWPEI-KRXBUXKQSA-N 318.141 3.040 5 50 DGBA O=[N+]([O-])c1ccc(CCN[C@@H]2CCO[C@H]2c2ccccc2)cc1 191955069 PWFGQAISFDDHKJ-MSOLQXFVSA-N 312.369 3.257 5 50 DGBA O=C(O[C@@H]1C=C[C@@H]2C=C[C@H]3C=C[C@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 71785730 VYMDTEMQEMYLDP-IXDLUCPKSA-N 309.321 3.294 5 50 DGBA CCc1nccn1[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 122947927 SKEYRWCPEYXVKY-GFCCVEGCSA-N 318.352 3.334 5 50 DGBA C[C@@H](c1cnccn1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 170596963 LQCLKXUTEZZCQU-JTQLQIEISA-N 306.753 3.231 5 50 DGBA O=C(NCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 174899 FWDHGWNGPRPYAI-UHFFFAOYSA-N 309.325 3.049 5 50 DGBA O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCCC1 4998486 FLYWZFNLVGPMEJ-UHFFFAOYSA-N 317.389 3.211 5 50 DGBA COc1cc(F)c([C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1OC 265089210 AUPYTGDRJQWMRM-SECBINFHSA-N 321.308 3.319 5 50 DGBA O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)c1ccccn1 243064 HBFXVZMWBWAHED-UHFFFAOYSA-N 320.308 3.363 5 50 DGBA COc1ccc(NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 4680417 HJYSOPCBZBOJHY-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCN(C3CCCCC3)CC2)c1 178702 WKMDVUJITZXPFH-UHFFFAOYSA-N 303.406 3.045 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCC(N2CCCCC2)CC1 243775 XJAJWTNANPTVSB-UHFFFAOYSA-N 303.406 3.045 5 50 DGBA Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 5542892 HPSZVVAXMJYFSO-UHFFFAOYSA-N 301.258 3.064 5 50 DGBA COC(=O)c1cc(Br)c(C(C)C)cc1[N+](=O)[O-] 87489367 CJVOZHRQXALCMW-UHFFFAOYSA-N 302.124 3.267 5 50 DGBA in-vitro Fc1ccccc1-c1nc2nonc2c2nc3ccccc3n12 4629486 BXOMYXRYFRNZCB-UHFFFAOYSA-N 305.272 3.225 5 50 DGBA Cc1sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C 132392 PYCXQVUKYOLASB-UHFFFAOYSA-N 315.354 3.031 5 50 DGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1 372637 ICMLDGJMGPWOEB-GFCCVEGCSA-N 300.314 3.309 5 50 DGBA Cc1ccc(C(=O)O)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 2876115 IDARCIVKJLXMLK-UHFFFAOYSA-N 314.297 3.162 5 50 DGBA O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)cc1 55543911 GVGZASPSSQYCBT-UHFFFAOYSA-N 315.348 3.056 5 50 DGBA CCc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)OC 3027700 NFEJUKWSUBMAPP-UHFFFAOYSA-N 317.728 3.344 5 50 DGBA CCCn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 98519 LXQQBZVLEAWDTH-UHFFFAOYSA-N 315.354 3.443 5 50 DGBA Cc1cc(N[C@@H]2CC[C@H](CO)C2)c2cccc([N+](=O)[O-])c2n1 1875275952 USWNDZPMEFXKJW-NWDGAFQWSA-N 301.346 3.024 5 50 DGBA CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 464237 GEWRFYOGSMEPHG-UHFFFAOYSA-N 313.313 3.114 5 50 DGBA COc1cc(CO)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 473574 CJSWGLRVPPHRDV-UHFFFAOYSA-N 323.732 3.328 5 50 DGBA O=C(COc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 3958813 QPRWLYADLKRXQN-UHFFFAOYSA-N 306.705 3.266 5 50 DGBA Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4038179 HXCLSVPJPDTDIR-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA Nc1nc(N[C@@H](c2ccc(F)cc2)C2CCC2)ncc1[N+](=O)[O-] 301172742 FKHGOSSXKXRGIM-CYBMUJFWSA-N 317.324 3.059 5 50 DGBA COC(=O)c1cccc(C)c1OCc1ccc([N+](=O)[O-])cc1 124774 