smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(O)c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc2c1Cl 28818430 FKTYKLDGOJKBQL-UHFFFAOYSA-N 322.670 3.976 5 1 DHBF CC1(C)C=Cc2c(c(O)cc3oc4cc(O)ccc4c(=O)c23)O1 14514242 GQAYMLKLFVVQQH-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic CC(C)=CCOc1cc(O)c2c(=O)c3ccccc3n(C)c2c1 13481035 DYEONBUUHMKTBT-UHFFFAOYSA-N 309.365 3.742 5 1 DHBF biogenic CC[C@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n1 587081042 ZRTCRBGKKPOYOD-QMMMGPOBSA-N 319.752 3.959 5 1 DHBF COc1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139907 SGRNCQXHIWYYOI-UHFFFAOYSA-N 321.695 3.939 5 1 DHBF Cc1ccccc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587646737 JFDWHMSXOBRGNH-UHFFFAOYSA-N 309.325 3.945 5 1 DHBF CCCN=c1nc(O)c2c(ccc3c4ccccc4sc32)[nH]1 1857589661 YKAYQAVRXAKFCX-UHFFFAOYSA-N 309.394 3.947 5 1 DHBF Cc1ccc(C2=NC(C)(C)[N@]3[C@H]2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 1857623358 YATCIHIUWARHCF-OPYAIIAOSA-N 321.380 3.868 5 1 DHBF COc1ccc2c(c1[N+](=O)[O-])-c1nc3cccc4c3c(c1C2)CC4 587210727 FLIDNEFKQFXQRS-UHFFFAOYSA-N 318.332 3.821 5 1 DHBF O=C(Cc1ccccc1)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 299827426 JDULBRWRQIRSJU-HNNXBMFYSA-N 303.745 3.512 5 1 DHBF O=[N+]([O-])c1cccc(COc2cccc(CN3CCCC3)c2)c1 61936354 YATSPJOTASLNGK-UHFFFAOYSA-N 312.369 3.770 5 3 DHBF CC[N+]1(C)CC[C@H](OC(=O)[C@@H](c2ccccc2)C2CCCC2)C1 5688403 ALFZXSYVXNSOBR-CHEUHSMRSA-N 316.465 3.742 5 1 DHBF in-man O=C1Nc2ccc(-c3ccc([N+](=O)[O-])[nH]3)cc2C12CCCCC2 26398 OMOOEAGSSPUSMM-UHFFFAOYSA-N 311.341 3.744 5 1 DHBF CN(C)CCn1nc2c3ccccc3sc3c(N)ccc1c32 29322582 YGXUCNCZEPYMOU-UHFFFAOYSA-N 310.426 3.548 5 1 DHBF Cc1oc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268794 KLQPDTRZVVQUHA-UHFFFAOYSA-N 313.100 3.741 5 1 DHBF O=[N+]([O-])c1ccc(-c2nc3cc(O)ccc3n3cccc23)cc1 653905790 ZTFWMUHYFASVIP-UHFFFAOYSA-N 305.293 3.768 5 1 DHBF CCOC(=O)c1cc2ccc3c4cc(OC)ccc4[nH]c3c2[nH]1 29136207 XFYZEKGELZNIRS-UHFFFAOYSA-N 308.337 3.988 5 1 DHBF Cn1c2ccccc2c2c(NCCCN)nc3ccc(F)cc3c21 169309494 BHASGBYJTKPNAL-UHFFFAOYSA-N 322.387 3.780 5 1 DHBF CN1CCC[C@H]1CCNc1ccc2oc3ccccc3c(=O)c2c1 15935764 HWMYZAFWKLKYER-HNNXBMFYSA-N 322.408 3.842 5 3 DHBF Cc1c2c3c(cc4c(c3c3ccc(O)cc13)OCO4)CCN2C 6069229 UZPCLKSZNZUVQA-UHFFFAOYSA-N 307.349 3.728 5 1 DHBF biogenic O=[N+]([O-])c1ccc(Nc2nccc(-c3ccc(F)cc3)n2)cc1 103300951 HHEABFUWPAVULN-UHFFFAOYSA-N 310.288 3.935 5 1 DHBF O=c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c2c1ccc1[nH]ccc12 28476456 HTPKRDCLOXYULH-UHFFFAOYSA-N 305.293 3.585 5 1 DHBF O=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc3ncccc3[nH]2)c1 72177222 IHTRBZDMSJHIJR-ZZXKWVIFSA-N 300.705 3.690 5 1 DHBF CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)CCO2 1772573929 RXGCSDNFUVBKMU-NSCUHMNNSA-N 324.380 3.675 5 1 DHBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587152180 XFLFIOYWZSPQRH-QMMMGPOBSA-N 319.267 3.889 5 1 DHBF O=NCc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587190732 PXQSMDVOQQOIEI-UHFFFAOYSA-N 300.249 3.544 5 1 DHBF CC(C)(C)[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587259573 VZVFVOWYQALYRN-MRXNPFEDSA-N 305.385 3.705 5 1 DHBF C[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275316 BVECHUAFBNELLX-SNVBAGLBSA-N 313.361 3.574 5 1 DHBF COCc1c(Cc2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646017 QIMWINJMJICTQR-UHFFFAOYSA-N 314.316 3.952 5 1 DHBF O=C1O[C@H](O)c2cc(O)c3oc4ccccc4c4ccc1c2c34 13481659 YKOZPDXFYYNZLM-SFHVURJKSA-N 306.273 3.606 5 1 DHBF biogenic O=C(O)/C=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 84632893 IVYNYFBCQSRZFK-JXMROGBWSA-N 322.320 3.696 5 1 DHBF COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 314786477 DBJXFLABMSWQKA-UHFFFAOYSA-N 303.705 3.800 5 1 DHBF Cc1ccnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048668 YBQMRRGSUZTPRP-HYXAFXHYSA-N 314.732 3.998 5 1 DHBF Cc1cc2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2cc1[N+](=O)[O-] 587195351 HXZRPOVRQPFGKK-GFCCVEGCSA-N 324.384 3.997 5 1 DHBF Cc1c(-c2nc3cnc4ccccc4c3[nH]2)cccc1[N+](=O)[O-] 587261192 XZEGQUGAIAGJIM-UHFFFAOYSA-N 304.309 3.995 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1Cc2ccccc2C1=O 587649045 OLFRLDNDVKRHJN-UHFFFAOYSA-N 307.309 3.545 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081403 UTBGWXBFNHCLBH-CQSZACIVSA-N 315.716 3.801 5 1 DHBF O=C(c1cc(F)c(F)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280255 PVFHEXXCNGNBQK-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF O=[N+]([O-])c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1F 587061358 FDEDRTZZSQJRSP-UHFFFAOYSA-N 320.711 3.876 5 1 DHBF O=C1C[C@@H](c2ccc([N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587512826 OTUYJYADMCEYGP-HNNXBMFYSA-N 313.309 3.773 5 1 DHBF Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1C 45351998 UYYZHNSJWIHZIX-UHFFFAOYSA-N 301.302 3.561 5 1 DHBF C[C@@H](Oc1ccccc1)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278873 AJAKZSAVVWRUME-LLVKDONJSA-N 311.293 3.991 5 1 DHBF Cc1ccc2c3c1sc1ccncc1c3nn2CCN(C)C 8627 MLBBXFUHKGCINU-UHFFFAOYSA-N 310.426 3.669 5 1 DHBF O=C1O/C(=C\c2cccc([N+](=O)[O-])c2)C=C1Cc1ccccc1 103210812 VJHSJFXKLRSGMG-BOPFTXTBSA-N 307.305 3.662 5 1 DHBF Cn1c2nc3ccccc3c-2c(NCCCO)c2ccccc21 102995234 LEMIPBXHEKWNQW-UHFFFAOYSA-N 305.381 3.626 5 1 DHBF C[C@H](Cc1ccccc1)OC(=S)Nc1ccc([N+](=O)[O-])cc1 45496947 IJUOCKUFSXVMCN-GFCCVEGCSA-N 316.382 3.939 5 1 DHBF CCc1ccc(C(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587957352 YEPNNSHPIHKBLO-UHFFFAOYSA-N 323.352 3.849 5 1 DHBF COc1cccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587931974 QBQAUENONPUDED-UHFFFAOYSA-N 317.732 3.724 5 1 DHBF CC(C)[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C 587198911 QFHDPEZGEKCFLU-SFHVURJKSA-N 319.412 3.918 5 1 DHBF Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)nn1C(C)C 587280227 OVBSTTIKGXEWMZ-UHFFFAOYSA-N 313.313 3.658 5 1 DHBF CN(C)c1c2c(c3nc4ccccc4c4c3c1N=C4)NCCC2=O 14659433 IBUTUOVTDKWFQG-UHFFFAOYSA-N 316.364 3.516 5 1 DHBF biogenic Cc1ccc(C)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12 587159496 PJFTUHOCUZDPNT-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF CC(C)OC(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644784 CAQZFULGLMFSMI-UHFFFAOYSA-N 316.235 3.660 5 1 DHBF COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 26577019 UDXWNMYENXAKPA-PLNGDYQASA-N 315.325 3.791 5 1 DHBF COc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F 587135323 ZBIGZSJUJQAHPC-UHFFFAOYSA-N 323.230 3.564 5 1 DHBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587152179 XFLFIOYWZSPQRH-MRVPVSSYSA-N 319.267 3.889 5 1 DHBF CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587156766 YQHXNXYWLGOPAD-LBPRGKRZSA-N 316.292 3.535 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1[N+](=O)[O-])O2 587388471 CNWKJMFYPMFOAT-INIZCTEOSA-N 312.325 3.500 5 1 DHBF Cc1cc2[nH]c(C3(c4ccc(O)cc4)CC3)nc2cc1[N+](=O)[O-] 586898977 PJJADMSRLIPWCW-UHFFFAOYSA-N 309.325 3.565 5 1 DHBF C[C@@]12C[C@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H](O1)c1ccccc1N2 16921563 YIKIVCPEROTXPQ-BGTYHANMSA-N 310.353 3.719 5 1 DHBF biogenic O=[N+]([O-])c1ccc2sc([C@@H]3CN4C=CSC4=N3)cc2c1 103252231 ISZRFHIGXUJXCL-JTQLQIEISA-N 303.368 3.740 5 1 DHBF Cc1nccc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048452 VXQJWOVYKVGRKU-HYXAFXHYSA-N 314.732 3.998 5 1 DHBF O=[N+]([O-])c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587139103 WFBKGOZQTWNEHV-UHFFFAOYSA-N 321.258 3.674 5 1 DHBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cn2)Oc2c1ccc1c2CCCC1 587511861 JXWPRCBJDXVNJB-KRWDZBQOSA-N 324.336 3.575 5 1 DHBF O=C(O)c1ccc2c(c1)nc(-c1ccncc1)c1ccncc12 73219936 LEWGTGPZJKZDGR-UHFFFAOYSA-N 301.305 3.543 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccc(F)c1 587646051 RRMYKEJMJWFDCK-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF O=[N+]([O-])c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1F 587090578 RVFMSJCYQRQMNL-MRVPVSSYSA-N 315.585 3.534 5 1 DHBF O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2cc(O)ccc2c1 299866365 OSABSGRZPDASRF-UHFFFAOYSA-N 308.293 3.706 5 1 DHBF c1ccc2c(c1)c1ccccc1c1[nH]c(CC3OCCO3)nc21 586909394 XVCBDRSJLKDCBP-UHFFFAOYSA-N 304.349 3.785 5 1 DHBF CC[N+](CC)=c1ccc2nc3c(ccc4ccccc43)oc-2c1 5955180 IXYMKBMHKIJBCD-UHFFFAOYSA-N 303.385 3.898 5 1 DHBF Cc1oc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1[N+](=O)[O-] 587268690 JFSYRNSEMSXHJZ-UHFFFAOYSA-N 301.302 3.827 5 1 DHBF O=C1C[C@H](c2ccc([N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587512827 OTUYJYADMCEYGP-OAHLLOKOSA-N 313.309 3.773 5 1 DHBF CCOC(=O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587777368 JFTNBADKPOVMNH-UHFFFAOYSA-N 304.349 3.975 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080274 LQGIIXXPAXDKIT-ZDUSSCGKSA-N 315.716 3.801 5 1 DHBF Cc1cc([C@@H]2C[C@H](C)C(=O)O2)c2c(=O)c3c(O)cccc3oc2c1 2356326213 VXROYXNAGKBDKJ-HZMBPMFUSA-N 324.332 3.584 5 1 DHBF O=[N+]([O-])c1cccc(Nc2nnc(-c3c[nH]c4ccccc34)o2)c1 1772626950 VKHRIQQQLSKZKP-UHFFFAOYSA-N 321.296 3.870 5 1 DHBF Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)c1 45350310 WTVJFOOTZSKZII-UHFFFAOYSA-N 301.302 3.561 5 1 DHBF CC(C)[C@@]1(C)CCCc2c1cc([N+](=O)[O-])c(N(C)C)c2[N+](=O)[O-] 38927848 SAMZASMCXUGDBY-MRXNPFEDSA-N 321.377 3.819 5 1 DHBF O=[N+]([O-])c1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1F 587056048 YMEKUBCGGAIDAK-UHFFFAOYSA-N 307.668 3.636 5 1 DHBF CC(C)[C@H](NCc1c2ccccc2nc2ccccc12)C(=O)O 5498932 AZNTXKHUUUAGRH-SFHVURJKSA-N 308.381 3.587 5 1 DHBF O=C1CCc2c3c4c(cc(O)cc4c4ccc(O)c1c24)[C@@H](O)CC3 2356359679 QGJYUNNYYGGAKL-HNNXBMFYSA-N 320.344 3.513 5 1 DHBF CCc1cc2c3[nH]c4cc(OC)ccc4c3cc[n+]2nc1CC 26577259 DKBUXAKAQLFHAF-UHFFFAOYSA-O 306.389 3.588 5 1 DHBF O=[N+]([O-])c1ccc(/C=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 53296875 SNLKNNKBHAUTCL-OWOJBTEDSA-N 315.241 3.582 5 1 DHBF Cc1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1[N+](=O)[O-] 587089706 GRIWCELERDOHNN-VIFPVBQESA-N 311.622 3.703 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3cc(F)cc(F)c3[nH]2)c1 587269850 HUNKNQDUXQGGCZ-UHFFFAOYSA-N 303.268 3.535 5 1 DHBF CCc1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)OC(C)(C)C 587647299 VANQTWNUISOBMD-UHFFFAOYSA-N 305.334 3.986 5 1 DHBF COc1ccc2nc(NCCCN)c3c4ccccc4[nH]c3c2c1 169309462 VXMDSWYXRLZMRX-UHFFFAOYSA-N 320.396 3.639 5 1 DHBF CNc1cc(Cl)ccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587066243 LFJVVZMBOJUWIG-UHFFFAOYSA-N 302.721 3.833 5 1 DHBF O=[N+]([O-])c1cccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587114947 AIGVZFGJMSBTLW-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF CN1CCC[C@@H]1CCNc1ccc2oc3ccccc3c(=O)c2c1 15935763 HWMYZAFWKLKYER-OAHLLOKOSA-N 322.408 3.842 5 3 DHBF Cc1cc2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587115017 CZWAQZVHBSSPOS-UHFFFAOYSA-N 324.262 3.804 5 1 DHBF Cc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cccc1[N+](=O)[O-] 587261030 QANYCQFLJAJZIP-UHFFFAOYSA-N 322.246 3.860 5 1 DHBF C/C=C1/C[N+]2(C)[C@H]3C[C@H]1[C@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 238760613 PRGKEDSKPDIDRJ-VYKILLRASA-N 323.460 3.823 5 1 DHBF CC(C)=CCc1c(O)cc2oc3cc(O)ccc3c(=O)c2c1O 14819746 BUVGSDAKOBKGFK-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic O=[N+]([O-])c1ccccc1O[C@@H](Cn1ccnc1)c1ccccc1 49808648 FSZJKMKVJYFMFD-KRWDZBQOSA-N 309.325 3.612 5 1 DHBF O=C(O)c1[nH]c2c([N+](=O)[O-])cccc2c1-c1cccc(F)c1 103244210 PQWGELSPIPTFHQ-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF C[C@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586962638 TZADRJROCSABNO-JTQLQIEISA-N 314.370 3.861 5 1 DHBF COc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279394 IRFZDBHWKZPXQU-UHFFFAOYSA-N 311.293 3.775 5 1 DHBF Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C(F)(F)F)c1 587095556 KMKMKOJYDJLIOY-UHFFFAOYSA-N 322.246 3.739 5 1 DHBF Cc1cc([C@@H]2C[C@@H](C)C(=O)O2)c2c(=O)c3c(O)cccc3oc2c1 2356326221 VXROYXNAGKBDKJ-YGRLFVJLSA-N 324.332 3.584 5 1 DHBF O=[N+]([O-])c1cc2nc(/C=C/c3ccsc3)[nH]c2cc1[N+](=O)[O-] 587025113 HAJPDUBOMXHVIP-OWOJBTEDSA-N 316.298 3.611 5 1 DHBF O=C1C[C@H](c2ccncc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587514302 WLCJLBGLPBJGGN-QGZVFWFLSA-N 324.336 3.575 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CN(C)C(=O)OC(C)(C)C 587647478 ZBBNKRQTJHRELZ-UHFFFAOYSA-N 319.361 3.751 5 1 DHBF CN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1 13742134 AXXBKGLWQLKREC-UHFFFAOYSA-N 317.392 3.886 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)cc1[N+](=O)[O-])O2 587390882 SGVHGMMLHQWTRP-MRXNPFEDSA-N 312.325 3.500 5 1 DHBF CCCCc1nc(Cl)c(C=O)n1Cc1ccc([N+](=O)[O-])cc1 103291657 MXOCRZVWJNLURA-UHFFFAOYSA-N 321.764 3.648 5 1 DHBF CC[C@@]12CCC[N+]3([O-])CC=C(c4ccccc4NC(=O)CC1)[C@@H]23 196005285 LYHAEQZONMBWFL-KTVLMBSMSA-N 312.413 3.689 5 1 DHBF COc1cc(C2(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)ccc1C 587925713 CPRCPICZKHSYCF-UHFFFAOYSA-N 323.352 3.868 5 1 DHBF COc1cc(C)cc2c(=O)oc3c4cccc(O)c4c(O)cc3c12 12457 IVJWPFVEZVJZGV-UHFFFAOYSA-N 322.316 3.828 5 1 DHBF biogenic Nc1ncc(Cc2ccc3c(ccc4ccccc43)c2)c(N)n1 45186754 LMWAXGHBDKSTMR-UHFFFAOYSA-N 300.365 3.538 5 1 DHBF Cc1ccc(C2=NC(C)(C)[N@]3[C@H]2[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 1857623359 YATCIHIUWARHCF-UEXGIBASSA-N 321.380 3.868 5 1 DHBF CC(C)C(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644783 BWEYGZVMIKQASF-UHFFFAOYSA-N 300.236 3.934 5 1 DHBF O=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 72116164 YSUOYKSUUZASPN-UHFFFAOYSA-N 317.345 3.884 5 1 DHBF O=C(c1ccco1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645624 ZZNJHCNZGHCNJH-UHFFFAOYSA-N 324.214 3.919 5 1 DHBF Cc1ccc2c(=O)c3c(O)c4c(cc3n(C)c2c1)OC(C)(C)C=C4 5553667 QRAZNGDWFTZHAL-UHFFFAOYSA-N 321.376 3.890 5 1 DHBF COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1CC=C(C)C 15114965 JYQNZCUKMVYLTA-UHFFFAOYSA-N 323.392 3.915 5 1 DHBF biogenic