SXLNYSWPRYTHKB-UHFFFAOYSA-N 301.298 3.269 5 50 DGBA O=C(O)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 460220 KGMUWYYQNULYQO-UHFFFAOYSA-N 309.281 3.146 5 50 DGBA C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C)O1 268769 YZLWKUAQULHULQ-QWRGUYRKSA-N 319.386 3.332 5 50 DGBA CCc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 284761 RJIDPXCYCCXMSD-UHFFFAOYSA-N 300.314 3.418 5 50 DGBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 3123744 ZPIXXIHREKRTLQ-UHFFFAOYSA-N 313.718 3.016 5 50 DGBA O=C(Nc1nc2ccc(F)cc2s1)c1ccc([N+](=O)[O-])o1 4486911 KNNHKMUNFQGQMK-UHFFFAOYSA-N 307.262 3.189 5 50 DGBA O=C(Nc1ccc2oc(=O)c3ccccc3c2c1)C(F)(F)F 1694578 XUKKGDUMWVJYEZ-UHFFFAOYSA-N 307.227 3.447 5 50 DGBA biogenic,in-vitro O=[N+]([O-])c1nn(CC23CCC(CC2)C3)cc1Br 408458751 UYYBVGDXKQGGPK-UHFFFAOYSA-N 300.156 3.134 5 50 DGBA CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 103227 GFIJIYJLXHWXCK-UHFFFAOYSA-N 314.297 3.024 5 50 DGBA C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 310555 GJHSQUFCZAEEOC-TZIYXEQSSA-N 310.353 3.355 5 50 DGBA C[C@H](C(=O)NCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 2839353 VOCBOMZSHCFTTR-AWEZNQCLSA-N 312.369 3.447 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)cc1 466450 NZMKLQXYBHLWQM-UHFFFAOYSA-N 300.314 3.093 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1cccnc1)C1CC1 194790793 JHBVXZUYCJXCID-UHFFFAOYSA-N 311.341 3.103 5 50 DGBA O=[N+]([O-])c1cncc(Cl)c1OCc1nc2cccnc2s1 349922162 VUXWVPNATUVSPJ-UHFFFAOYSA-N 322.733 3.227 5 50 DGBA COc1ccccc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 471627 XUTZHTXPNSSXGY-LBPRGKRZSA-N 314.341 3.023 5 50 DGBA O=[N+]([O-])c1cccc(CN2CCC(N3CCCCCC3)CC2)c1 4703437 MLSZMPZIQOYRLC-UHFFFAOYSA-N 317.433 3.435 5 50 DGBA COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1O 4832786 JXXZQUYANLNSFL-UHFFFAOYSA-N 322.704 3.215 5 50 DGBA COc1ccc(CNC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 5670536 HNESHVFJVMGMDY-UHFFFAOYSA-N 316.313 3.030 5 50 DGBA O=[N+]([O-])c1cccc2c1CCN(c1nc3cc(F)ccc3o1)C2 161733059 QDXJRWQNIRVSFG-UHFFFAOYSA-N 313.288 3.438 5 50 DGBA COc1cc(CNc2cccc(F)c2)c([N+](=O)[O-])cc1OC 280421 IQTRBSIZPGAZAE-UHFFFAOYSA-N 306.293 3.363 5 50 DGBA COc1cccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 174953017 NIAUYHCFWHSRFJ-UHFFFAOYSA-N 320.732 3.187 5 50 DGBA Cc1cc(C(F)(F)F)nc(Sc2ccc([N+](=O)[O-])cn2)n1 1079454 XWQSWKNZXXAFKR-UHFFFAOYSA-N 316.264 3.258 5 50 DGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(F)c2)c([N+](=O)[O-])c1 104230428 BMHGDEJBVWLUNH-UHFFFAOYSA-N 322.208 3.294 5 50 DGBA NC(=O)c1cc(Sc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 1472641364 IEVRNLFIUGZRCM-UHFFFAOYSA-N 308.746 3.498 5 50 DGBA Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)o1 375979 QICBYTQIMRQJEF-UHFFFAOYSA-N 303.299 3.358 5 50 DGBA O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1[N+](=O)[O-] 442660 XRORUTKNAXYHDP-UHFFFAOYSA-N 320.688 3.229 5 50 DGBA COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cl 453140 KZFWKEYTYZDNTQ-UHFFFAOYSA-N 320.732 3.438 5 50 DGBA O=[N+]([O-])c1ccccc1CN1CCN(C2CCCCC2)CC1 4170514 BLPIRIRAGNRVCV-UHFFFAOYSA-N 303.406 3.045 5 50 DGBA CC1(C)CC[C@@H](COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 