O=C(O)CC12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100483547 PPQDRUFGIBEALX-LGBHXNNWSA-N 315.369 3.908 5 1 DHBF CC(C)=CCc1c(O)cc2c(=O)c3ccc(O)cc3oc2c1O 12726438 CAIXCMVHTLUODR-UHFFFAOYSA-N 312.321 3.572 5 3 DHBF biogenic O=[N+]([O-])c1cncc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587087079 HJUFTQFJIYNQNN-UHFFFAOYSA-N 313.704 3.668 5 1 DHBF Cc1cc(Cl)cc([N+](=O)[O-])c1Oc1ccccc1CC(=O)O 26402639 GTZOXXMVZYWSCM-UHFFFAOYSA-N 321.716 3.976 5 1 DHBF O=C(c1ccc([N+](=O)[O-])cc1)c1nccc2c1[nH]c1ccccc12 66073795 VIXNVNZRJAOHIJ-UHFFFAOYSA-N 317.304 3.855 5 1 DHBF O=[N+]([O-])c1cccc(Nc2cncc(-c3ccc(CO)cc3)c2)c1 35875831 HBSNOTNVSBINHU-UHFFFAOYSA-N 321.336 3.893 5 1 DHBF CC(C)=CCc1c(O)cc(O)c2oc3cccc(O)c3c(=O)c12 14819783 DLDSNYULQYVJNR-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic CN1CCC[C@H]1COc1cc(-c2ccccc2)cc([N+](=O)[O-])c1 1772618858 HPYRFABEGFYNNH-INIZCTEOSA-N 312.369 3.735 5 1 DHBF CCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 100711269 KJCGWSLHXGVVSO-UHFFFAOYSA-N 310.353 3.778 5 3 DHBF O=C(O)c1[nH]c2cc(F)ccc2c1-c1ccccc1[N+](=O)[O-] 587635828 NUQKGBDFWPZYPG-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C#N)c21 217045376 WAJNOEPHTZIWTO-UHFFFAOYSA-N 303.321 3.758 5 1 DHBF Cn1c(COc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 103187978 SHDNGAICMRSUHI-UHFFFAOYSA-N 317.732 3.714 5 1 DHBF Cc1cncc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047781 NATKBRQXUNOPLF-HYXAFXHYSA-N 314.732 3.998 5 1 DHBF Fc1cncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587176861 HDTLFFPQMILGIW-UHFFFAOYSA-N 315.311 3.860 5 1 DHBF CC(C)[N+](C)(C)C[C@@H](O)COc1ccccc1C1CCCCC1 38192514 JCSHTRLNTUPPOJ-GOSISDBHSA-N 320.497 3.959 5 1 DHBF O=[N+]([O-])c1cncc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587965885 DLWBREUUYBBMAO-UHFFFAOYSA-N 310.357 3.706 5 1 DHBF CCO[P@@](=O)(NCC(C)C)Oc1cc(C)ccc1[N+](=O)[O-] 102056172 CBXFYWHXFBFECS-NRFANRHFSA-N 316.294 3.672 5 1 DHBF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587951995 LDDUIPWFANLRJE-SUNKGSAMSA-N 318.377 3.913 5 1 DHBF C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(-c3ccccc3)cc2)O1 1911571536 IYQVRLQCLKBAJS-UXHICEINSA-N 312.433 3.516 5 1 DHBF C[N+](C)(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 1857647593 XSNCGGUSKZWUFC-UHFFFAOYSA-N 309.433 3.866 5 1 DHBF Cn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21 653752994 AWAKVPKQMFDFHV-UHFFFAOYSA-N 321.767 3.802 5 1 DHBF CC(C)C[C@H](O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586902096 XVWKPINKBQMHNJ-KRWDZBQOSA-N 306.369 3.739 5 1 DHBF CC(C)[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C 587198560 KETMIJMBUZSXAH-SFHVURJKSA-N 319.412 3.918 5 1 DHBF O=C(c1c(F)cccc1F)c1coc2cc([N+](=O)[O-])ccc12 587279854 DSVMFPIMOBQPLV-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF CN(c1cc(F)cc(Cl)c1)c1ccc2nonc2c1[N+](=O)[O-] 95598355 DZQSZSGKUSKFRB-UHFFFAOYSA-N 322.683 3.691 5 1 DHBF Cc1cc2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2cc1[N+](=O)[O-] 586880186 OQCZNAOJLHEUIY-SREVYHEPSA-N 323.308 3.544 5 1 DHBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc([N+](=O)[O-])ccc12 587647817 QMHNTTVRHZONEM-UHFFFAOYSA-N 313.269 3.660 5 1 DHBF O=[N+]([O-])c1cc2nc(C3(F)CCCCC3)[nH]c2cc1[N+](=O)[O-] 587132490 RBVPOEOMTARWAB-UHFFFAOYSA-N 308.269 3.508 5 1 DHBF O=[N+]([O-])c1cnc2c(c1)Sc1cccc(Br)c1N2 1857745329 MNLHPSOSXBVVOB-UHFFFAOYSA-N 324.159 3.961 5 1 DHBF COc1ccc2oc3nc4ccccc4c-3c(NCCCN)c2c1 95573589 YHMDQBOVVJFYHM-UHFFFAOYSA-N 321.380 3.855 5 1 DHBF C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 141656167 UFSZYKLBZJNXLV-VQTJNVASSA-N 318.481 3.584 5 1 DHBF CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1 17163125 OELZFJUWWFRWLC-UHFFFAOYSA-N 324.448 3.591 5 1 DHBF COc1cc2c(cc1C)c(OC)cc1cc(C)c(=O)cc(OC)c12 49018965 DRHLTPUTOAKXAP-UHFFFAOYSA-N 324.376 3.996 5 1 DHBF CC(=O)Nc1ccc(Cl)cc1Sc1ncccc1[N+](=O)[O-] 98082030 RYHXWGNHKDQIHJ-UHFFFAOYSA-N 323.761 3.753 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037124 SESGWWFXJIGERX-ZDUSSCGKSA-N 317.395 3.911 5 1 DHBF COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Cl)c1O 587046180 MFXUKZNNCDKERW-UHFFFAOYSA-N 319.704 3.506 5 1 DHBF Cc1cc2c(cc1F)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)NCC2 962095094 UZPKWPYAUQNTTD-MRXNPFEDSA-N 320.751 3.931 5 1 DHBF COc1c(C/C=C(\C)CCC(=O)O)cc([N+](=O)[O-])c(C)c1C 13759755 AJLBGEPKYNHFTO-BJMVGYQFSA-N 307.346 3.574 5 1 DHBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 85999486 PRGKEDSKPDIDRJ-DGAAEQQCSA-N 323.460 3.823 5 1 DHBF O=C1C[C@@H](c2ccncc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587514299 WLCJLBGLPBJGGN-KRWDZBQOSA-N 324.336 3.575 5 1 DHBF O=[N+]([O-])c1cccnc1NCc1nc2cc3ccccc3cc2[nH]1 587269216 SWWPZUZQHODSLE-UHFFFAOYSA-N 319.324 3.631 5 1 DHBF O=C(c1cc(F)cc(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280252 PSUUDOSNSPKJLA-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(F)cc1 587646240 XYHPLJNYQUNQBP-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF Cc1cnc(-n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1 587876000 XPHPWKKZARYJRA-UHFFFAOYSA-N 312.260 3.396 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1C)O2 587388688 GHYHJUMVHJGQQW-MRXNPFEDSA-N 312.325 3.500 5 1 DHBF Cc1cc2cc3c(cc2c(-c2ccc([N+](=O)[O-])cc2)n1)OCO3 12948034 BHVKBVYLGQUKEY-UHFFFAOYSA-N 308.293 3.847 5 1 DHBF O=C(Nc1ccc2[nH]c(=O)c3ccccc3c2c1)c1ccccc1 28645741 HRGLGSFVRADZNM-UHFFFAOYSA-N 314.344 3.934 5 1 DHBF NCCCNc1nc2ccc(F)cc2c2[nH]c3ccccc3c12 169309457 RECUTCHCLLCPNK-UHFFFAOYSA-N 308.360 3.769 5 1 DHBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cc(O)ccc2c1 299869077 TYYMLYFWNLEQSE-UHFFFAOYSA-N 308.293 3.706 5 1 DHBF C[C@]12CC[C@@H]3c4ccc([N+](=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13606470 REKOAKCAFGKCFI-ZBRFXRBCSA-N 301.386 3.812 5 1 DHBF c1ccc2c(c1)c1c3c4c(cc5c(c42)OCO5)CCN3COC1 15148290 JZAGSFNUXMIAPB-UHFFFAOYSA-N 305.333 3.572 5 1 DHBF biogenic O=[N+]([O-])c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1F 586890593 RHIZXKBEOQDHGO-KPZWWZAWSA-N 323.327 3.982 5 1 DHBF O=C(COc1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587279851 DMXBLQKCBMGLHQ-UHFFFAOYSA-N 315.256 3.742 5 1 DHBF COc1ccc2c(c1)C[C@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)CC2 587947597 YKTIMYMDVOISJN-GFCCVEGCSA-N 323.352 3.752 5 1 DHBF C[C@@H]1c2cnccc2C[C@H]2c3[nH]c4ccccc4c3CC[N+]21C 14585749 KXNXUEUDDUKJMK-DBRZSTJRSA-N 304.417 3.924 5 1 DHBF O=[N+]([O-])c1cnc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 114973113 RURYUWNYNCFMGN-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF C=CC(=O)Nc1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 587244217 MYPHZWJMEUPHFJ-UHFFFAOYSA-N 322.324 3.571 5 1 DHBF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587951916 JTECAWUOPKVJIQ-OSMZGAPFSA-N 318.377 3.913 5 1 DHBF CC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1 4078811 ZBMKFQQSUVDSDW-FNORWQNLSA-N 316.338 3.511 5 3 DHBF O=C(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 587071244 XZGCWIYDJLFLCC-UHFFFAOYSA-N 315.716 3.550 5 1 DHBF CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc(F)c12 587636374 YYHVSBBPFAQCLV-UHFFFAOYSA-N 314.272 3.808 5 1 DHBF CC(C)=CCc1cc(O)c2oc3c(O)cccc3c(=O)c2c1O 28385467 OGHBGKMQVJAWLZ-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2cccc([N+](=O)[O-])c12 587648040 YSHNEEMCHSDUQU-UHFFFAOYSA-N 313.269 3.665 5 1 DHBF Cc1cccc2c1c(=O)c1c(O)c3c(cc1n2C)OC(C)(C)C=C3 5579718 SYFUQHSRSVYVOC-UHFFFAOYSA-N 321.376 3.890 5 1 DHBF CC[C@]12CCC[N+]([O-])(CC[C@]3(O)C(=Nc4ccccc43)CC1)C2 100773103 DJKWUXVCQNIASK-KTVLMBSMSA-N 314.429 3.649 5 1 DHBF endogenous,in-man O=[N+]([O-])c1cccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586889408 NNXOYEIHRREOFE-FZKQIMNGSA-N 305.337 3.843 5 1 DHBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587152031 WRXJSHQBAYZKSJ-QMMMGPOBSA-N 319.267 3.889 5 1 DHBF Cc1ccc(-c2cc(NCCC(C)C)ncn2)cc1[N+](=O)[O-] 82162460 MOIJGGVOBPXEOI-UHFFFAOYSA-N 300.362 3.818 5 1 DHBF CC1(C)CC(=O)c2cc3n(c2C1)CCc1cc([N+](=O)[O-])ccc1-3 40865390 ITQRWOPDRYZNTM-UHFFFAOYSA-N 310.353 3.775 5 1 DHBF Cc1ccc2nc(NCCCN)c3c4ccccc4[nH]c3c2c1 169309461 RICAYOBKYGMRNV-UHFFFAOYSA-N 304.397 3.938 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586887219 HGZMSFRHUYQQOR-KSSFIOAISA-N 305.337 3.843 5 1 DHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587160643 YEXFERXTVYBACR-UHFFFAOYSA-N 311.194 3.695 5 1 DHBF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 587636295 VBGLQSAXQKOAEC-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF CCc1cc2c3c(cc[n+]2nc1CC)c1ccc(OC)cc1n3C 26579358 RPCPHRZZHOMHGI-UHFFFAOYSA-N 320.416 3.599 5 1 DHBF Cc1c(Cl)ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267496 LEPFFBSAOXMDOB-SECBINFHSA-N 319.752 3.547 5 1 DHBF C[C@H](Oc1ccccc1)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278878 AJAKZSAVVWRUME-NSHDSACASA-N 311.293 3.991 5 1 DHBF Cc1cc2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2cc1[N+](=O)[O-] 586880189 OQCZNAOJLHEUIY-VOTSOKGWSA-N 323.308 3.544 5 1 DHBF O=C(c1ccc(Cl)cn1)c1coc2cc([N+](=O)[O-])ccc12 587280035 HIWJEBSFPCVUFO-UHFFFAOYSA-N 302.673 3.620 5 1 DHBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587195388 JMROPMZAKFGDRZ-NSHDSACASA-N 310.357 3.689 5 1 DHBF Cc1oc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587269187 SLGRWOHASTUORW-UHFFFAOYSA-N 315.182 3.596 5 1 DHBF CNc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1[N+](=O)[O-] 587211170 MTPPSRPISHXPSO-UHFFFAOYSA-N 305.337 3.950 5 1 DHBF CCOc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279674 NWHMGGRNUZOCCG-UHFFFAOYSA-N 311.293 3.971 5 1 DHBF Cc1[nH]c2c(C)cc(Cl)cc2c1-n1nc([N+](=O)[O-])cc1C 587626922 KGBYEXOSYCHQRB-UHFFFAOYSA-N 304.737 3.840 5 1 DHBF Cc1c/c(=N\C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2[nH]1 71341907 XLQINWLNIVVLIY-UHFFFAOYSA-N 322.324 3.517 5 1 DHBF C[N+]1(C)CCC[C@@H](COC(=O)c2ccccc2-c2ccccc2)C1 82155481 DMOZCNCWTVAMKU-QGZVFWFLSA-N 324.444 3.997 5 1 DHBF Cc1cc(OCC(=O)c2coc3ccccc23)ccc1[N+](=O)[O-] 322098923 LTJIEGSPIMHBEK-UHFFFAOYSA-N 311.293 3.911 5 1 DHBF COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(F)c3[nH]c21 473110111 UWOGNCRXEQLSQQ-UHFFFAOYSA-N 310.284 3.715 5 1 DHBF Cc1c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cccc1[N+](=O)[O-] 587260800 FZRVWAJCPWSLLK-UHFFFAOYSA-N 307.231 3.864 5 1 DHBF CC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645033 HWWTVIVCULNBSE-UHFFFAOYSA-N 322.189 3.933 5 1 DHBF COc1c(O)ccc2cnc3c4cc5c(cc4ccc3c12)OCO5 14887313 FYJSYMQIPQSCAB-UHFFFAOYSA-N 319.316 3.984 5 1 DHBF biogenic,in-vitro O=c1c2cc([N+](=O)[O-])ccc2sn1-c1ccc(Cl)cc1 72176848 YWFZZWAWDKRZIA-UHFFFAOYSA-N 306.730 3.614 5 1 DHBF COc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Cl 587160368 PYRLXYHRRTVRIU-UHFFFAOYSA-N 321.695 3.939 5 1 DHBF O=[N+]([O-])c1cccc2nc(CCc3ccccc3Cl)[nH]c12 587058229 GBNNNCJKNMVQAA-UHFFFAOYSA-N 301.733 3.910 5 1 DHBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1F 587148985 FPXCXMSOOJNJLJ-UHFFFAOYSA-N 321.695 3.843 5 1 DHBF O=c1c2ccccc2sc2cc(OC[C@@H]3CS3)cc(O)c12 169175509 KXVTZIWJAMFUIW-SNVBAGLBSA-N 316.403 3.615 5 1 DHBF O=C(Cc1ccccc1)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 299827427 JDULBRWRQIRSJU-OAHLLOKOSA-N 303.745 3.512 5 1 DHBF Cc1c2ccccc2nc2c1c1cc(N)ccc1n2CCN(C)C 205426971 XQODMZCEGUYXDB-UHFFFAOYSA-N 318.424 3.795 5 1 DHBF Cc1cc2[nH]c(/C=C\c3ccccc3C(=O)O)nc2cc1[N+](=O)[O-] 586879397 MBCWAKRJUXERJP-SREVYHEPSA-N 323.308 3.648 5 1 DHBF CC1(C)COc2c(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cccc21 586912367 RAWQZVMVWBNIKY-UHFFFAOYSA-N 309.325 3.808 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CN(C)C(=O)OC(C)(C)C 587646797 KHBZSJFFLZCVQL-UHFFFAOYSA-N 319.361 3.751 5 1 DHBF CC[C@@]12CCC[N+]([O-])(CC[C@]3(O)C(=Nc4ccccc43)CC1)C2 14686298 DJKWUXVCQNIASK-AQFHOAJTSA-N 314.429 3.649 5 1 DHBF endogenous,in-man O=[N+]([O-])c1cc(CSCc2ccccc2)cc([N+](=O)[O-])c1 169332061 OQRPGNXNITZQHA-UHFFFAOYSA-N 304.327 3.936 5 1 DHBF Cc1ccc2ccccc2c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586884655 WLNLDPRJVWMCTP-UHFFFAOYSA-N 304.309 3.995 5 1 DHBF O=[N+]([O-])c1cc(Cl)cc2[nH]c(CCc3ccccc3)nc12 299858951 FHHLFDZGQXAGAM-UHFFFAOYSA-N 301.733 3.910 5 1 DHBF C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 1911578231 CTLCSFGCIVNYGV-VAMGGRTRSA-N 312.433 3.591 5 1 DHBF Cn1c2nc3ccccc3c-2c(NCCCN)c2cc(F)ccc21 103082734 AUSRMEPMNDLSAI-UHFFFAOYSA-N 322.387 3.731 5 1 DHBF CN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2cccnc12 103275917 QXKIOTAUGJKEJL-UHFFFAOYSA-N 307.353 3.775 5 1 DHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1F 586890606 RHIZXKBEOQDHGO-XIKOKIGWSA-N 323.327 3.982 5 1 DHBF O=Nc1c([C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2ccccc12 169722490 IUJJKGUBKGMJDU-CYBMUJFWSA-N 322.280 3.558 5 1 DHBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587647443 IPQGSRPDTJTGBJ-UHFFFAOYSA-N 313.269 3.665 5 1 DHBF Cc1cccc2c1sc1ccc3[nH]c(C(=O)O)cc(=O)c3c12 169319951 IJFSWGWVSSXTDK-UHFFFAOYSA-N 309.346 3.903 5 1 DHBF C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(-c3ccccc3)cc2)CO1 1911578190 YFKGQTXFGJVCPU-WOJBJXKFSA-N 312.433 3.516 5 1 DHBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587929921 BHCDOWDHFPZCIZ-UGSOOPFHSA-N 323.352 3.925 5 1 DHBF O=[N+]([O-])c1cc2nc(CC3CCCCCC3)[nH]c2cc1[N+](=O)[O-] 587960863 NNROELRJZAVFTA-UHFFFAOYSA-N 318.333 3.892 5 1 DHBF O=C(O)c1cc(=O)c2c(ccc3sc4ccc(F)cc4c32)[nH]1 169319398 GUVSMUIAXJOLKS-UHFFFAOYSA-N 313.309 3.733 5 1 DHBF C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])ccc4CC[C@H]3[C@@H]1CC[C@@H]2O 13606467 AWSUHRBITJXIAJ-YFUQURRKSA-N 301.386 3.812 5 1 DHBF CCCc1c2nccc(Cl)c2cc2c(=O)cc(C(=O)O)oc12 29545887 ZWKMDWAXFCIOMJ-UHFFFAOYSA-N 317.728 3.645 5 1 DHBF Cc1cc2[nH]c(COc3cccc(C)c3C)nc2cc1[N+](=O)[O-] 587564724 WYXRBEHBBNTTFN-UHFFFAOYSA-N 311.341 3.975 5 1 DHBF O=[N+]([O-])c1ccc2ncccc2c1NCc1nc2ccccc2[nH]1 1857765147 LWMLAIQLONRAED-UHFFFAOYSA-N 319.324 3.631 5 1 DHBF CC(=O)Nc1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1 103231108 JJJABOGZOVZZRN-UHFFFAOYSA-N 308.362 3.854 5 1 DHBF CC(C)(Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587009302 ZGGOTXJRFHWHCU-UHFFFAOYSA-N 318.558 3.708 5 1 DHBF Cc1cncc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047780 NATKBRQXUNOPLF-HWKANZROSA-N 314.732 3.998 5 1 DHBF O=c1oc2ccccc2cc1-c1nc2ccc([N+](=O)[O-])cc2o1 1862470 LKYQWIQQBVYNJW-UHFFFAOYSA-N 308.249 3.509 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCC[C@@H]23)c(C(F)(F)F)c1 95580137 IDCAWNFWIIGMAC-MWLCHTKSSA-N 300.236 3.517 5 1 DHBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)CCC(C)(C)O2 5835822 KUCGZVVCEUHLAY-UHFFFAOYSA-N 323.392 3.804 5 1 DHBF Cc1cc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587107558 BQMGLCJDGJETPV-UHFFFAOYSA-N 322.246 3.860 5 1 DHBF Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1coc2ccccc12 587280670 QWUDTRJINHZKKQ-UHFFFAOYSA-N 313.313 3.509 5 1 DHBF O=[N+]([O-])c1ccc(-c2c(-c3ccccc3)nc3cnccn23)cc1 473170022 PHOLHCVGSBSRFX-UHFFFAOYSA-N 316.320 3.972 5 1 DHBF CC(=O)Nc1ccc2c(C)c3c4ccccc4n(C)c3nc2n1 13220986 YMINHMSRJLITEX-UHFFFAOYSA-N 304.353 3.542 5 1 DHBF CN(C)CCCn1nc2c3ccccc3sc3c(N)ccc1c32 29334423 QLPSQGQLAVBKMD-UHFFFAOYSA-N 324.453 3.938 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCC[C@@H]23)c(C(F)(F)F)c1 95580136 IDCAWNFWIIGMAC-KOLCDFICSA-N 300.236 3.517 5 1 DHBF Cc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Cl 587266985 DEGVLVQLBWHVDL-VIFPVBQESA-N 319.752 3.547 5 1 DHBF CCC[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)C 587956065 NWQKTLWYPRWFOP-VIFPVBQESA-N 306.322 3.919 5 1 DHBF COc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCC[C@]2(C)C(C)C 38440513 WGTHUWQTLBUSTK-OAHLLOKOSA-N 308.334 3.762 5 1 DHBF C[C@H](SCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586960291 ATVNBCXPRMZBHS-JTQLQIEISA-N 314.370 3.861 5 1 DHBF Nc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc2ccccc12 587254202 WBUAXVDFSFLNMA-UHFFFAOYSA-N 304.309 3.874 5 1 DHBF CC(C)C(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644718 BITLGEXOMDHTSX-UHFFFAOYSA-N 300.236 3.934 5 1 DHBF O=c1c2ccccc2oc2cc(OCCCN3CCCC3)ccc12 71316397 VBYOPWGZNOQMLT-UHFFFAOYSA-N 323.392 3.811 5 1 DHBF CC(=O)N1CCc2cc3c(c4c2c1cc1ccccc14)OCO3 13434454 FNUSCCFSHRMQQM-UHFFFAOYSA-N 305.333 3.631 5 1 DHBF endogenous,in-man O=[N+]([O-])c1c(O)sc2ccccc2/c1=N/Cc1ccccc1 103992210 ADAARDBCTUEXDC-VKAVYKQESA-N 312.350 3.616 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C)c1[N+](=O)[O-])O2 587391775 YSSJCSRTHWTCOC-HNNXBMFYSA-N 312.325 3.500 5 1 DHBF O=[N+]([O-])c1cc(F)cc(-c2cc3c4c(cccc4n2)CC3)c1O 587214052 VPHYOVMQOQQLGS-UHFFFAOYSA-N 310.284 3.753 5 1 DHBF Cc1[nH]c2c(C(=O)O)cccc2c1Cc1ccccc1[N+](=O)[O-] 587637760 HUVKNYHCQPIVJM-UHFFFAOYSA-N 310.309 3.674 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCC[C@H]23)c(C(F)(F)F)c1 95580135 IDCAWNFWIIGMAC-GXSJLCMTSA-N 300.236 3.517 5 1 DHBF O=C1c2cccc([N+](=O)[O-])c2CN1C12CC3CC(CC(C3)C1)C2 1857756393 QKVFBGURAUOFEO-UHFFFAOYSA-N 312.369 3.519 5 1 DHBF O=c1cc2oc3c4c(ccc3nc-2c2cccnc12)CCCC4 36475997 BYGZVTXPAGGMHU-UHFFFAOYSA-N 302.333 3.720 5 1 DHBF CCO[P@](=O)(O)Cc1cccc2c(=O)c3ccccc3oc12 26716215 FEGHPSZUPNZQSU-UHFFFAOYSA-N 318.265 3.668 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccc(F)c1 587646091 SVZLHTPVBXJQMK-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF O=c1c2ccc(Cl)cc2oc2cc(Cn3ccnc3)ccc12 1857640013 YKRQAYKUTPQBCM-UHFFFAOYSA-N 310.740 3.844 5 1 DHBF C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@@H]3[C@H]1CCC2=O 105035575 WNYWRAYXFFPPGN-YVVSIOMPSA-N 315.369 3.726 5 3 DHBF COC(=O)c1cc2c(c3c1ccc1c(OC)cccc13)OCO2 6019214 LBBQPQFZUZOHTO-UHFFFAOYSA-N 310.305 3.517 5 1 DHBF biogenic C[N+]1(COC(=O)[C@H](c2ccccc2)C2CCCC2)CCCC1 27546497 DYFZSSXWZMKONZ-GOSISDBHSA-N 302.438 3.702 5 1 DHBF CC[C@@]12CCC[N@@+]([O-])(CC[C@@]3(O)C(=Nc4ccccc43)CC1)C2 257405862 DJKWUXVCQNIASK-SVFBPWRDSA-N 314.429 3.649 5 1 DHBF endogenous,in-man O=[N+]([O-])c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109185 USDPIFBAGLJGRJ-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF C[C@@H]1CCc2sc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2C1 587033555 JLAPIVCVRPKNGS-MRVPVSSYSA-N 314.370 3.719 5 1 DHBF O=c1[nH]c2cc3cccnc3c(Cl)c2nc1Cc1ccccc1 73223513 FRKBQYUCDGUINM-UHFFFAOYSA-N 321.767 3.716 5 1 DHBF C[C@@H](Oc1ccc(F)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587168949 OMPZYEZVFWTDIZ-SECBINFHSA-N 301.277 3.750 5 1 DHBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587929919 BHCDOWDHFPZCIZ-FZKQIMNGSA-N 323.352 3.925 5 1 DHBF CCc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158756 HZYHGJJCXZODNW-UHFFFAOYSA-N 315.304 3.752 5 1 DHBF COCC(=O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587562875 IJUPOSREUPGLEK-UHFFFAOYSA-N 304.349 3.627 5 1 DHBF CC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644979 GRDITQMONRGXRQ-UHFFFAOYSA-N 322.189 3.933 5 1 DHBF CCCCNc1ccc2c3c(C(=O)O)c(=O)nc-3c3cccc1c32 45349902 RKDLKSVWXDJIRI-UHFFFAOYSA-N 320.348 3.639 5 1 DHBF O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1 221573963 DPJZNQHPIFDCGZ-UHFFFAOYSA-N 300.705 3.935 5 1 DHBF COc1ccc(C[C@H]2c3sccc3CC[N+]2(C)C)cc1OC 13648624 QQPFWLSAGMRDMO-HNNXBMFYSA-N 318.462 3.682 5 1 DHBF CCS[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 13919817 XCFFOWBCOFEAKL-KBPBESRZSA-N 310.419 3.592 5 1 DHBF c1ccc2c3c(N4CCOCC4)[nH]c4ccccc4c-3nc2c1 101963005 PRLUASRPWAAZMA-UHFFFAOYSA-N 303.365 3.658 5 1 DHBF CCN(CC)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 169321067 HHTMZJZRVYEPTP-UHFFFAOYSA-N 314.341 3.660 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586889407 NNXOYEIHRREOFE-ACJLOTCBSA-N 305.337 3.843 5 1 DHBF Cc1cc(C)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 587158731 GQYINODGQVRZQT-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF COC1(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CCCCC1 587279014 DHKHSAUWEJAAHJ-UHFFFAOYSA-N 303.314 3.873 5 1 DHBF Cc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1C 587158825 KCOAEDXGRBMEDQ-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF O=C(c1cccc(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280484 YHAHQDLXPJVECF-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NC1CCCCCC1 587646801 KIYANMHJFUEDDI-UHFFFAOYSA-N 315.373 3.837 5 1 DHBF Cc1c2n(c3ccccc13)CCN[C@H]2c1ccc([N+](=O)[O-])cc1 28566716 BTPDIJZLGANASF-KRWDZBQOSA-N 307.353 3.551 5 1 DHBF Cc1noc2cc3c(nc12)[nH]c1ccc(Br)cc13 95574934 HTPWKQZFEDUVEL-UHFFFAOYSA-N 302.131 3.928 5 1 DHBF O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccccc12 169723381 GGDVRGTXPGQCNT-UHFFFAOYSA-N 321.272 3.701 5 1 DHBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)OC(C)(C)C 587646942 NKLUVXODCZDKRW-UHFFFAOYSA-N 305.334 3.986 5 1 DHBF CCCc1cc(=O)c2c(OC)cc3cc(O)cc(OC)c3c2o1 53312705 QUPYOVWNMKVWDO-UHFFFAOYSA-N 314.337 3.622 5 1 DHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Cl)cc2[nH]1 587159550 RLBZZXBLPYXANO-UHFFFAOYSA-N 321.695 3.843 5 1 DHBF C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(-c3ccccc3)cc2)CO1 1911570852 YFKGQTXFGJVCPU-UXHICEINSA-N 312.433 3.516 5 1 DHBF Nc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F 587135243 WQKPSSCNLKQNJF-UHFFFAOYSA-N 324.674 3.652 5 1 DHBF COc1ccc2c(c1)cc1c3c(cc4c(c32)OCO4)CCN1C 13434466 WQKWRKGCEATEEI-UHFFFAOYSA-N 307.349 3.723 5 1 DHBF biogenic CSc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 28824675 AARZIUWATJNUAN-UHFFFAOYSA-N 312.350 3.825 5 1 DHBF Cc1nn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1Cl 587644398 ASEZXVIGDUVDKL-UHFFFAOYSA-N 304.737 3.840 5 1 DHBF CCCc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 45351372 GKPLGZQODPGACN-UHFFFAOYSA-N 315.329 3.897 5 1 DHBF Cc1ccc(SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1 586964557 HBHDWHJKQFOKLF-UHFFFAOYSA-N 314.370 3.775 5 1 DHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(F)cc3[nH]2)c1 587261695 GGPHGLQZTSUGPO-UHFFFAOYSA-N 315.304 3.540 5 1 DHBF CC(=O)c1ccc2[nH]c(/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 84711165 DYVSUJXUGRXGOK-RUDMXATFSA-N 307.309 3.844 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1C(F)(F)F 95579508 QQYJFVLDNICSNC-CABZTGNLSA-N 314.263 3.907 5 1 DHBF CC[C@]12CCC[N+]([O-])(CC[C@@]3(O)C(=Nc4ccccc43)CC1)C2 14686297 DJKWUXVCQNIASK-CHEUHSMRSA-N 314.429 3.649 5 1 DHBF endogenous,in-man O=C(c1cc(Cl)ccn1)c1coc2cc([N+](=O)[O-])ccc12 587280140 KXBPZEMZDROMAR-UHFFFAOYSA-N 302.673 3.620 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(C)c1)O2 587388670 FVPXAQWHBGINKF-MRXNPFEDSA-N 312.325 3.500 5 1 DHBF CC(C)c1c(CC(=O)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645019 HOOXNNYJMZEWRK-UHFFFAOYSA-N 314.263 3.873 5 1 DHBF CC(C)=CCc1cc(O)c2c(=O)c3cccc(O)c3oc2c1O 14819767 BRVVGOBMRRGKCK-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF endogenous,in-man CCc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 45365916 SHTCRRNHBZGCFF-UHFFFAOYSA-N 301.302 3.507 5 1 DHBF CC(C)[C@@](C)(O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586889977 OOJLFIYXTVDMDF-GOSISDBHSA-N 306.369 3.523 5 1 DHBF O=[N+]([O-])c1cc2nc(/C=C\c3ccsc3)[nH]c2cc1[N+](=O)[O-] 587025114 HAJPDUBOMXHVIP-UPHRSURJSA-N 316.298 3.611 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCC[C@@H]23)cc1C(F)(F)F 95579511 QQYJFVLDNICSNC-BXKDBHETSA-N 314.263 3.907 5 1 DHBF COc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Cl 587269129 QOPZQSFAUTZUJS-UHFFFAOYSA-N 307.693 3.702 5 1 DHBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc([N+](=O)[O-])c12 587647989 XIJYBVVSNNUYRK-UHFFFAOYSA-N 313.269 3.660 5 1 DHBF CC[C@H]1CCCCN1C(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587648311 CCBKXSKLNGHINP-LBPRGKRZSA-N 315.373 3.789 5 1 DHBF O=[N+]([O-])c1ccc(Cn2ccnc2)c(Sc2ccccc2)c1 49049194 FOCINXPGESCYHX-UHFFFAOYSA-N 311.366 3.991 5 1 DHBF in-vivo C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@@H]1C2 102752601 YEEYJVYBTJKOSN-YSVJGGJTSA-N 314.385 3.549 5 1 DHBF C[C@H]1CN(c2cc(=O)c3ccc4ccccc4c3o2)C[C@@H](C)O1 13608096 OVJCORVXSXXJLU-BETUJISGSA-N 309.365 3.560 5 1 DHBF O=c1c2ccccc2n(Cc2ccccc2)c2cccc(O)c12 64559914 ULZVQSRFRZYKHY-UHFFFAOYSA-N 301.345 3.909 5 1 DHBF C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587195387 JMROPMZAKFGDRZ-LLVKDONJSA-N 310.357 3.689 5 1 DHBF COc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1F 587261173 XIXLENGAHPUAHW-UHFFFAOYSA-N 301.277 3.594 5 1 DHBF CSc1ncccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280493 YMAOAGXXHWDKAI-UHFFFAOYSA-N 314.322 3.689 5 1 DHBF COC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1 26280074 ZTAAXZHIIZQOFC-UHFFFAOYSA-O 321.400 3.991 5 1 DHBF CCc1c(O)ccc2c1oc(=O)c1cc(Br)ccc12 28571485 IEWXZPGFIVZUJZ-UHFFFAOYSA-N 319.154 3.977 5 1 DHBF O=[N+]([O-])c1cc2nc(-c3ncccc3Cl)[nH]c2cc1Cl 587065460 QBWOKZUWBAGUMP-UHFFFAOYSA-N 309.112 3.840 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3cccc(Cl)c3[nH]2)c1 587269956 JXZSIAOBZDDQSN-UHFFFAOYSA-N 301.733 3.910 5 1 DHBF Cc1cccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1 587646653 GCMIFLDCQYCFLT-UHFFFAOYSA-N 309.325 3.945 5 1 DHBF Cc1oc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268501 AUFCXTHAPRNRTK-UHFFFAOYSA-N 313.100 3.741 5 1 DHBF Cc1[nH]c2ccccc2c(=O)c1/C=C/c1cccc([N+](=O)[O-])c1 64540050 KKHASCLOCBQBQM-MDZDMXLPSA-N 306.321 3.915 5 1 DHBF C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101767226 BOQHEVYQIXGRBL-BIAAXOCRSA-N 322.792 3.803 5 1 DHBF CC(C)=CCc1c(O)cc2oc3c(O)cccc3c(=O)c2c1O 14819720 XEHWUYVZHDBZHK-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic,in-vitro O=[N+]([O-])c1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)OCO2 587211936 ZHQGJPADLWIQDG-UHFFFAOYSA-N 320.304 3.637 5 1 DHBF O=[N+]([O-])c1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)C2)cc1 98082712 GCUZKILEXUQVBX-CQSZACIVSA-N 301.733 3.687 5 1 DHBF Cc1ccc2c3c1sc1ncccc1c3nn2CCN(C)C 26835639 IAALYUCAEIUARG-UHFFFAOYSA-N 310.426 3.669 5 1 DHBF C[C@H]1[C@H]2Cc3ccc([N+](=O)[O-])cc3[C@@]1(C)CCN2CC1CC1 102222829 OLFDRCDOQQCLTN-RZAIGCCYSA-N 300.402 3.529 5 1 DHBF Cc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1C 3291923 BASBSGJKZPTXNM-UHFFFAOYSA-N 309.321 3.679 5 3 DHBF Cc1c2n(c3ccccc13)CCN[C@@H]2c1ccc([N+](=O)[O-])cc1 28566714 BTPDIJZLGANASF-QGZVFWFLSA-N 307.353 3.551 5 1 DHBF Cn1c2nc3ccccc3c-2c(NCCCN)c2ccccc21 102995241 FZFFUHFHFGISQD-UHFFFAOYSA-N 304.397 3.592 5 1 DHBF FC(F)(F)OCc1nc2c3cccnc3c3ncccc3c2[nH]1 587122805 DSPRCJNUCCDPHH-UHFFFAOYSA-N 318.258 3.696 5 1 DHBF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646416 ACAWJPHGJHUFDW-UHFFFAOYSA-N 319.361 3.663 5 1 DHBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3ccccc3n(C)c12 15114964 ZVEGIYHOVGYFQS-UHFFFAOYSA-N 309.365 3.612 5 1 DHBF biogenic COc1ccc2c(=O)c3[nH]c4ccc(OC)cc4c3sc2c1 43024034 VOEFWQNATBQJNQ-UHFFFAOYSA-N 311.362 3.913 5 1 DHBF C[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276043 IEWTUCDBODYEJX-JTQLQIEISA-N 313.361 3.574 5 1 DHBF O=C(CCN1CCOCC1)c1ccc2ccc3ccccc3c2c1 27648025 HUFDLURCPAMEIK-UHFFFAOYSA-N 319.404 3.898 5 1 DHBF Cc1cc([N+](=O)[O-])cnc1-n1nc2cc1Oc1ccc(F)cc1-2 587874944 JXQWBYLWEPPZKD-UHFFFAOYSA-N 312.260 3.396 5 1 DHBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587929920 BHCDOWDHFPZCIZ-SCLBCKFNSA-N 323.352 3.925 5 1 DHBF CC(C)=CCc1ccc2oc3cc(C)cc(CO)c3c(=O)c2c1O 2356796126 MVYPGMIACHUIFU-UHFFFAOYSA-N 324.376 3.961 5 1 DHBF Cn1c2nc3ccccc3c-2c(NCCCCN)c2ccccc21 100938585 IBKDQYXWOMNBKE-UHFFFAOYSA-N 318.424 3.982 5 1 DHBF CC[C@@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n1 587081041 ZRTCRBGKKPOYOD-MRVPVSSYSA-N 319.752 3.959 5 1 DHBF COc1ccc2c(c1)C[C@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)CC2 587946995 PRMDHARYWUSNHK-GFCCVEGCSA-N 323.352 3.752 5 1 DHBF O=[N+]([O-])c1cnc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587088247 UWBNVRQVPVVQHK-UHFFFAOYSA-N 313.704 3.668 5 1 DHBF Cc1nn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1Cl 587645134 