190648235 OIUOXHHQXAXREB-JTQLQIEISA-N 313.737 3.363 5 50 DGBA Cc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 4611445 PTFKVTRZTXIOHQ-GDNBJRDFSA-N 308.293 3.248 5 50 DGBA O=[N+]([O-])c1c(F)c(Br)cc(Br)c1F 263623776 KPWYRXMTHHIOQO-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 269205500 UDUYWICWCBILKN-JRPNMDOOSA-N 304.346 3.094 5 50 DGBA CN(C)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 621254 QDGJIVPMCVFBGN-UHFFFAOYSA-N 316.386 3.470 5 50 DGBA O=C(NCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 1753504 ILBBQXWMUXHBCP-UHFFFAOYSA-N 303.293 3.098 5 50 DGBA CC1(C)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCS1 279368780 SJKBQOOEZARRQP-UHFFFAOYSA-N 312.366 3.092 5 50 DGBA Cc1ccccc1CS(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] 134204646 LZFBKHPQMVGGGC-UHFFFAOYSA-N 321.354 3.120 5 50 DGBA Cn1ccnc1Sc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4846013 UDAHVZAILPVZBW-UHFFFAOYSA-N 304.375 3.080 5 50 DGBA CC[N+](C)(CC)CC[C@H](C)OC(=O)[C@@H]1OCCc2ccccc21 823478845 OBFOTZFVHPWCDH-MAUKXSAKSA-N 320.453 3.109 5 50 DGBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC1CCCCC1 3252315 CUOMPHAFUJTOHU-UHFFFAOYSA-N 309.391 3.223 5 50 DGBA COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@@H]3C[N@@+]1(C)CC2 247536870 ACFBTUAMHMCOQE-XWYPRVOQSA-N 300.422 3.344 5 50 DGBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C1CCCCC1 9635474 QIOZATAPFJRWBC-UHFFFAOYSA-N 321.402 3.297 5 50 DGBA Cc1cc(C)cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 316524 ZPGXCKDFBXJOFS-UHFFFAOYSA-N 300.314 3.229 5 50 DGBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1noc2c1CCCC2 2808520 OZRYZBQOZZEDQW-UHFFFAOYSA-N 321.720 3.367 5 50 DGBA COc1cc(CN[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC 4685509 NCSJCDQLPKXYEU-AAEUAGOBSA-N 308.378 3.280 5 50 DGBA CCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CC1 4987557 BJNIUGUNIMWEMW-UHFFFAOYSA-N 308.378 3.234 5 50 DGBA O=[N+]([O-])c1cc(Cl)cc(/C=C2\SC(=S)N=C2O)c1O 22782314 ARPSXTYRZVEFHB-UQCOIBPSSA-N 316.747 3.283 5 50 DGBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(Cl)c1 41111 NRJSUQPBBYKZRL-UHFFFAOYSA-N 302.673 3.049 5 50 DGBA CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 146400 BGWRAFUTSSOCHA-NSHDSACASA-N 312.321 3.277 5 50 DGBA COc1cc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] 241815974 SEPGCVNLAMZOMF-FMKPAKJESA-N 320.389 3.123 5 50 DGBA CSC[C@@H](CCO)Nc1ccnc2c1ccc1cccnc12 1875295117 RGKATIOIXAXYDN-CYBMUJFWSA-N 313.426 3.309 5 50 DGBA Cc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 206960 KOGDWDGNYHBIMW-UHFFFAOYSA-N 314.297 3.162 5 50 DGBA CCCC[C@H](CC)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1750492 PABDTGWENZPKAZ-NSHDSACASA-N 323.349 3.449 5 50 DGBA O=[N+]([O-])c1ccccc1CNC1(c2ccc3c(c2)OCO3)CC1 253418236 XLQOFFXQDYJYNI-UHFFFAOYSA-N 312.325 3.102 5 50 DGBA O=[N+]([O-])c1c(Br)cc(F)c(F)c1Br 263623818 KZBKQLHBFMVLHC-UHFFFAOYSA-N 316.883 3.398 5 50 DGBA CC[C@@H](C)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F 277507350 FICAXYMAMXVBOU-RDDDGLTNSA-N 322.258 3.441 5 50 DGBA C[C@H]1[C@@H](C)SCCN1c1ccc([N+](=O)[O-])c2cnccc12 253394271 AXZARIMRLKMQCH-WDEREUQCSA-N 303.387 3.473 5 50 DGBA