WYTUZLFNLKIEGT-UHFFFAOYSA-N 304.737 3.840 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](C)NC(=O)OC(C)(C)C 587647100 PVRHVSMBLNUNDT-JTQLQIEISA-N 319.361 3.970 5 1 DHBF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1cccc([N+](=O)[O-])c1 587636088 QDONAJQZRYJYGT-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF O=C(O)Cc1cccc2c(=O)c3cccc(C(F)(F)F)c3oc12 28771917 UNVOAGAIIALNNR-UHFFFAOYSA-N 322.238 3.592 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCC[C@@H]23)c(C(F)(F)F)c1 95580146 RIYAZEGHCJEQPR-PWSUYJOCSA-N 314.263 3.907 5 1 DHBF C[C@@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586962639 TZADRJROCSABNO-SNVBAGLBSA-N 314.370 3.861 5 1 DHBF Cc1cc(N(C)Cc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1F 587136712 JPXYZXLMFIWAEI-UHFFFAOYSA-N 314.320 3.555 5 1 DHBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3cc(O)ccc3oc12 14819763 OSLSVKJNPTZYBZ-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic C[C@H]1c2cnccc2C[C@H]2c3[nH]c4ccccc4c3CC[N+]12C 5159351 KXNXUEUDDUKJMK-KOUIWSPISA-N 304.417 3.924 5 1 DHBF Cc1c(-c2ccccn2)nc(-c2ccccn2)c(C)c1[N+](=O)[O-] 238808798 BQJFHSOBDKEWEJ-UHFFFAOYSA-N 306.325 3.731 5 1 DHBF CCCOc1cccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587778738 ONNOPZOIJICEKI-UHFFFAOYSA-N 311.341 3.851 5 1 DHBF Oc1c(Br)cc(Cl)c2nc3ccccc3nc12 653893400 ASAKCPQMOMLVHQ-UHFFFAOYSA-N 309.550 3.905 5 1 DHBF CC1(C)C=Cc2c(c(O)cc3oc4c(O)cccc4c(=O)c23)O1 14514134 GQYVLGVWKLRWPT-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic O=C(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(F)c1 587645538 BYPMIZNIRRMSSV-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF O=C(O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(F)c1 587646177 WFZVFDFCBIRZML-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1857626326 FNISDUWWUJVZRN-UHFFFAOYSA-N 303.701 3.873 5 1 DHBF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587951994 LDDUIPWFANLRJE-MJVIPROJSA-N 318.377 3.913 5 1 DHBF Cc1cc2[nH]c(/C=C/c3ccccc3C(=O)O)nc2cc1[N+](=O)[O-] 586879400 MBCWAKRJUXERJP-VOTSOKGWSA-N 323.308 3.648 5 1 DHBF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587951996 LDDUIPWFANLRJE-WDMOLILDSA-N 318.377 3.913 5 1 DHBF CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587156764 YQHXNXYWLGOPAD-GFCCVEGCSA-N 316.292 3.535 5 1 DHBF O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1coc2ccccc12 587281083 TUOYIXCMESVWGY-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF O=C1C[C@@H](c2ncccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587510376 AHIYUJYPYSCZOQ-INIZCTEOSA-N 324.336 3.575 5 1 DHBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1ccc1[nH]ccc12 28476585 FALSGSQLEMQBBD-UHFFFAOYSA-N 305.293 3.585 5 1 DHBF CC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818402 FRNQRVIVJSZVSN-GFCCVEGCSA-N 302.252 3.712 5 1 DHBF O=[N+]([O-])c1ccccc1OCc1cc2c3c(cccc3n1)CC2 587211158 MNXDMQYNGOLECV-UHFFFAOYSA-N 306.321 3.821 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N(C)c1ccccc1 587647477 ZAYPGCWQADCQFP-UHFFFAOYSA-N 309.325 3.661 5 1 DHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnccc4[nH]3)c2)c1 587270763 SOTDWMNYDLCOCA-UHFFFAOYSA-N 317.308 3.595 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1C)O2 587388964 IFBYYTFTCJKOLF-INIZCTEOSA-N 312.325 3.500 5 1 DHBF COc1cc(C)c2c(=O)c3c(O)cc(OC)c(Cl)c3oc2c1 13386764 XHCJIWRCLSSDCD-UHFFFAOYSA-N 320.728 3.631 5 1 DHBF biogenic CCc1oc2ccccc2c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586902715 FLFKGVVUMGFXIO-UHFFFAOYSA-N 308.297 3.842 5 1 DHBF Cc1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1[N+](=O)[O-] 587178173 TVLATEGTSVQXRO-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF O=[N+]([O-])c1ccc(COc2cccc(CN3CCCC3)c2)cc1 61936352 OBYSFSKRYPLABT-UHFFFAOYSA-N 312.369 3.770 5 3 DHBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 103175945 YILUXQNZKZKHBM-OAHLLOKOSA-N 303.701 3.955 5 1 DHBF Oc1ccc(Br)c2nc3cc(Cl)ccc3nc12 1857768127 UFBKJFRSGXOHBK-UHFFFAOYSA-N 309.550 3.905 5 1 DHBF C[C@H](Oc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587169147 UFDOYTQZZALYQG-VIFPVBQESA-N 301.277 3.750 5 1 DHBF COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1F 587280549 ZRGYTQQRBDTPAN-UHFFFAOYSA-N 315.256 3.720 5 1 DHBF NC1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 587256862 RGTGNLUMYHCINO-UHFFFAOYSA-N 317.396 3.644 5 1 DHBF COc1cccc2c1c(O)c1c3c(ccn1C)cc1c(c23)OCO1 2356784933 QRYXAUXZRHKNDP-UHFFFAOYSA-N 321.332 3.928 5 1 DHBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084821 UEMMZHZBQFAZAC-UHFFFAOYSA-N 309.112 3.840 5 1 DHBF CCCCN[P@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] 72122942 PDOTUFLYDWXBKU-NRFANRHFSA-N 316.294 3.816 5 1 DHBF O=[N+]([O-])c1c(NCc2ccc(F)cc2Cl)ccc2nonc12 95595434 GJLPBJAKALWNPH-UHFFFAOYSA-N 322.683 3.536 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)c([N+](=O)[O-])c1)O2 587391717 XNPLJUQABGZVPB-INIZCTEOSA-N 312.325 3.500 5 1 DHBF CC(C)=CCc1c(O)cc2oc3cccc(O)c3c(=O)c2c1O 238738576 NRRDCWANECTNTC-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587933295 VVKFTQXJLWCDBB-SGTLLEGYSA-N 323.352 3.925 5 1 DHBF O=[N+]([O-])c1cccc(Nc2cc3nc4ccccc4n3cn2)c1 103266954 WVAKKEOFLMTYIQ-UHFFFAOYSA-N 305.297 3.534 5 1 DHBF CN(C)C(=O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587196745 BFAMCCOGTVXXTP-UHFFFAOYSA-N 303.365 3.500 5 1 DHBF O=[N+]([O-])c1cccc(-c2cc(NCc3ccccc3)ncn2)c1 82160192 JJCDPJPNHWQUQH-UHFFFAOYSA-N 306.325 3.664 5 1 DHBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(O)cccc4oc23)O1 2356781875 JQFAEGGMFMHYLV-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF O=c1c2ccccc2sc2cc(OC[C@H]3CS3)cc(O)c12 169175589 KXVTZIWJAMFUIW-JTQLQIEISA-N 316.403 3.615 5 1 DHBF CCO[P@@](=O)(NCC(C)C)Oc1ccc(C)cc1[N+](=O)[O-] 72122943 QBUSCADFSWCGOB-NRFANRHFSA-N 316.294 3.672 5 1 DHBF O=[N+]([O-])c1cccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587083906 BXVZHCOJEBYTPU-UHFFFAOYSA-N 314.732 3.599 5 1 DHBF CNc1c(F)cccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587135492 DDFKWBZUZHHVKI-UHFFFAOYSA-N 320.711 3.972 5 1 DHBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)nc2cccc3c2c1CC3 587210426 BCEQGSIBBVLMOV-UHFFFAOYSA-N 306.321 3.923 5 1 DHBF O=C(c1c(-c2ccco2)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587645807 DJWOMLPYHZMISR-UHFFFAOYSA-N 306.224 3.784 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](C)NC(=O)OC(C)(C)C 587647332 WCQZNQAHSUJFQT-SNVBAGLBSA-N 319.361 3.970 5 1 DHBF CCOc1cccc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1 72107968 YBAJKOIVFNPMSP-UHFFFAOYSA-N 310.313 3.680 5 1 DHBF Nc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587251183 AZDKSGLTMDPIRW-ZZXKWVIFSA-N 314.732 3.877 5 1 DHBF C=Cc1c(C(C)(C)O)[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc12 28818438 URGGUPATSAHXNF-UHFFFAOYSA-N 314.263 3.965 5 1 DHBF CC(C)=CCOc1cc(O)c2c(=O)c3ccc(O)cc3oc2c1 84671276 ZKSQDPWNDFBSBM-UHFFFAOYSA-N 312.321 3.702 5 1 DHBF NCCc1c2c(c3[nH]ccc4c5ccccc5nc1c34)OCS2 169721193 SWYVSXNZXNQUKF-UHFFFAOYSA-N 321.405 3.813 5 1 DHBF CCOC(=O)[C@H](CCc1cccc([N+](=O)[O-])c1)c1ccccc1 71296610 PSMJQQVLQKBCOY-QGZVFWFLSA-N 313.353 3.874 5 1 DHBF c1ccc2c(c1)nc(N1CCNCC1)c1oc3ccccc3c12 13742133 QHAKQBRGFNJPJC-UHFFFAOYSA-N 303.365 3.544 5 1 DHBF COc1ccc2c(c1)[nH]c(=O)c1sc3ccc(OC)cc3c12 137853002 ZAUYUZDMVBLMND-UHFFFAOYSA-N 311.362 3.913 5 1 DHBF O=C1c2cc(-c3cccc([N+](=O)[O-])c3)ccc2N=C[C@@H]2CCCN12 26824726 APSDZQHWEQIJAG-HNNXBMFYSA-N 321.336 3.582 5 1 DHBF C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(-c3ccccc3)cc2)O1 1911576083 IYQVRLQCLKBAJS-WOJBJXKFSA-N 312.433 3.516 5 1 DHBF O=[N+]([O-])c1c(NCc2c(F)cccc2Cl)ccc2nonc12 95594025 GTGNVZIGIGASJW-UHFFFAOYSA-N 322.683 3.536 5 1 DHBF COc1cc(O)c2c(=O)oc3cc(OC)c(Cl)c(C)c3c2c1 14761034 CQEQTGQGSHCEQL-UHFFFAOYSA-N 320.728 3.631 5 1 DHBF biogenic O=C(c1cc(F)c(F)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587280146 LHBFPRUTSWBDIZ-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF C1=Cc2cc3ccc(cc4nc(cc5[nH]c(cc1n2)CC5)CC4)[nH]3 60316958 FWBFDXIBOYYUPH-UHFFFAOYSA-N 314.392 3.778 5 1 DHBF in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Cl 34006552 JFLMWUAMXJXUAG-UHFFFAOYSA-N 307.693 3.598 5 1 DHBF O=[N+]([O-])c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587780758 HQIMISKAYJRSEQ-DAXSKMNVSA-N 309.325 3.701 5 1 DHBF O=[N+]([O-])c1cc(-c2cn3ccsc3n2)ccc1Br 73139029 PSZFSNIMUVTXPW-UHFFFAOYSA-N 324.159 3.734 5 1 DHBF C[C@H]1CCc2sc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2C1 587034169 PXCKLHOLCZIPDK-QMMMGPOBSA-N 314.370 3.719 5 1 DHBF CC(C)(C)[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587259729 ZSSBPXTUGHKPKS-MRXNPFEDSA-N 305.385 3.705 5 1 DHBF Cc1ccc(C2=NC(C)(C)[N@]3[C@@H]2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 1857623357 YATCIHIUWARHCF-LQWHRVPQSA-N 321.380 3.868 5 1 DHBF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 587635807 NLYACISRLPEUHV-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF Cc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1C 587159179 LHUSPKCJLMHNIA-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF Cc1c(-c2cc(C(=O)O)ccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587646390 RBUSDELNMVTBFB-UHFFFAOYSA-N 314.272 3.889 5 1 DHBF C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101767221 BOQHEVYQIXGRBL-OXIWPEFWSA-N 322.792 3.803 5 1 DHBF O=[N+]([O-])c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1F 587042489 KYPUQKNSWJKLND-CQSZACIVSA-N 315.329 4.000 5 1 DHBF CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F 587645425 ULZANNHQMIYBEC-UHFFFAOYSA-N 300.236 3.945 5 1 DHBF C[C@@]12C[C@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@@H](O1)c1ccccc1N2 6248304 YIKIVCPEROTXPQ-UBDQQSCGSA-N 310.353 3.719 5 1 DHBF biogenic COc1cccc(CNc2ncc(-c3ccc([N+](=O)[O-])cc3)[nH]2)c1 72112562 YXGOACDTBIVICU-UHFFFAOYSA-N 324.340 3.606 5 1 DHBF COc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(Cl)n1 587083618 CGUURZMQKBOTBI-UHFFFAOYSA-N 318.720 3.504 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586887221 HGZMSFRHUYQQOR-RDTXWAMCSA-N 305.337 3.843 5 1 DHBF O=c1c2ccccc2oc2cc(NCCCn3ccnc3)ccc12 15935053 BIGHSKPZEDKQQU-UHFFFAOYSA-N 319.364 3.645 5 3 DHBF O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)s2)o1 33488226 CVWYIGOUXWDZBK-UHFFFAOYSA-N 319.367 3.999 5 1 DHBF COc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 84688601 WRVGRCOMIARLAT-UHFFFAOYSA-N 323.692 3.909 5 1 DHBF COc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95573840 JRFCRSQGXDYTNO-UHFFFAOYSA-N 324.695 3.648 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](C)NC(=O)OC(C)(C)C 587647101 PVRHVSMBLNUNDT-SNVBAGLBSA-N 319.361 3.970 5 1 DHBF CO[P@@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 28262594 BUIUQBWAKOIBPM-NRFANRHFSA-N 309.214 3.807 5 1 DHBF COc1c(O)c2c3c(cc4ccccc4c3c1OC)N(C)CC2 14775260 MBOVAZNWFZXHMQ-UHFFFAOYSA-N 309.365 3.708 5 1 DHBF biogenic NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432825 XQGLKIJVEQNZIJ-UHFFFAOYSA-N 318.405 3.980 5 1 DHBF biogenic O=C(Nc1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] 103220314 OCOBDAROTDIBKR-UHFFFAOYSA-N 314.326 3.849 5 1 DHBF COc1cccc(Oc2cc(O)nc3c([N+](=O)[O-])cccc23)c1 299871461 YPPWWXZIVUFFGW-UHFFFAOYSA-N 312.281 3.650 5 1 DHBF O=C(c1csc(Cl)n1)c1coc2cc([N+](=O)[O-])ccc12 587280593 LGRGUJHSAUPDCJ-UHFFFAOYSA-N 308.702 3.682 5 1 DHBF CCCC[C@]1(C)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26580079 LAXITFAHFNQHPO-MRXNPFEDSA-N 320.414 3.866 5 1 DHBF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccc(-c2ccoc2)o1 45373938 OIMHCIMCGBQYOQ-RIYZIHGNSA-N 322.276 3.941 5 1 DHBF O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 73198264 HQHWXSHBPLLIPY-UHFFFAOYSA-N 318.676 3.700 5 1 DHBF C[C@@](C(=O)O[C@@H]1CC[N+](C)(C)C1)(c1ccccc1)C1CCCC1 35032329 QWTPESUAWMGMNI-UYAOXDASSA-N 316.465 3.526 5 1 DHBF CCc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148535 JVJDCJSJWYPDTD-UHFFFAOYSA-N 315.304 3.752 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1ccc(C(F)(F)F)n1 587646347 PJWUNXBCWRNUEZ-UHFFFAOYSA-N 310.235 3.589 5 1 DHBF CCOCc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)o1 586902394 DZVVAVYMKCOVNS-UHFFFAOYSA-N 321.720 3.921 5 1 DHBF O=[N+]([O-])c1cccc2c(Oc3ccccc3F)cc(O)nc12 299864565 MMGVQWMGEMLSTN-UHFFFAOYSA-N 300.245 3.780 5 1 DHBF Cc1cc2nc(-c3ccc(Br)o3)[nH]c2cc1[N+](=O)[O-] 587007443 XXTQKNZPOPCACX-UHFFFAOYSA-N 322.118 3.802 5 1 DHBF O=C(c1cc([N+](=O)[O-])c(F)c(F)c1F)c1coc2ccccc12 587281066 SIWSOQFVMLRLLF-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF COc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCC[C@@]2(C)C(C)C 38440512 WGTHUWQTLBUSTK-HNNXBMFYSA-N 308.334 3.762 5 1 DHBF CCOC(=O)[C@@H](CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 71319049 WKINUTIZXHNPLO-KRWDZBQOSA-N 313.353 3.874 5 1 DHBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccccc4O)o3)oc2c1 1857587744 IRLMGSKYJHGHCH-UHFFFAOYSA-N 323.264 3.764 5 1 DHBF O=[N+]([O-])c1ccc(COc2ccccc2CN2CCCC2)cc1 61936347 WKNCUBJTLNKYLY-UHFFFAOYSA-N 312.369 3.770 5 3 DHBF CCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4 28006407 CICJQDIFTMGHTR-UHFFFAOYSA-N 323.352 3.856 5 1 DHBF O=[N+]([O-])c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587058657 HXVIKGBSCCIYRQ-UHFFFAOYSA-N 301.733 3.910 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081402 UTBGWXBFNHCLBH-AWEZNQCLSA-N 315.716 3.801 5 1 DHBF Cc1cc2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2cc1[N+](=O)[O-] 587195352 HXZRPOVRQPFGKK-LBPRGKRZSA-N 324.384 3.997 5 1 DHBF COc1ccccc1Oc1cc(O)nc2c([N+](=O)[O-])cccc12 299869347 ULPGLOXETWWYCP-UHFFFAOYSA-N 312.281 3.650 5 1 DHBF C[C@@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587168585 IZQHJXMXFIIEBY-MRVPVSSYSA-N 319.267 3.889 5 1 DHBF Cc1nc[nH]c1Cn1ccc2cc(C)c3ccccc3c2c1=O 13420 LMKUUCKIANRHNG-UHFFFAOYSA-N 303.365 3.543 5 1 DHBF COc1cc(C)ccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587926369 XYZYYMCOABAAHL-UHFFFAOYSA-N 301.277 3.594 5 1 DHBF CC(C)NC(=N)c1ccc2ccc3nc4ccccc4n3c2c1 28869185 SFOFQUQIOYUILE-UHFFFAOYSA-N 302.381 3.964 5 1 DHBF CC[C@H](C)n1cc(Cl)c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 587080107 RMKVUPNSTZRZDW-QMMMGPOBSA-N 319.752 3.959 5 1 DHBF COc1ccc(CNc2ncc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 72112496 HANSJNOGDMEHSJ-UHFFFAOYSA-N 324.340 3.606 5 1 DHBF COc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1F 587134354 OZIYFQLCSRAKSZ-UHFFFAOYSA-N 319.267 3.733 5 1 DHBF C[C@@H]1CN(c2cc(=O)c3ccc4ccccc4c3o2)C[C@@H](C)O1 28117298 OVJCORVXSXXJLU-CHWSQXEVSA-N 309.365 3.560 5 1 DHBF Cc1cc(Cl)cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267171 GFWODMAUBIFJRM-SECBINFHSA-N 319.752 3.547 5 1 DHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3ccccc3cc2[nH]1 587267333 IVNHLDCXVPXFNL-LLVKDONJSA-N 321.340 3.739 5 1 DHBF O=[N+]([O-])c1ccc(Cl)c(-c2ncnn2-c2ccc(F)cc2)c1 180945 SQIWUOOZCZOBLE-UHFFFAOYSA-N 318.695 3.635 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1C)O2 587388965 IFBYYTFTCJKOLF-MRXNPFEDSA-N 312.325 3.500 5 1 DHBF CCc1ccc([N+](=O)[O-])cc1Nc1nc(-c2cccnc2)c[nH]1 40429014 PBPXQQRWBHUZJU-UHFFFAOYSA-N 309.329 3.686 5 1 DHBF CC[C@@]12CCC[N+]([O-])(CC[C@@]3(O)C(=Nc4ccccc43)CC1)C2 14686295 DJKWUXVCQNIASK-QSJYAPKHSA-N 314.429 3.649 5 1 DHBF endogenous,in-man Cc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1 169309495 YQXQIQQNOMBJNW-UHFFFAOYSA-N 318.424 3.949 5 1 DHBF O=[N+]([O-])c1cccc(-c2ccc3c(c2)SN2CCCN=C32)c1 299863043 KLGLKPWARXILMR-UHFFFAOYSA-N 311.366 3.735 5 1 DHBF COc1cc2c3c(cc4cccc(OC)c4c3c1O)N(C)CC2 14775392 AFSDGOBFAVTWQC-UHFFFAOYSA-N 309.365 3.708 5 1 DHBF biogenic CCOc1ccc2c3c(cc4ccccc4c13)N(C)C(=O)C2=O 28863129 ULHBUXKTQOBCQN-UHFFFAOYSA-N 305.333 3.551 5 1 DHBF COc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587140255 VVYGQNKWSJVIJA-UHFFFAOYSA-N 321.695 3.939 5 1 DHBF Cc1oc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268842 MENWVQCKKHQYRT-UHFFFAOYSA-N 313.647 3.971 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3cc(F)c(F)cc3[nH]2)c1 587269896 IRTJVVOMIAXIRI-UHFFFAOYSA-N 303.268 3.535 5 1 DHBF CCO[P@](=O)(NCC(C)C)Oc1ccc(C)cc1[N+](=O)[O-] 72122944 QBUSCADFSWCGOB-OAQYLSRUSA-N 316.294 3.672 5 1 DHBF O=[N+]([O-])c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1F 587090581 RVFMSJCYQRQMNL-QMMMGPOBSA-N 315.585 3.534 5 1 DHBF Cc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1C 587148229 FQKGCXSAQDOWFY-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF O=[N+]([O-])c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175031 OONWPJLEXOXBBQ-UHFFFAOYSA-N 310.288 3.682 5 1 DHBF CC(=O)Nc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279296 FTIUJRYVDCBTKZ-UHFFFAOYSA-N 324.292 3.530 5 1 DHBF CN(C)C(=O)[C@@H]1CC(c2cc3ccccc3c3ccccc23)=NO1 84604860 QOBLQGQOFUZUAG-IBGZPJMESA-N 318.376 3.574 5 1 DHBF Cc1cnc(Cl)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc12 587160414 RBIKFMGHPJVSKD-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF O=C(c1cccnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279809 BGXAOPAUFKPELL-UHFFFAOYSA-N 302.673 3.620 5 1 DHBF O=C(O)CC12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 8466010 PPQDRUFGIBEALX-NLKGSNSHSA-N 315.369 3.908 5 1 DHBF CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45393008 PZBLZIXURGLVNI-UHFFFAOYSA-N 301.302 3.507 5 1 DHBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O)cc4oc23)O1 84668372 DJUSWNDLEYAVPC-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF CC[C@]1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 6002512 YBQWDYCLMNKQGB-HXUWFJFHSA-N 321.376 3.972 5 1 DHBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)N(C)C)ccc21 169326767 XAGVYVNDOSCWRO-UHFFFAOYSA-N 322.408 3.657 5 1 DHBF C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 209658906 UFSZYKLBZJNXLV-UXHICEINSA-N 318.481 3.584 5 1 DHBF O=[N+]([O-])c1ccc(/C=C/CNCCc2c[nH]c3ccccc23)cc1 1857602933 BQHATOAEKBHBSG-ONEGZZNKSA-N 321.380 3.922 5 1 DHBF O=[N+]([O-])c1ccc(C2=NN[C@H](c3ccc(Cl)cc3)C2)cc1 98082711 GCUZKILEXUQVBX-AWEZNQCLSA-N 301.733 3.687 5 1 DHBF O=[N+]([O-])c1cccc(-c2cc(NCc3ccc(F)cc3)ncn2)c1 82160245 YOINTUUUVJMNHY-UHFFFAOYSA-N 324.315 3.803 5 1 DHBF CO[C@H]1CC(=C(c2cccs2)c2cccs2)C[N+](C)([O-])C1 238748886 RPSJFVMNZZZWAS-CWQZNGJJSA-N 321.467 3.975 5 1 DHBF O=C(c1cc(F)ccc1F)c1coc2cc([N+](=O)[O-])ccc12 587279984 FUPRAODYZKYISH-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF CC(C)(C)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 473115494 SYKGOXXXYMPYBU-UHFFFAOYSA-N 315.325 3.817 5 1 DHBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4cccc(O)c4)o3)oc2c1 1857540923 LTVWZFWICHDTCZ-UHFFFAOYSA-N 323.264 3.764 5 1 DHBF COc1ccc2[nH]c(C(=O)c3cccc([N+](=O)[O-])c3C)cc2c1 13470999 DBFWCTWFWCTPDA-UHFFFAOYSA-N 310.309 3.624 5 1 DHBF O=[N+]([O-])c1cc(-c2cc3c4c(cccc4n2)CC3)cc([N+](=O)[O-])c1 587211765 VYUXZCBUPWUWOJ-UHFFFAOYSA-N 321.292 3.817 5 1 DHBF COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(F)c1 587280167 MGQRUASGRKMBFR-UHFFFAOYSA-N 315.256 3.720 5 1 DHBF C[n+]1c2ccccc2cc2[nH]c3c([N+](=O)[O-])c(Cl)ccc3c21 28826852 FIBDXMOJFLOPHL-UHFFFAOYSA-O 312.736 3.860 5 1 DHBF O[C@H](CN1CCCCC1)c1c2ccccc2nc2ccccc12 5939870 NJBBDDMYJMWAFJ-LJQANCHMSA-N 306.409 3.907 5 1 DHBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc([N+](=O)[O-])cn1 963229578 NUPVJEVQMWTHSL-SCLBCKFNSA-N 311.385 3.736 5 1 DHBF Cc1cc(-c2cc3c4c(cccc4n2)CC3)c(O)c([N+](=O)[O-])c1 587211889 YKTMVBVGNGHENW-UHFFFAOYSA-N 306.321 3.923 5 1 DHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3ccccc3cc2[nH]1 587274239 OLRUIGHBGUTBPO-NSHDSACASA-N 321.340 3.625 5 1 DHBF COc1cc(NC(=O)c2cccc(C)c2)c(Cl)cc1[N+](=O)[O-] 5364266 YWRKRFBLWRCVKT-UHFFFAOYSA-N 320.732 3.818 5 3 DHBF Cc1ccc(C)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 45351994 GQZZDHNGCNNYQF-UHFFFAOYSA-N 301.302 3.561 5 1 DHBF O=[N+]([O-])c1cncc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587113718 SSKNRERQXDIKHB-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587951917 JTECAWUOPKVJIQ-QKCSRTOESA-N 318.377 3.913 5 1 DHBF Cc1ccc(C2=NC(C)(C)N3[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]23)cc1 34288498 YATCIHIUWARHCF-GAOSQQNJSA-N 321.380 3.868 5 3 DHBF CC1(C)C=Cc2c(c(O)cc3oc4cccc(O)c4c(=O)c23)O1 14768743 XLFLUEOTDUTLCF-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic,in-vitro C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 1911578659 XPXPKUQRUOKHFD-WOJBJXKFSA-N 318.481 3.584 5 1 DHBF COc1cc2c3c(c(C)c4ccccc4c3c1OC)N(C)C2=O 40880272 IKQNRVCBRJHIMF-UHFFFAOYSA-N 307.349 3.909 5 1 DHBF COc1c(O)cc2c3c(c(C)c4ccccc4c13)N(C=O)CC2 6069443 CBOXKGYGGIZZOU-UHFFFAOYSA-N 307.349 3.535 5 1 DHBF biogenic O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587151119 QGWTYCTXOGRNML-FNORWQNLSA-N 301.252 3.920 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@H](C)c1ccccc1 587646424 AEABJRPARNAFLZ-LLVKDONJSA-N 323.352 3.876 5 1 DHBF Cc1c(F)ccc2c1[C@@H](c1c(F)cc(F)cc1[N+](=O)[O-])NCC2 962373651 IQKRGZYGTAVCSF-INIZCTEOSA-N 322.286 3.556 5 1 DHBF CC[C@@]12CCC[N@+]([O-])(CC[C@@]3(O)C(=Nc4ccccc43)CC1)C2 255206065 DJKWUXVCQNIASK-DYXWJJEUSA-N 314.429 3.649 5 1 DHBF endogenous,in-man O=[N+]([O-])c1c(Br)ccc2nc(C3=CCCC3)[nH]c12 586883404 JCLMCGXPWIJYFS-UHFFFAOYSA-N 308.135 3.801 5 1 DHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccccc3[nH]2)c1 587269055 JBAKPAHGMBLYII-UHFFFAOYSA-N 308.341 3.738 5 1 DHBF CCC[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)C 587956064 NWQKTLWYPRWFOP-SECBINFHSA-N 306.322 3.919 5 1 DHBF CN1Cc2sc([N+](=O)[O-])cc2[C@@H](c2ccc(Cl)cc2)C1 38157525 SDNPRNXXGOCLPR-GFCCVEGCSA-N 308.790 3.887 5 1 DHBF O=[N+]([O-])c1ccc2c(c1)nc1n2CCOc2ccc(Cl)cc2-1 299868829 SKTUAZAHKAWOAS-UHFFFAOYSA-N 315.716 3.657 5 1 DHBF CN(C)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279490 JQKAMKSOGNWDEN-UHFFFAOYSA-N 310.309 3.638 5 1 DHBF CCc1ccc2nc3c(O)ccc(Br)c3nc2c1 1857767853 KUGQGQCWBDVRLB-UHFFFAOYSA-N 303.159 3.814 5 1 DHBF CC(C)[C@]1(C)CCCc2c1cc([N+](=O)[O-])c(N(C)C)c2[N+](=O)[O-] 38927847 SAMZASMCXUGDBY-INIZCTEOSA-N 321.377 3.819 5 1 DHBF C[C@](C(=O)O[C@@H]1CC[N+](C)(C)C1)(c1ccccc1)C1CCCC1 43132916 QWTPESUAWMGMNI-QUCCMNQESA-N 316.465 3.526 5 1 DHBF Cc1sc2c(c1C)CCN[C@@]2(C)c1cccc([N+](=O)[O-])c1C 963016196 XSJKGKRGYICFMF-KRWDZBQOSA-N 316.426 3.991 5 1 DHBF CC[C@@H](Oc1ccccc1F)c1nc2cncc([N+](=O)[O-])c2[nH]1 587156234 QYNSURRDWCDBSD-GFCCVEGCSA-N 316.292 3.535 5 1 DHBF CN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc12 28759939 PCRNSUWZKHSAPE-UHFFFAOYSA-N 300.365 3.911 5 1 DHBF O=[N+]([O-])c1cc2nc(COc3ccc(F)cc3)[nH]c2cc1Cl 587168633 JZFOZLHDNNNCLW-UHFFFAOYSA-N 321.695 3.843 5 1 DHBF O=c1c2ccccc2oc2ccc(NCCCn3ccnc3)cc12 15935069 SLYXIRBHBDZGSM-UHFFFAOYSA-N 319.364 3.645 5 3 DHBF Nc1nc2c([N+](=O)[O-])c(Nc3cc(F)cc(Cl)c3)ccc2[nH]1 95594144 GOYKPTVODBAOPR-UHFFFAOYSA-N 321.699 3.589 5 1 DHBF O=[N+]([O-])c1cccc2c(Oc3cccc(F)c3)cc(O)nc12 299861554 ILXBNFVRAQZOPO-UHFFFAOYSA-N 300.245 3.780 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCC[C@H]23)c(C(F)(F)F)c1 95580134 IDCAWNFWIIGMAC-ONGXEEELSA-N 300.236 3.517 5 1 DHBF COC(=O)c1c(O)ccc2[nH]c3c(O)c4ccccc4cc3c12 1663328 BDHPFHOIRJLORJ-UHFFFAOYSA-N 307.305 3.672 5 1 DHBF COC(=O)Cc1cccc2c(=O)c3ccc4oc(C)cc4c3oc12 27554517 YQTQGNIAHIWMOB-UHFFFAOYSA-N 322.316 3.716 5 1 DHBF O=C1CCc2c3c4c(cc(O)cc4c4ccc(O)c1c24)[C@H](O)CC3 2356359680 QGJYUNNYYGGAKL-OAHLLOKOSA-N 320.344 3.513 5 1 DHBF CN1CCC2(CC1)CN(c1ccccc1[N+](=O)[O-])c1ccccc12 28108566 GHYMUJBDBUDPNI-UHFFFAOYSA-N 323.396 3.710 5 1 DHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc4ncccc4c3[nH]2)c1 587160160 JRWXDQYTONOLFU-UHFFFAOYSA-N 308.272 3.825 5 1 DHBF O=C(c1ccc(F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587279827 CINLMKHWWLYQRJ-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF c1ccc2nc3cc4[nH]c(CCOCC5CC5)nc4cc3nc2c1 587783056 FFRQYQDCRAPHJM-UHFFFAOYSA-N 318.380 3.628 5 1 DHBF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586888219 JGRPTWMELUDGMO-MEDUHNTESA-N 311.341 3.617 5 1 DHBF Cc1cc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2cc1[N+](=O)[O-] 587175273 XDSDWPAIAHQVLT-HNNXBMFYSA-N 313.288 3.595 5 1 DHBF CCc1[nH]c(=O)c2oc3cc4ccccc4cc3c2c1C(=O)O 5502383 YMEIBEYKNUUBDD-UHFFFAOYSA-N 307.305 3.688 5 1 DHBF CC1(C)C=Cc2c(c(O)cc3c(=O)c4c(O)cccc4oc23)O1 13485104 LRICMAYRBWRRLO-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic,in-vitro COc1ccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(F)c1 587148421 GWFPDZLMVXXPQB-UHFFFAOYSA-N 315.304 3.518 5 1 DHBF CC[N+]1(C)CC[C@H](OC(=O)[C@H](c2ccccc2)C2CCCC2)C1 198 ALFZXSYVXNSOBR-KTVLMBSMSA-N 316.465 3.742 5 1 DHBF COc1ccc2c(cnc3c4cc5c(cc4ccc23)OCO5)c1O 13385533 FRSOYBXQJMIDQW-UHFFFAOYSA-N 319.316 3.984 5 1 DHBF biogenic Cc1cc2[nH]c([C@H](O)c3ccccc3Cl)nc2cc1[N+](=O)[O-] 587060051 ZNCVYSPTBVYJAX-CQSZACIVSA-N 317.732 3.515 5 1 DHBF O=[N+]([O-])c1ccc2nc(CNc3ccc(Cl)cc3)cnc2c1 98085471 ZPQWOJDBYVYIHY-UHFFFAOYSA-N 314.732 3.804 5 1 DHBF Cc1cc2[nH]c(-c3cc(S)ccc3F)nc2cc1[N+](=O)[O-] 587143140 XSAUDVDLOWFJMO-UHFFFAOYSA-N 303.318 3.874 5 1 DHBF O=[N+]([O-])c1ccc(OCc2nc3cccc(Cl)c3[nH]2)cc1F 587148946 FCKBVEAISUIWNG-UHFFFAOYSA-N 321.695 3.843 5 1 DHBF Oc1c(Cl)cc(Br)c2nc3ccccc3nc12 653878512 SBUOUFNIZJVMRN-UHFFFAOYSA-N 309.550 3.905 5 1 DHBF CCc1oc2ccccc2c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586904355 SRAQQBGRQIMTCZ-UHFFFAOYSA-N 308.297 3.842 5 1 DHBF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cc([N+](=O)[O-])cs1 28572507 CTNAHDJPQFHXNF-QMTHXVAHSA-N 320.757 3.687 5 1 DHBF O=c1cc2oc3cc4c(cc3nc-2c2cccnc12)CCCC4 36475977 JCAYWFZMCCCBLK-UHFFFAOYSA-N 302.333 3.720 5 1 DHBF CN(C)CCNc1c2ccccc2[n+](C)c2c1oc1ccccc12 55768197 XHBLNTFKTOHRJC-UHFFFAOYSA-O 320.416 3.537 5 1 DHBF Cc1ccc(CNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82160541 NHIAYFHAIJUNHY-UHFFFAOYSA-N 320.352 3.972 5 1 DHBF O=[N+]([O-])c1cc2nc(CCc3ccccc3F)[nH]c2cc1F 587151383 XWHCBLUIEHFOCS-UHFFFAOYSA-N 303.268 3.535 5 1 DHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(F)c3[nH]2)c1 587261651 FASIBAHCGSJAEU-UHFFFAOYSA-N 315.304 3.540 5 1 DHBF CC[C@@]12CCC[N+]3([O-])CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]23 15149001 CROBNNIXIZTTOQ-KTVLMBSMSA-N 310.397 3.787 5 1 DHBF C[C@H]1[C@@H]2Cc3ccc([N+](=O)[O-])cc3[C@@]1(C)CCN2CC1CC1 27763153 OLFDRCDOQQCLTN-IGNZVWTISA-N 300.402 3.529 5 1 DHBF O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2cc(O)ccc2c1 299862413 JPXHCMRZHKMXSF-UHFFFAOYSA-N 308.293 3.706 5 1 DHBF Cc1ccc(OCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279739 QDRJZCFHOULROV-UHFFFAOYSA-N 311.293 3.911 5 1 DHBF O=[N+]([O-])c1ccc(OCCOc2ccc(-n3cccc3)cc2)cc1 473135004 DSPLFZIGLCSIGG-UHFFFAOYSA-N 324.336 3.843 5 1 DHBF O=[N+]([O-])c1cccc(COc2ccccc2CN2CCCC2)c1 61936349 DNLQQEUQPNRSGD-UHFFFAOYSA-N 312.369 3.770 5 3 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(C)c1)O2 587388669 FVPXAQWHBGINKF-INIZCTEOSA-N 312.325 3.500 5 1 DHBF Oc1ccc2c3c(c4ccccc4c2c1)CN1CCC[C@H]1[C@H]3O 66259098 SOAYCUPONIFPGN-AZUAARDMSA-N 305.377 3.710 5 1 DHBF Cc1c(O)c(Cl)cc2c1c(=O)oc1c(Cl)c(O)ccc12 28571416 GAJUDVNDWDCGQN-UHFFFAOYSA-N 311.120 3.973 5 1 DHBF COc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F 587280461 XMORLDIHBVGVAY-UHFFFAOYSA-N 315.256 3.720 5 1 DHBF CN1CCC[C@H]1CCNc1ccc2c(=O)c3ccccc3oc2c1 15935761 HDPRCSYTSRPGLU-HNNXBMFYSA-N 322.408 3.842 5 3 DHBF Cc1cccc2c1c(=O)c1c(O)cc3c(c1n2C)C=CC(C)(C)O3 6491439 CSYSIDMKPSHLMD-UHFFFAOYSA-N 321.376 3.890 5 1 DHBF c1ccc2c(c1)nc(N1CCCNCC1)c1c3ccccc3[nH]c21 169309441 KAIBQKPXJMSEBH-UHFFFAOYSA-N 316.408 3.669 5 1 DHBF CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F 587645020 HPNKVNCRFNUKRM-UHFFFAOYSA-N 300.236 3.945 5 1 DHBF CCOc1ccc(C(=O)CN2C=C[C](C)C(C)=C2)cc1[N+](=O)[O-] 2356867210 KFPZXAJKMQUJPL-UHFFFAOYSA-N 315.349 3.504 5 1 DHBF NCCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc[nH]3)ccc12 28955874 WSNKYVKDHMGPHF-UHFFFAOYSA-N 317.392 3.568 5 1 DHBF O[C@H]1CC[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 586895887 BCQLIJZXXKNKLP-TXEJJXNPSA-N 318.380 3.678 5 1 DHBF Cc1cnc(Cl)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc12 587270416 ODTDQWZRNJWMME-UHFFFAOYSA-N 316.748 3.613 5 1 DHBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586886318 FKAMMWZWZONUOF-BDJLRTHQSA-N 311.341 3.617 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)c([N+](=O)[O-])c1)O2 587391718 XNPLJUQABGZVPB-MRXNPFEDSA-N 312.325 3.500 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1ccc(C(F)(F)F)n1 587646568 VHQOWYRQXJIATL-UHFFFAOYSA-N 310.235 3.589 5 1 DHBF Cc1cc([N+](=O)[O-])ccc1Nc1cccc(Cn2ccnc2)c1 95581641 ONJNDFVOJJVHFI-UHFFFAOYSA-N 308.341 3.892 5 1 DHBF CN(C)CCN=c1c2ccccc2n(C)c2c1oc1ccccc12 377811504 XHBLNTFKTOHRJC-UHFFFAOYSA-N 319.408 3.540 5 1 DHBF CC(C)=CCc1c(O)ccc2oc3c(O)ccc(O)c3c(=O)c12 198385771 ACRSCWSDSPDOCV-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF O=C(O)C(=Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 1857623488 IBZKMUWZHNKPTK-UHFFFAOYSA-N 303.701 3.873 5 1 DHBF Cc1cc2[nH]c(-c3ccc(O)cc3Cl)nc2cc1[N+](=O)[O-] 587053627 HCKRVYRNTDNSIF-UHFFFAOYSA-N 303.705 3.806 5 1 DHBF C[C@@H]1[C@H]2Cc3ccc([N+](=O)[O-])cc3[C@@]1(C)CCN2CC1CC1 169321063 OLFDRCDOQQCLTN-PJSAGSTRSA-N 300.402 3.529 5 1 DHBF CNC(=O)[C@@H]1C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587235081 KVIQUNXJPFZRJE-HZPDHXFCSA-N 315.376 3.719 5 1 DHBF CCn1c(=O)c2c3ccc(OC)cc3[nH]c2c2ccc(OC)cc21 1636369 RAABQANJLMSOKK-UHFFFAOYSA-N 322.364 3.673 5 1 DHBF O=C(O)Cc1cccc2c(=O)c3ccc(Cl)c(Cl)c3oc12 26285852 LMHHOMVTPIWXEX-UHFFFAOYSA-N 323.131 3.880 5 1 DHBF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1[N+](=O)[O-] 587210699 DVVXCIILQKPBKC-UHFFFAOYSA-N 306.321 3.917 5 1 DHBF Cc1ccc2nc(O)c(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2c1 1857764456 BIEAGGCDGUHTAM-UHFFFAOYSA-N 320.308 3.700 5 1 DHBF O=C(O)Cc1cccc2c(=O)c3ccc4ccccc4c3oc12 26278701 YHAXJPZXRKFPHK-UHFFFAOYSA-N 304.301 3.727 5 1 DHBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(F)cnc3[nH]2)ccc1Cl 587048355 UBIHPSNVMLSKNR-RQOWECAXSA-N 318.695 3.829 5 1 DHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cnc4ccccc4c3[nH]2)c1 587160071 FHGLQAOTTGQUFY-UHFFFAOYSA-N 308.272 3.825 5 1 DHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C)cc3[nH]2)c1 587261373 AAQOJJQNBSSWDM-UHFFFAOYSA-N 311.341 3.709 5 1 DHBF C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 1911576670 XPXPKUQRUOKHFD-UXHICEINSA-N 318.481 3.584 5 1 DHBF C[C@]12CC[C@@H]3c4cccc([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2O 13606472 XILPMFUYNJQHRT-YVEZLPLXSA-N 301.386 3.812 5 1 DHBF Nc1nc2c(s1)Cc1cc(-c3cccc([N+](=O)[O-])c3)ccc1-2 13671312 YMPRBXKTQWXHLA-UHFFFAOYSA-N 309.350 3.872 5 1 DHBF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 587636349 XOPYGGQPAJNPGH-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccccc1[N+](=O)[O-] 587646894 AMGVWMHLEUDVMH-UHFFFAOYSA-N 311.297 3.884 5 1 DHBF Cc1nc(C)c(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)s1 587011066 BROYGSPIRIDHNC-UHFFFAOYSA-N 322.777 3.789 5 1 DHBF O=c1c2cc3ccccc3cc2[nH]c(=S)n1Cc1cccnc1 425068 XLFFPXZRGRYXIM-UHFFFAOYSA-N 319.389 3.656 5 1 DHBF CNC(=S)C1=CC2(CCCCC2)Oc2ccc([N+](=O)[O-])cc21 26577945 AFGVYNMBCFLREA-UHFFFAOYSA-N 318.398 3.620 5 1 DHBF COc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1Cl 1857640977 KPKZHPUOQLIXII-UHFFFAOYSA-N 303.705 3.800 5 1 DHBF CNC(=O)[C@H]1C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587235080 KVIQUNXJPFZRJE-HOTGVXAUSA-N 315.376 3.719 5 1 DHBF Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587564693 OQJXUVZORHCXKI-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc([N+](=O)[O-])cn1 963229580 NUPVJEVQMWTHSL-UGSOOPFHSA-N 311.385 3.736 5 1 DHBF O=c1[nH]c(NCc2ccccc2)nc2ccc3c(F)cccc3c12 13832496 ROSDYPDXTSWZMK-UHFFFAOYSA-N 319.339 3.828 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCC[C@@H]23)cc1C(F)(F)F 95576820 PHPKNJVMRNRLMZ-KCJUWKMLSA-N 300.236 3.517 5 1 DHBF C[N+]1(COC(=O)[C@@H](c2ccccc2)C2CCCC2)CCCC1 27546500 DYFZSSXWZMKONZ-SFHVURJKSA-N 302.438 3.702 5 1 DHBF COc1c2c(cc3c1c(=O)c1ccccc1n3C)OC(C)(C)C=C2 135964239 ZTKMNYDOFAYRAK-UHFFFAOYSA-N 321.376 3.885 5 1 DHBF Cc1c(F)ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148581 KNTYWGCGCVTIFW-UHFFFAOYSA-N 319.267 3.637 5 1 DHBF O=C(c1ccc(F)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587280180 MTAWNNDKKAZDBI-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(O)c3[nH]2)c1F 587139432 KCITWWDNXUUTNB-UHFFFAOYSA-N 307.668 3.636 5 1 DHBF O=C(O)Cc1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645804 KUGKJNCUIPPVQU-UHFFFAOYSA-N 314.272 3.509 5 1 DHBF O=C(O)Cc1cccc2c(=O)c3cc4ccccc4cc3oc12 26290294 PRDAMZCSRAVRRI-UHFFFAOYSA-N 304.301 3.727 5 1 DHBF O=C(c1ccc(Cl)nc1)c1coc2cc([N+](=O)[O-])ccc12 587280359 USRZSWNTNVQOCI-UHFFFAOYSA-N 302.673 3.620 5 1 DHBF COc1cccc2cc3c4c(ccc3cc12)C[C@](C)(O)CC4=O 2356417139 ROQRYDSBEWKMJK-FQEVSTJZSA-N 306.361 3.882 5 1 DHBF CC[C@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586914495 WAHQVSJBVCYUKI-AMIZOPFISA-N 309.753 3.797 5 1 DHBF C[C@H]1CCc2sc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2C1 587033556 JLAPIVCVRPKNGS-QMMMGPOBSA-N 314.370 3.719 5 1 DHBF CCCCCCN1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 45193468 FIBYKFAAYPZKCD-UHFFFAOYSA-N 319.449 3.729 5 1 DHBF COc1cccc2cc3c4c(ccc3cc12)C[C@@](C)(O)CC4=O 238755230 ROQRYDSBEWKMJK-HXUWFJFHSA-N 306.361 3.882 5 1 DHBF O=c1oc2cc3ccccc3cc2c(=O)n1-c1ccc(Cl)cc1 84652554 VJZDFGDJEYAKJB-UHFFFAOYSA-N 323.735 3.751 5 1 DHBF O=c1c2ccccc2oc2c(Cl)ccc(Cn3ccnc3)c12 95586314 HJWKBORBWDDYTP-UHFFFAOYSA-N 310.740 3.844 5 1 DHBF Cc1ccc(CNC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587647249 SSHGLSYSBKFCJM-UHFFFAOYSA-N 323.352 3.623 5 1 DHBF COc1ccc2c(c1)nnn1c3cc(Cl)c(Cl)cc3nc21 299834072 TUPIRXRPCQFCGT-UHFFFAOYSA-N 319.151 3.746 5 1 DHBF CCCN(CC)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 28960036 DOASZIZDFJMGIM-UHFFFAOYSA-N 317.345 3.676 5 1 DHBF CCc1ccc(C(=O)CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587956545 FXOQXKOBSJBJTD-UHFFFAOYSA-N 323.352 3.849 5 1 DHBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586886345 FKAMMWZWZONUOF-BZNIZROVSA-N 311.341 3.617 5 1 DHBF Nc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587251182 AZDKSGLTMDPIRW-UTCJRWHESA-N 314.732 3.877 5 1 DHBF O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586897754 IUIPGSZIRVCXNS-UHFFFAOYSA-N 309.325 3.723 5 1 DHBF O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587151030 PIJIKRWJRPCNOA-KXFIGUGUSA-N 301.252 3.920 5 1 DHBF COc1c(F)ccc(F)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587133521 ZATWNBBZKCGRMI-UHFFFAOYSA-N 323.230 3.564 5 1 DHBF O=[N+]([O-])c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587780759 HQIMISKAYJRSEQ-QPJJXVBHSA-N 309.325 3.701 5 1 DHBF Cc1nc(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1ccccc12 13216497 WOZYONMVXACFMM-UHFFFAOYSA-N 304.309 3.766 5 1 DHBF O=[N+]([O-])c1cc(/C=C\c2nc3cccnc3[nH]2)ccc1Cl 587048589 XNKFJNFXVUSTDJ-XQRVVYSFSA-N 300.705 3.690 5 1 DHBF Nc1cnc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)nc1 587252785 MLWRQWWGFOSURQ-UHFFFAOYSA-N 311.348 3.909 5 1 DHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])o1)CC2=O 587471233 OZIPVTGOIOOVFV-AWEZNQCLSA-N 317.297 3.552 5 1 DHBF COc1cc2c3c(ccc4cc(O)c(OC)c(c43)[C@@H](OC)O2)c1 14651143 AANWCNXTRFBCBP-SFHVURJKSA-N 312.321 3.753 5 1 DHBF biogenic Cc1cc(Cl)cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267173 GFWODMAUBIFJRM-VIFPVBQESA-N 319.752 3.547 5 1 DHBF CC(C)[C@](C)(O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586889978 OOJLFIYXTVDMDF-SFHVURJKSA-N 306.369 3.523 5 1 DHBF Cc1cnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 587139595 LCHLYZYHHQBMDU-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n(C(C)C)n1 587279752 QUVRMHUBCFQPBG-UHFFFAOYSA-N 313.313 3.658 5 1 DHBF O=[N+]([O-])c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896716 VVHYCMHVSASMQD-UHFFFAOYSA-N 311.341 3.742 5 1 DHBF Cc1cc(C)c(N[S@](=O)c2cccc([N+](=O)[O-])c2)c(C)c1 5846708 WXIPTMNGQMLYBN-NRFANRHFSA-N 304.371 3.655 5 1 DHBF O=c1nc(C2CCC2)n(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 27653043 VTOXJACGRQQXDG-UHFFFAOYSA-N 321.336 3.561 5 1 DHBF CC[C@H]1C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CCO 13459039 RIPWQEMCHVZIRA-LOJNQUQBSA-N 314.429 3.508 5 1 DHBF COc1c(C)cc(OC)c2c(=O)c3c(O)c(Cl)ccc3oc12 13386761 WALGTXKIVNMFQE-UHFFFAOYSA-N 320.728 3.631 5 1 DHBF biogenic O=[N+]([O-])c1ccc(O[C@@H](c2ccccc2)C2CCNCC2)cc1 13530869 MMHUEYFGJWFVND-SFHVURJKSA-N 312.369 3.715 5 1 DHBF C[C@]1(c2ccc(Cl)cc2)ON=C(c2ccc([N+](=O)[O-])s2)O1 49088097 OJOSTBXSTXUZNM-CYBMUJFWSA-N 324.745 3.891 5 1 DHBF O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100483552 PPQDRUFGIBEALX-AGCBMJJTSA-N 315.369 3.908 5 1 DHBF CC(C)=CC(=O)OCc1cc(=O)oc2cc3ccccc3cc12 26399484 VAPGNVYUDKQDIM-UHFFFAOYSA-N 308.333 3.956 5 1 DHBF CCSc1nc(C)nc2c1sc1nc3ccccc3n12 13218795 YCGGIQJFQUBNCZ-UHFFFAOYSA-N 300.412 3.913 5 1 DHBF Cc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc1 103242895 NFLXUXINUKAFIJ-UHFFFAOYSA-N 311.297 3.826 5 1 DHBF C[C@@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O 17047148 WNYWRAYXFFPPGN-LSIMKLPESA-N 315.369 3.726 5 1 DHBF O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)c(F)c1 40865495 AZPVXOCLQOADRN-DOMZBBRYSA-N 319.336 3.568 5 1 DHBF O=[N+]([O-])c1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Cl 587023676 SZZGPSYXSOPYJV-UHFFFAOYSA-N 315.141 3.901 5 1 DHBF COC(=O)c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645675 HONJGPBJUCPSNZ-UHFFFAOYSA-N 314.272 3.669 5 1 DHBF NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)OCS2 40863563 TWEAHXLHBWIDGZ-UHFFFAOYSA-N 321.405 3.813 5 1 DHBF O=C(c1ccco1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645049 ISWJQGQJRBPHQK-UHFFFAOYSA-N 324.214 3.919 5 1 DHBF COC(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587646116 TZYGAVUIWDUAGC-UHFFFAOYSA-N 314.272 3.669 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](C)NC(=O)OC(C)(C)C 587647331 WCQZNQAHSUJFQT-JTQLQIEISA-N 319.361 3.970 5 1 DHBF O=[N+]([O-])c1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cs1 963104471 UNIGFVMCNWITSN-CZUORRHYSA-N 318.373 3.905 5 1 DHBF Cc1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1[N+](=O)[O-] 587089704 GRIWCELERDOHNN-SECBINFHSA-N 311.622 3.703 5 1 DHBF CCOC(=O)c1cc2c(ccc3c4ccccc4[nH]c23)oc1=O 96910328 AYVGGVRTODEMSB-UHFFFAOYSA-N 307.305 3.604 5 1 DHBF Cc1cc(F)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 587150107 ZHHAYHQONUUDIT-UHFFFAOYSA-N 319.267 3.637 5 1 DHBF O=[N+]([O-])c1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1F 587140135 CNTVMNRVEBVYOA-UHFFFAOYSA-N 307.281 3.705 5 1 DHBF COc1ccc([C@@H](Cc2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1 28242185 FMEDYFIQUNILSC-GOSISDBHSA-N 323.352 3.632 5 1 DHBF COc1cccc([C@@H](C)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587932816 VXPJDXBXLFQJRC-NSHDSACASA-N 311.341 3.826 5 1 DHBF c1cc(-c2nc[nH]n2)c2nc(NC3CCC3)c3ccncc3c2c1 73157691 PFFNHXNHPCGMCF-UHFFFAOYSA-N 316.368 3.533 5 1 DHBF Cc1c(C(C)(C)O)[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc12 28818436 VYEAUZQURVGCFO-UHFFFAOYSA-N 302.252 3.631 5 1 DHBF CC(C)Oc1ccc2ccc3ccc(C(=O)O)cc3c(=O)c2c1 169347795 LQBSFZYOKWDZFT-UHFFFAOYSA-N 308.333 3.839 5 1 DHBF CNC(=O)c1ccc2c(=O)c3cc(C(C)C)ccc3sc2c1 13606003 FZSXMZZNBYMROV-UHFFFAOYSA-N 311.406 3.898 5 1 DHBF COc1cc2c3c(ccc4cc(OC(C)=O)c(OC)c(c43)CO2)c1 238763093 SUUYTEKKENYZGG-UHFFFAOYSA-N 324.332 3.828 5 1 DHBF O=c1ccn(-c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc12 230566924 WXWXZUKSYSAKMV-UHFFFAOYSA-N 318.691 3.691 5 1 DHBF CC(C)(CO)[C@@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586901611 UHOLCGGIOPIEKA-SFHVURJKSA-N 320.392 3.921 5 1 DHBF O=[N+]([O-])c1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cs1 963104468 UNIGFVMCNWITSN-BBRMVZONSA-N 318.373 3.905 5 1 DHBF C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101767231 BOQHEVYQIXGRBL-ICUOPCATSA-N 322.792 3.803 5 1 DHBF COc1ccc2oc3nc4ccccc4c-3c(NCCCO)c2c1 95574748 XTUNKBYZOHHQQO-UHFFFAOYSA-N 322.364 3.889 5 1 DHBF O=[N+]([O-])c1cnc2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587027699 GPGNQFHXXBTKNQ-UHFFFAOYSA-N 323.337 3.657 5 1 DHBF Nc1nc2c(s1)Cc1cc(-c3ccccc3[N+](=O)[O-])ccc1-2 13671311 RTVVQJNVKKUYRM-UHFFFAOYSA-N 309.350 3.872 5 1 DHBF O=[N+]([O-])c1cccc(-c2cc(NCCc3ccccc3)ncn2)c1 82160372 SFORVPXTNSKNNF-UHFFFAOYSA-N 320.352 3.706 5 1 DHBF CC(=O)O[C@@H]1CCCC[C@H]1[N+]1(C)CCC(c2ccccc2)CC1 28239574 FWAOTPDCPOLQQM-JWFWCLOMSA-N 316.465 3.885 5 1 DHBF Cc1ccccc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587646911 MXEAJYIDRHQZPM-UHFFFAOYSA-N 309.325 3.945 5 1 DHBF C[C@]12CC[C@@H]3c4c(cccc4[N+](=O)[O-])CC[C@H]3[C@@H]1CC[C@@H]2O 13606465 UGJLDCXELXAGLS-PEEYHIECSA-N 301.386 3.812 5 1 DHBF O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645558 CFNJONOHMYLUIV-UHFFFAOYSA-N 314.272 3.509 5 1 DHBF O=C1C[C@H](c2ccc([N+](=O)[O-])cn2)Oc2c1ccc1c2CCCC1 587511863 JXWPRCBJDXVNJB-QGZVFWFLSA-N 324.336 3.575 5 1 DHBF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587951915 JTECAWUOPKVJIQ-JKOKRWQUSA-N 318.377 3.913 5 1 DHBF COc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1C 587160193 LGKCGDKWAZHCQR-UHFFFAOYSA-N 301.277 3.594 5 1 DHBF COc1ccc(Oc2cc(O)nc3c([N+](=O)[O-])cccc23)cc1 299871726 ZCFWLCSMKCPHFH-UHFFFAOYSA-N 312.281 3.650 5 1 DHBF Cc1oc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 587269646 XQOLJZZUCAGQBL-UHFFFAOYSA-N 322.664 3.601 5 1 DHBF Cn1c2nc3ccccc3c-2c(N2CCOCC2)c2ccccc21 102995688 YKEOLQOYPYUERT-UHFFFAOYSA-N 317.392 3.668 5 1 DHBF Cc1ccc(SCc2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1 586965135 QUSFZSKWTKLFAL-UHFFFAOYSA-N 314.370 3.775 5 1 DHBF O=[N+]([O-])c1cnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023336 IYZYMYDFDVBOJP-UHFFFAOYSA-N 323.337 3.657 5 1 DHBF CC(C)=CCc1cc(O)c2oc3cccc(O)c3c(=O)c2c1O 14819775 ZXAITARLYXDVLJ-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic,in-vitro CCCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45340399 JUDBHAHZZZIVPA-UHFFFAOYSA-N 315.329 3.897 5 1 DHBF O=[N+]([O-])c1cc2nc(CCc3cccc(O)c3)[nH]c2cc1Cl 586896632 GDPKWDPAZBNUFO-UHFFFAOYSA-N 317.732 3.615 5 1 DHBF CSc1ccc2c3ccnc4c(SC)cc(=O)n(c2c1)c43 2356658357 OZQSTJALGHHVKK-UHFFFAOYSA-N 312.419 3.883 5 1 DHBF COc1cc2ccc3c4ccc(=O)cc-4[nH]cc3c2cc1OC 200158178 JSNUCFRZLKIEOU-UHFFFAOYSA-N 305.333 3.803 5 1 DHBF in-vivo COc1cc2c(c(O)c1CC=C(C)C)c(=O)c1ccccc1n2C 15114960 NPZJMGOGRUHTIS-UHFFFAOYSA-N 323.392 3.915 5 1 DHBF biogenic Cc1ccc(CNC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1 587647385 XTPBUFXIQJKDQM-UHFFFAOYSA-N 323.352 3.623 5 1 DHBF O=[N+]([O-])c1c(NCc2cc(F)cc(Cl)c2)ccc2nonc12 95598138 SGBMAWKSJNORTD-UHFFFAOYSA-N 322.683 3.536 5 1 DHBF C[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276044 IEWTUCDBODYEJX-SNVBAGLBSA-N 313.361 3.574 5 1 DHBF Cc1cc2c(cc1F)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)NCC2 962095093 UZPKWPYAUQNTTD-INIZCTEOSA-N 320.751 3.931 5 1 DHBF Cc1cc([C@H]2C[C@@H](C)C(=O)O2)c2c(=O)c3c(O)cccc3oc2c1 2356326219 VXROYXNAGKBDKJ-QMTHXVAHSA-N 324.332 3.584 5 1 DHBF COc1cc2cnc3c4cc5c(cc4ccc3c2cc1O)OCO5 238735476 ZCMNYBNYFRAPIS-UHFFFAOYSA-N 319.316 3.984 5 1 DHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(Cl)c2[nH]1 587158750 HJXYSTVRJWBPIS-UHFFFAOYSA-N 321.695 3.843 5 1 DHBF O=[N+]([O-])c1c(F)cccc1-n1nc2cc1Oc1ccc(F)cc1-2 587874281 SSLKWUBQBTZEBT-UHFFFAOYSA-N 315.235 3.831 5 1 DHBF COc1cc2c(ccc3cc(OC)c(OC)c(OC)c32)cc1O 14650734 LPCCNSGUTPIMPZ-UHFFFAOYSA-N 314.337 3.733 5 1 DHBF biogenic CC[N+]1(C)CC[C@@H](OC(=O)[C@@H](c2ccccc2)C2CCCC2)C1 5688404 ALFZXSYVXNSOBR-QSJYAPKHSA-N 316.465 3.742 5 1 DHBF in-man Cc1cnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047812 NXVZVCKHBDWLMF-HYXAFXHYSA-N 314.732 3.998 5 1 DHBF Cc1c(F)ccc2c1[C@H](c1c(F)cc(F)cc1[N+](=O)[O-])NCC2 962373653 IQKRGZYGTAVCSF-MRXNPFEDSA-N 322.286 3.556 5 1 DHBF O=C(O)c1cc(C(=O)O)c2c(ccc3cc4ccccc4cc32)n1 103261085 FOGUIYQWQPHTFR-UHFFFAOYSA-N 317.300 3.938 5 1 DHBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587933293 VVKFTQXJLWCDBB-KZULUSFZSA-N 323.352 3.925 5 1 DHBF Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1 1772648568 DPMCPGABBOYWTR-UHFFFAOYSA-N 322.324 3.809 5 1 DHBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3cccs3)nc12 1857589018 YILPKQKQPMVTJC-ONEGZZNKSA-N 305.340 3.537 5 1 DHBF Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1Cl 26285846 YFSIGVQGJQHZEI-UHFFFAOYSA-N 302.713 3.535 5 1 DHBF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586886347 FKAMMWZWZONUOF-ZBEGNZNMSA-N 311.341 3.617 5 1 DHBF O=[N+]([O-])c1cc(/C=C/c2nc3cccnc3[nH]2)ccc1Cl 587048588 XNKFJNFXVUSTDJ-GQCTYLIASA-N 300.705 3.690 5 1 DHBF CC[C@@H]1CCCCN1C(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587648310 CCBKXSKLNGHINP-GFCCVEGCSA-N 315.373 3.789 5 1 DHBF CCOc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1C 587779228 ZFJAWCUDJBKQRZ-UHFFFAOYSA-N 315.304 3.984 5 1 DHBF O=c1oc2c(Cl)c(O)ccc2c2cc(F)c(O)c(Cl)c12 28571346 IXYSLEXWSXUKCP-UHFFFAOYSA-N 315.083 3.803 5 1 DHBF CCCC(=O)Nc1n[nH]c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12 49793088 LBEIKJLOCIYZFH-UHFFFAOYSA-N 324.340 3.877 5 1 DHBF CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)CCO2 1772604028 ZOWQSLKRYXYHSP-GQCTYLIASA-N 324.380 3.675 5 1 DHBF CC[C@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586914496 WAHQVSJBVCYUKI-ISVAXAHUSA-N 309.753 3.797 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)C(F)(F)F 587645510 XLUUYCMIPZZFJW-UHFFFAOYSA-N 322.189 3.765 5 1 DHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3ccccc3cc2[nH]1 587267335 IVNHLDCXVPXFNL-NSHDSACASA-N 321.340 3.739 5 1 DHBF CN(C)Cc1c(-c2ccc(O)cc2)[nH]c2cccc([N+](=O)[O-])c12 587647096 PUPJJMNBPMEZLT-UHFFFAOYSA-N 311.341 3.510 5 1 DHBF Cc1cc(F)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 587158418 DYPVOLKOCOHOEJ-UHFFFAOYSA-N 319.267 3.637 5 1 DHBF C[N+](C)(C)Cc1cn(Cc2ccc3c(c2)OCO3)c2ccccc12 103300516 GTNRZJMFCIFCRI-UHFFFAOYSA-N 323.416 3.625 5 1 DHBF CCOc1ccc(C(=O)CN2[CH]C(C)=CC(C)=C2)cc1[N+](=O)[O-] 2356835788 BITZRUYKQUJJGG-UHFFFAOYSA-N 315.349 3.504 5 1 DHBF CCCCCCOc1ccc(C(=O)CCN(C)C)cc1[N+](=O)[O-] 42920308 SQAQWRILRQJLJZ-UHFFFAOYSA-N 322.405 3.688 5 1 DHBF Cc1ccnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048667 YBQMRRGSUZTPRP-HWKANZROSA-N 314.732 3.998 5 1 DHBF O=[N+]([O-])c1cccc(COc2ccc(CN3CCCC3)cc2)c1 61936346 PKKRXGIVDFRZPK-UHFFFAOYSA-N 312.369 3.770 5 3 DHBF Cc1c(Cl)ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267497 LEPFFBSAOXMDOB-VIFPVBQESA-N 319.752 3.547 5 1 DHBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587196404 UMIJTNLZFZZUDZ-NSHDSACASA-N 310.357 3.689 5 1 DHBF C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 1911574903 CTLCSFGCIVNYGV-HSALFYBXSA-N 312.433 3.591 5 1 DHBF Cc1cc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2cc1[N+](=O)[O-] 587175274 XDSDWPAIAHQVLT-OAHLLOKOSA-N 313.288 3.595 5 1 DHBF CCc1ccccc1NC(=O)c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1 587241025 OCORRUDYOYXENE-UHFFFAOYSA-N 324.340 3.594 5 1 DHBF COc1ccc2[nH]c3c4c(OC)cncc4cc(C#N)c3c2c1 217045226 VTDMTVMKVZXVSP-UHFFFAOYSA-N 303.321 3.758 5 1 DHBF Cc1nc(C2CC2)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587011649 IUHXQSKVNGQZMJ-UHFFFAOYSA-N 300.343 3.780 5 1 DHBF Cc1cc2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2cc1[N+](=O)[O-] 587088049 IFFYPQJDAMJUCM-VIFPVBQESA-N 322.315 3.529 5 1 DHBF Cc1nn(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c(C)c1[N+](=O)[O-] 587631798 UYDDSRPFSANDFY-UHFFFAOYSA-N 322.727 3.980 5 1 DHBF C[C@H](Oc1ccc(F)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587168951 OMPZYEZVFWTDIZ-VIFPVBQESA-N 301.277 3.750 5 1 DHBF O=c1c2ccccc2n(Cc2ccccc2)c2cc(O)cc(O)c12 64235635 XPLMCRRAROJVHT-UHFFFAOYSA-N 317.344 3.614 5 1 DHBF Cc1oc(-c2nc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] 587268508 BARYPHGCCSEYRH-UHFFFAOYSA-N 322.118 3.802 5 1 DHBF COc1ccccc1C=Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-] 2356861023 CQZDAEMVWHEBKV-UHFFFAOYSA-N 314.297 3.990 5 1 DHBF O=[N+]([O-])c1cccc2nc(CSCc3ccsc3)[nH]c12 587026875 ZYFYJMJSSNPTIW-UHFFFAOYSA-N 305.384 3.966 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCC[C@H]23)cc1C(F)(F)F 95579509 QQYJFVLDNICSNC-JOYOIKCWSA-N 314.263 3.907 5 1 DHBF Cc1c2cc[n+](C[S@@](C)=O)cc2c(C)c2c1[nH]c1ccccc12 26279744 SQRVRHCEKFOVLU-QHCPKHFHSA-O 323.441 3.715 5 1 DHBF C[C@@H](Cc1ccccc1)OC(=S)Nc1ccc([N+](=O)[O-])cc1 45496945 IJUOCKUFSXVMCN-LBPRGKRZSA-N 316.382 3.939 5 1 DHBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 238771156 PRGKEDSKPDIDRJ-HSZFPFIUSA-N 323.460 3.823 5 1 DHBF C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2CC[C@@H]1C2 102752607 YEEYJVYBTJKOSN-ACAVVTGDSA-N 314.385 3.549 5 1 DHBF CC(C)[C@](C)(O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586886323 FSDVHMWRWUTTTD-SFHVURJKSA-N 306.369 3.523 5 1 DHBF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586888218 JGRPTWMELUDGMO-BZNIZROVSA-N 311.341 3.617 5 1 DHBF CCCc1cc(=O)c2c(OC)c3c(OC)cc(O)cc3cc2o1 14612802 HGKHNHJGMPKQEN-UHFFFAOYSA-N 314.337 3.622 5 1 DHBF biogenic Cc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1 103242893 KSHIQEBEFHYDQY-UHFFFAOYSA-N 311.297 3.826 5 1 DHBF CCO[P@](=O)(NCC(C)C)Oc1cc(C)ccc1[N+](=O)[O-] 72124323 CBXFYWHXFBFECS-OAQYLSRUSA-N 316.294 3.672 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3cnc4ccccc4c3[nH]2)c1 587270986 ZXJVLNHOEDYICW-UHFFFAOYSA-N 318.336 3.805 5 1 DHBF CN1C(=O)c2c(c3c4ccccc4[nH]c3c3ccccc23)C1=O 13679821 WGGWPASYKMPMMT-UHFFFAOYSA-N 300.317 3.700 5 1 DHBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccncc1[N+](=O)[O-] 963240544 KKKQPJSSEKEXMF-UGSOOPFHSA-N 311.385 3.736 5 1 DHBF O=[N+]([O-])c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587084426 MGCPNVZRSLZRIE-UHFFFAOYSA-N 314.732 3.599 5 1 DHBF O=[N+]([O-])c1cc2oc(COc3ccccc3)nc2cc1Cl 1659655 CUDOZWOWVPDPCV-UHFFFAOYSA-N 304.689 3.968 5 1 DHBF O=[N+]([O-])c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115148 FVGULNHFFZSQRV-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1COc2ccccc21 587280517 YSEWHSWYKJBXIT-ZDUSSCGKSA-N 309.277 3.700 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1Cc2ccccc2C1=O 587648879 NMOCFDYWBJVMKW-UHFFFAOYSA-N 307.309 3.545 5 1 DHBF CCn1c2nc(-c3ccccc3)nc(=O)c-2cc2ccccc21 28642368 OJCCBHSBWUYJBL-UHFFFAOYSA-N 301.349 3.583 5 1 DHBF Cc1nc(C2CC2)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587012067 MVDQTDGVHAXPKN-UHFFFAOYSA-N 300.343 3.780 5 1 DHBF COc1cc2c(cc1C)c(OC)cc1cc(C)c(=O)c(OC)cc12 49785111 GBUYBLVESLNEQP-UHFFFAOYSA-N 324.376 3.996 5 1 DHBF CN(C)Cc1c(-c2ccc(O)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587647089 PMFPZMGYVAUCQP-UHFFFAOYSA-N 311.341 3.510 5 1 DHBF O=[N+]([O-])c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1F 587959748 HGPHDSZVWHYIOB-RYUDHWBXSA-N 311.316 3.956 5 1 DHBF Cc1cc(C)cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 45393340 CFXNRBYYOQPMJG-UHFFFAOYSA-N 301.302 3.561 5 1 DHBF CCCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 95575337 SUAAMFVRIPFVMW-UHFFFAOYSA-N 311.341 3.782 5 1 DHBF CC[C@@]12CCC[N@+]([O-])(CC[C@]3(O)C(=Nc4ccccc43)CC1)C2 257405860 DJKWUXVCQNIASK-SBHAEUEKSA-N 314.429 3.649 5 1 DHBF endogenous,in-man CC[C@H]1CCCCN1C(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587649032 OCWZDKYTHSENGO-LBPRGKRZSA-N 315.373 3.789 5 1 DHBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130342 IFDPHLZYZBMRCO-UHFFFAOYSA-N 305.240 3.740 5 1 DHBF Cc1nc(C)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)s1 587279797 AZLYQQRZFGFAEB-UHFFFAOYSA-N 302.311 3.645 5 1 DHBF Cc1oc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1[N+](=O)[O-] 587269707 ZGDJXFQJQSADIS-UHFFFAOYSA-N 300.318 3.732 5 1 DHBF O=[N+]([O-])c1ccc(NC(=S)OCCc2ccccc2)cc1 40979103 HKANSWPJKDLHCX-UHFFFAOYSA-N 302.355 3.551 5 1 DHBF Cc1cc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587115603 REBLEOVUGSMTEN-UHFFFAOYSA-N 322.246 3.860 5 1 DHBF CCNC(=O)CCc1nc2c3ccccc3c3ccccc3c2[nH]1 587231103 RSNIHXFQZXDWME-UHFFFAOYSA-N 317.392 3.938 5 1 DHBF Cc1cccc(CC(=O)O)c1Oc1c(Cl)cccc1[N+](=O)[O-] 26389957 SAWSPITWGVOPOI-UHFFFAOYSA-N 321.716 3.976 5 1 DHBF O=[N+]([O-])c1c(Nc2cccc(F)c2Cl)ccc2nonc12 95595843 WUYSFHIUXHCGEG-UHFFFAOYSA-N 308.656 3.667 5 1 DHBF CC[C@@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586914497 WAHQVSJBVCYUKI-OQPBUACISA-N 309.753 3.797 5 1 DHBF CC[C@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818404 FRNQRVIVJSZVSN-LBPRGKRZSA-N 302.252 3.712 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3ccc(F)c(F)c3[nH]2)c1 587269847 HPECKZGCZGSBHQ-UHFFFAOYSA-N 303.268 3.535 5 1 DHBF CCc1c(C)[nH]c(=O)c([N+](=O)[O-])c1Oc1cc(C)cc(C)c1 27431850 ZDTUOEWZOMNULL-UHFFFAOYSA-N 302.330 3.563 5 1 DHBF CC(C)=CCOc1cc(O)cc2c1c(=O)c1ccccc1n2C 35261410 PQSBFWPJCIZBKR-UHFFFAOYSA-N 309.365 3.742 5 1 DHBF COc1ccc2ccc3c(CCN(C)C)cc4c(c3c2c1)OCO4 34182554 JBBULFIGNJPOKU-UHFFFAOYSA-N 323.392 3.834 5 1 DHBF Cc1c(F)ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158743 HDRLALHIQPXZDJ-UHFFFAOYSA-N 319.267 3.637 5 1 DHBF Cc1cc(C)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 587148896 MDCBOHQRXJZQDB-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF COc1ccc2c(c1)C[C@@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)CC2 587946996 PRMDHARYWUSNHK-LBPRGKRZSA-N 323.352 3.752 5 1 DHBF O=[N+]([O-])c1cnccc1N1c2cccnc2Sc2cccnc21 1857745618 SOLRLRJQQXOMEJ-UHFFFAOYSA-N 323.337 3.714 5 1 DHBF O=[N+]([O-])c1ccc(O)c(F)c1Cc1cc2c3c(cccc3n1)CC2 587210936 ZPOMVRITBIPWSR-UHFFFAOYSA-N 324.311 3.677 5 1 DHBF O=C(NC1CCCCC1)OCCCCc1ccc([N+](=O)[O-])cc1 59895188 UTNINXYKTXZOBE-UHFFFAOYSA-N 320.389 3.976 5 1 DHBF COc1cc(Cl)ccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587066052 FVYLUHTUHKTAMJ-UHFFFAOYSA-N 303.705 3.800 5 1 DHBF O=[N+]([O-])c1cccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587109489 WAELOBIBZCSCRB-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1F 587646258 YMODWBTWPMBOAE-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF O=[N+]([O-])c1c(O)nc2c(Cl)c(Cl)c(Cl)cc2c1O 29391103 MDQMRGQLWLSOKM-UHFFFAOYSA-N 309.492 3.514 5 1 DHBF Nc1ccc2oc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2c1 587252009 QEWULSLTOTWGDN-UHFFFAOYSA-N 312.260 3.606 5 1 DHBF COc1cccc(F)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280071 IGNGMSPNTGCBRD-UHFFFAOYSA-N 315.256 3.720 5 1 DHBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccc(O)cc4)o3)oc2c1 1857543278 XKBGFXOVFNATEG-UHFFFAOYSA-N 323.264 3.764 5 1 DHBF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587951918 JTECAWUOPKVJIQ-SUHUHFCYSA-N 318.377 3.913 5 1 DHBF O=C(c1ccco1)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646548 UHHDVXGWVHEABZ-UHFFFAOYSA-N 306.224 3.838 5 1 DHBF CC(=O)O[C@H]1CCCC[C@H]1[N+]1(C)CCC(c2ccccc2)CC1 28239580 FWAOTPDCPOLQQM-YZDRJCRTSA-N 316.465 3.885 5 1 DHBF CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)CCO2 1772618300 JYISYAVRXNDLST-HWKANZROSA-N 324.380 3.675 5 1 DHBF COc1ccc2oc3c(C)cc4c(OC)nnc(OC)c4c3c2c1 5853461 BIEPOJPCAWLHPE-UHFFFAOYSA-N 324.336 3.863 5 1 DHBF Cc1ccc2nn(CCN(C)C)c3c4ccncc4sc1c23 26828747 HACKWEGJWIOMDZ-UHFFFAOYSA-N 310.426 3.669 5 1 DHBF COc1cc2c(cnc3c4cc(OC)c(O)cc4ccc23)cc1O 40940170 MLAAZPUHEZJGNW-UHFFFAOYSA-N 321.332 3.970 5 1 DHBF Nc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1F 587139795 WXEAKMAZFRCOMX-UHFFFAOYSA-N 306.684 3.513 5 1 DHBF Cc1cc2[nH]c([C@@H](O)c3ccccc3Cl)nc2cc1[N+](=O)[O-] 587060050 ZNCVYSPTBVYJAX-AWEZNQCLSA-N 317.732 3.515 5 1 DHBF O=[N+]([O-])[C@@H]1CCCC[C@]12NCCc1cccc(-c3ccccc3)c12 962671328 XDYKDFZMKSZCDF-QUCCMNQESA-N 322.408 3.914 5 1 DHBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3cccc(F)c3)nc12 1857610791 YEWFTBOQIRROFF-SNAWJCMRSA-N 317.301 3.615 5 1 DHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])o1)CC2=O 587471236 OZIPVTGOIOOVFV-CQSZACIVSA-N 317.297 3.552 5 1 DHBF CC(=O)Oc1cccc2c1ccc1c3occ(C)c3c(=O)oc21 45393979 TYDOYKJNAUHRBW-UHFFFAOYSA-N 308.289 3.926 5 1 DHBF Cc1ccc2ccccc2c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586883023 FHVGBMUZJVTDFH-UHFFFAOYSA-N 304.309 3.995 5 1 DHBF CCN(CC)CCCn1c2ccccc2c(=O)c2ccccc21 40950471 KHFAFXFRTUHQNO-UHFFFAOYSA-N 308.425 3.887 5 1 DHBF Cc1cc([N+](=O)[O-])cc(C)c1OC[C@@H]1CCCN2CCCC[C@H]12 35090964 XBEJLDNYKPUPTI-DOTOQJQBSA-N 318.417 3.855 5 1 DHBF CC(C)=CCc1ccc(O)c2c(=O)c3c(O)ccc(O)c3oc12 95485921 YKEDQEXCTYPOQM-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic,in-vitro Cc1onc(-c2ccccc2)c1COc1ccc([N+](=O)[O-])cn1 143243537 XGRIGCFCUJUCLL-UHFFFAOYSA-N 311.297 3.532 5 1 DHBF O=c1ccc2ccc3oc4ccc5ccc(=O)oc5c4c3c2o1 15262417 RTKDWTJWIRQBBN-UHFFFAOYSA-N 304.257 3.799 5 1 DHBF biogenic O=[N+]([O-])[C@H]1CCCC[C@]12NCCc1cccc(-c3ccccc3)c12 962671323 XDYKDFZMKSZCDF-ICSRJNTNSA-N 322.408 3.914 5 1 DHBF O=c1cc(-c2ccccc2Cl)oc2c([N+](=O)[O-])ccc(O)c12 13813305 DYRWLTWOHBGMGT-UHFFFAOYSA-N 317.684 3.727 5 1 DHBF C=Cc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586880929 INERMNUCPVNOKW-UHFFFAOYSA-N 310.269 3.689 5 1 DHBF O=[N+]([O-])c1ccc2c(-c3cnccn3)c(C(F)(F)F)[nH]c2c1 587645303 PBELNAOCYTVMFB-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF N=C(N)c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 653697633 BSUFWDKMSARFRJ-UHFFFAOYSA-N 307.309 3.806 5 1 DHBF CC1(C)C=Cc2cc(O)c3c(=O)c4cccc(O)c4oc3c2O1 13485103 FPDAJKRMMGCXCC-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF endogenous,in-man COc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1C 587269984 KIDBITKBWJLZFW-UHFFFAOYSA-N 311.341 3.573 5 1 DHBF CN(C)CCc1cc2c(c3c1ccc1c(O)cccc13)OCO2 14715584 XBJZSJZSSWUKLZ-UHFFFAOYSA-N 309.365 3.531 5 1 DHBF biogenic Cc1[nH]c2ccc(F)c(Cl)c2c1-n1nc([N+](=O)[O-])cc1C 587630812 DELZHUXBDPGLMA-UHFFFAOYSA-N 308.700 3.671 5 1 DHBF C[C@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587168586 IZQHJXMXFIIEBY-QMMMGPOBSA-N 319.267 3.889 5 1 DHBF Cc1oc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268557 DLXFDTYVTHDTFB-UHFFFAOYSA-N 313.100 3.741 5 1 DHBF CCOc1cc2c(=O)oc3c(OC)ccc4ccc(c1OC)c2c43 1611794 LFEYOTRCBIPGDM-UHFFFAOYSA-N 324.332 3.953 5 1 DHBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-n3ccnc3)c12 587647078 DVCRVPDRQSLUDG-UHFFFAOYSA-N 304.309 3.929 5 1 DHBF O=C(O)C(=O)CC(=O)c1ccc2ccc3cccc4ccc1c2c34 28645822 ZXYDBRLYEJKZGT-UHFFFAOYSA-N 316.312 3.811 5 1 DHBF O=c1oc(OCc2ccccc2)nc2cc3ccccc3cc12 1857642665 OEQDIJIPKSDRBO-UHFFFAOYSA-N 303.317 3.920 5 1 DHBF Cc1nc(C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587011288 FQANZBMIZTVHCA-UHFFFAOYSA-N 318.333 3.920 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Cl)cc3[nH]2)c1 587270713 RANOOPIMFHNYCG-UHFFFAOYSA-N 301.733 3.910 5 1 DHBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586886346 FKAMMWZWZONUOF-MEDUHNTESA-N 311.341 3.617 5 1 DHBF O=C(COCc1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 587279945 VNXCUBTZNPLQKA-UHFFFAOYSA-N 311.293 3.741 5 1 DHBF CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 63298580 XUGXUDSTKPTWNB-UHFFFAOYSA-N 318.380 3.793 5 1 DHBF O=[N+]([O-])[C@@H]1CCCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962671332 XDYKDFZMKSZCDF-UYAOXDASSA-N 322.408 3.914 5 1 DHBF CCCN1[C@H](c2ccc([N+](=O)[O-])cn2)c2ccccc2C[C@H]1C 963229576 NUPVJEVQMWTHSL-ACJLOTCBSA-N 311.385 3.736 5 1 DHBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587929912 BHCDOWDHFPZCIZ-ACJLOTCBSA-N 323.352 3.925 5 1 DHBF Cc1cc2nc(C(=O)CCc3ccccc3)[nH]c2cc1[N+](=O)[O-] 587954549 ZQTNFLSPFWIZCD-UHFFFAOYSA-N 309.325 3.595 5 1 DHBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccncc1[N+](=O)[O-] 963240543 KKKQPJSSEKEXMF-SCLBCKFNSA-N 311.385 3.736 5 1 DHBF O=c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc3[nH]ccc3c12 28569988 USVRRCZREISWAA-UHFFFAOYSA-N 305.293 3.585 5 1 DHBF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(c1ccccc1)CC[N+]2(C)C 169324890 VTKBPVRIFVCHIU-IWMITWMQSA-O 308.445 3.719 5 1 DHBF O=C(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(F)cc1 587645783 JZUAVXQVJYORDR-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF CC(C)(Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279397 IWLAZDHKZSTNLJ-UHFFFAOYSA-N 312.119 3.697 5 1 DHBF CC(C)[N+](C)(C)C[C@H](O)COc1ccccc1C1CCCCC1 38192513 JCSHTRLNTUPPOJ-SFHVURJKSA-N 320.497 3.959 5 1 DHBF Cc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cccc1[N+](=O)[O-] 587261073 RWGWYPRHDBOOJK-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF COc1ccc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 103300945 PPLNMTFNEBUKKS-UHFFFAOYSA-N 322.324 3.804 5 1 DHBF O=C(Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 587211948 ZTXFPPGECWAJQB-UHFFFAOYSA-N 318.332 3.667 5 1 DHBF COC(=O)c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645481 BPMVLGAPLJTFRV-UHFFFAOYSA-N 314.272 3.669 5 1 DHBF O=[N+]([O-])c1ccc(-c2cn3cccnc3[n+]2C2CCCCC2)cc1 66113440 ODDPLYVTZXXMRR-UHFFFAOYSA-N 323.376 3.702 5 1 DHBF O=[N+]([O-])c1ccc(O[C@@H](Cn2ccnc2)c2ccccc2)cc1 49802580 XRAODPKCDUBYDU-KRWDZBQOSA-N 309.325 3.612 5 1 DHBF O=[N+]([O-])c1ccc(C2=NN[C@H](c3cccc(Cl)c3)C2)cc1 98082713 KDZWBFNKBLFWOE-HNNXBMFYSA-N 301.733 3.687 5 1 DHBF C[C@@H](/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12)c1ccccc1 101606510 DCHAWRHERAYZRC-FOTIKMNESA-N 310.309 3.709 5 1 DHBF Cc1cncc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139341 HSGGFWDREOVNHH-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF O=[N+]([O-])c1ccc2nc(COc3ccc(Cl)cc3)oc2c1 28815593 DIHNASKOHFAOLF-UHFFFAOYSA-N 304.689 3.968 5 1 DHBF C[C@@]1(c2ccc(Cl)cc2)ON=C(c2ccc([N+](=O)[O-])s2)O1 49088096 OJOSTBXSTXUZNM-ZDUSSCGKSA-N 324.745 3.891 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C)c1[N+](=O)[O-])O2 587391776 YSSJCSRTHWTCOC-OAHLLOKOSA-N 312.325 3.500 5 1 DHBF O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2356809518 VMTGPBWVKSSJTB-UHFFFAOYSA-N 315.241 3.582 5 1 DHBF Cc1ccc(C2=NC(C)(C)[N@@]3[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]23)cc1 1857623360 YATCIHIUWARHCF-WFXMLNOXSA-N 321.380 3.868 5 1 DHBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1ncc[nH]1 27861674 WXKNUFXBBNOMTM-UHFFFAOYSA-N 313.316 3.517 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(F)cc1 587645572 DAJBXOBSOVRNIG-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF O=[N+]([O-])c1ccc2c(Nc3cccc(Cl)c3)ncnc2c1 3815393 PFCDJDCJBTXAJZ-UHFFFAOYSA-N 300.705 3.935 5 1 DHBF C[N+](C)(C)C[C@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 209658942 UFSZYKLBZJNXLV-PMACEKPBSA-N 318.481 3.584 5 1 DHBF CCCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 64564638 OFBDFQVCWOCCAY-UHFFFAOYSA-N 318.285 3.953 5 1 DHBF CN1CCN(c2c3ccccc3nc3c2[nH]c2ccccc23)CC1 95575142 GBRZHHMCHBIKOS-UHFFFAOYSA-N 316.408 3.621 5 1 DHBF O=[N+]([O-])c1ccc2sc([C@H]3CN4C=CSC4=N3)cc2c1 103252233 ISZRFHIGXUJXCL-SNVBAGLBSA-N 303.368 3.740 5 1 DHBF O=[N+]([O-])c1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1F 587037013 QGZFKGYTVOHOTB-UHFFFAOYSA-N 303.318 3.827 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080272 LQGIIXXPAXDKIT-CYBMUJFWSA-N 315.716 3.801 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1C)O2 587388687 GHYHJUMVHJGQQW-INIZCTEOSA-N 312.325 3.500 5 1 DHBF COc1ccc2c(c1)C[C@@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)CC2 587947598 YKTIMYMDVOISJN-LBPRGKRZSA-N 323.352 3.752 5 1 DHBF O=[N+]([O-])c1cccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175137 QTWNVZDKTQYMFL-UHFFFAOYSA-N 310.288 3.682 5 1 DHBF Cc1cccc(OCC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279356 GSFWVNYWNXBCOG-UHFFFAOYSA-N 311.293 3.911 5 1 DHBF C[N+](C)([O-])CCc1cc2c(c3c1ccc1ccccc13)OCO2 14715578 NFRZBDDFIRDRND-UHFFFAOYSA-N 309.365 3.838 5 1 DHBF O=[N+]([O-])c1c(Nc2cccc(Cl)c2F)ccc2nonc12 95596756 AHLKPENLDGAISD-UHFFFAOYSA-N 308.656 3.667 5 1 DHBF O=c1ccc2cc3c(cc2o1)oc1cc2oc(=O)ccc2cc13 15222045 AWAIQKLPNLKRRV-UHFFFAOYSA-N 304.257 3.799 5 1 DHBF biogenic O=[N+]([O-])c1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Cl 587089255 NLPOTKUFQYXKOQ-UHFFFAOYSA-N 324.674 3.660 5 1 DHBF C[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 40917779 ANXQLTHEITYXMU-UHFFFAOYSA-N 308.445 3.553 5 1 DHBF O=C1CCC[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 586884569 QCPUXYSXAAFIRT-MRVPVSSYSA-N 307.737 3.741 5 1 DHBF CNC(=O)[C@@H]1C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587235082 KVIQUNXJPFZRJE-JKSUJKDBSA-N 315.376 3.719 5 1 DHBF CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2CC 169327717 LHTJEKZHFQBCAG-UHFFFAOYSA-N 322.408 3.657 5 1 DHBF O=C1CSC(=O)N1Cc1c2ccccc2nc2ccccc12 103187814 OZEFDKWLKHNKBX-UHFFFAOYSA-N 308.362 3.583 5 1 DHBF O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2[N+](=O)[O-])on1 206038486 XLVBSGPPAGNOGC-UHFFFAOYSA-N 311.253 3.825 5 3 DHBF O=C(OCc1ccccc1)c1coc(-c2ccc([N+](=O)[O-])cc2)n1 49049090 RKLOILBOVRNHFF-UHFFFAOYSA-N 324.292 3.607 5 1 DHBF CCCCNc1ccc(C(=O)OCC[N+](C)(C)CCCC)cc1 13672784 GVEZNLXUGOVBIY-UHFFFAOYSA-O 321.485 3.932 5 1 DHBF COc1cc2ncc3c(N)nc(-c4ccoc4)cc3c2cc1OC 45256066 JENKQRHHCRKJCU-UHFFFAOYSA-N 321.336 3.642 5 1 DHBF O=[N+]([O-])c1ccc2[nH]c(-c3nc(-c4ccccc4)no3)cc2c1 64491835 MXRSNVLZKQWYOT-UHFFFAOYSA-N 306.281 3.793 5 1 DHBF Cc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1F 587149393 RTKYSHAUSJCZIL-UHFFFAOYSA-N 319.267 3.637 5 1 DHBF N[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1COC1 587255515 JBNWQLLGTYFFKM-MRXNPFEDSA-N 303.365 3.516 5 1 DHBF O=[N+]([O-])c1cc2c(O)c(-c3ccccc3)c(O)nc2cc1Cl 36185223 IYRZPMPRWYLMEU-UHFFFAOYSA-N 316.700 3.875 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586889409 NNXOYEIHRREOFE-SCLBCKFNSA-N 305.337 3.843 5 1 DHBF O=[N+]([O-])c1ccc(O[C@H](c2ccccc2)C2CCNCC2)cc1 13530866 MMHUEYFGJWFVND-GOSISDBHSA-N 312.369 3.715 5 1 DHBF CC(C)CCn1c(=O)c2cc3c(cc2c2ccccc21)OCO3 95559082 RICZHCMSXSXKCY-UHFFFAOYSA-N 309.365 3.930 5 1 DHBF O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCCc1ccccc1)CC2 653747933 DYOFAMKWNXOMBX-SFHVURJKSA-N 310.397 3.675 5 1 DHBF COC(=O)Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-] 26398504 KEPXUWDIJGQYNK-UHFFFAOYSA-N 321.716 3.756 5 1 DHBF Cc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2n1 587140277 WTDUPKRALYXGFF-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1nc([N+](=O)[O-])cc1C 587631859 XQVGFYLDILFHPE-UHFFFAOYSA-N 308.700 3.671 5 1 DHBF CCc1cc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2cc1O 178254 VZBXEFFSPSODAS-UHFFFAOYSA-N 311.293 3.636 5 1 DHBF O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCCc1ccccc1)CC2 653747932 DYOFAMKWNXOMBX-GOSISDBHSA-N 310.397 3.675 5 1 DHBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4cc(O)ccc4oc23)O1 14780243 TZPXKEYIVMJZOB-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic,in-vitro O=[N+]([O-])c1cncn1CCOC(c1ccccc1)c1ccccc1 33819117 BGCFGXBONVJUSH-UHFFFAOYSA-N 323.352 3.598 5 1 DHBF CCc1c(C)[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1 6838 HRXHKHXJYOIYON-UHFFFAOYSA-N 318.398 3.922 5 1 DHBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(O)cc3[nH]2)c1F 587139987 UWGVTPOCOXFDSH-UHFFFAOYSA-N 307.668 3.636 5 1 DHBF N=C(N)c1ccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 653697672 NAPCNDQRUBMZCX-UHFFFAOYSA-N 307.309 3.806 5 1 DHBF CCOc1ccc(C(=O)CN2C=C[C](CC)C=C2)cc1[N+](=O)[O-] 2356825213 FRMQLQPFECHXFC-UHFFFAOYSA-N 315.349 3.504 5 1 DHBF C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2CC[C@@H]1C2 102752605 YEEYJVYBTJKOSN-IQBKKGJCSA-N 314.385 3.549 5 1 DHBF COc1ccccc1CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279322 GFYOFDMFAQZHAA-UHFFFAOYSA-N 311.293 3.775 5 1 DHBF CC[N+]1(C)CC[C@@H](OC(=O)[C@H](c2ccccc2)C2CCCC2)C1 1842738 ALFZXSYVXNSOBR-AQFHOAJTSA-N 316.465 3.742 5 1 DHBF O=C(Cc1ccc(Cl)cc1)c1nc2c([N+](=O)[O-])cccc2[nH]1 587069766 KFFZUIAHZOCTPY-UHFFFAOYSA-N 315.716 3.550 5 1 DHBF Cc1ccc2c3c1sc1cnccc1c3nn2CCN(C)C 26835644 WKVDAWAUUMIYLT-UHFFFAOYSA-N 310.426 3.669 5 1 DHBF CCCCn1c(=O)c2ccccc2c2cc(NC(C)=O)ccc21 1772622399 XIIAMIREUPMGQG-UHFFFAOYSA-N 308.381 3.913 5 1 DHBF C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 1911578708 CTLCSFGCIVNYGV-AABGKKOBSA-N 312.433 3.591 5 1 DHBF CCCNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299266 MPQDRHAXGAOATF-UHFFFAOYSA-N 323.392 3.632 5 1 DHBF O=C(c1ccco1)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646359 PSRUXHUSBFAWTK-UHFFFAOYSA-N 306.224 3.838 5 1 DHBF C[C@H](/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12)c1ccccc1 101606505 DCHAWRHERAYZRC-KLIGIEKFSA-N 310.309 3.709 5 1 DHBF CC(C)c1c(CC(=O)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645476 WMEUPUYLWSRPHX-UHFFFAOYSA-N 314.263 3.873 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586887217 HGZMSFRHUYQQOR-KDOFPFPSSA-N 305.337 3.843 5 1 DHBF C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@@H]1C2 102752604 YEEYJVYBTJKOSN-HYTDMMDUSA-N 314.385 3.549 5 1 DHBF O=[N+]([O-])c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062267 PWTJYSCOGVXMLF-UHFFFAOYSA-N 302.721 3.737 5 1 DHBF Cc1cc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c(C)n1 587140339 ZZADEGLLERQXPG-UHFFFAOYSA-N 320.711 3.942 5 1 DHBF Clc1nnc(NCCc2c[nH]cn2)c2cc3ccccc3cc12 29134247 MEBPGJFQPAJIME-UHFFFAOYSA-N 323.787 3.814 5 1 DHBF CN1CCC[C@@H]1CCNc1ccc2c(=O)c3ccccc3oc2c1 15935760 HDPRCSYTSRPGLU-OAHLLOKOSA-N 322.408 3.842 5 3 DHBF Cc1ccc2nn(CCN(C)C)c3c4cccnc4sc1c23 26835635 YQWSVUYFWXHBAC-UHFFFAOYSA-N 310.426 3.669 5 1 DHBF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587169146 UFDOYTQZZALYQG-SECBINFHSA-N 301.277 3.750 5 1 DHBF COc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1O 587787729 XYDYGQCTGDJETJ-UHFFFAOYSA-N 319.704 3.506 5 1 DHBF Cc1cc([C@H]2C[C@H](C)C(=O)O2)c2c(=O)c3c(O)cccc3oc2c1 2356326217 VXROYXNAGKBDKJ-IINYFYTJSA-N 324.332 3.584 5 1 DHBF O=Nc1c([C@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2ccccc12 169722491 IUJJKGUBKGMJDU-ZDUSSCGKSA-N 322.280 3.558 5 1 DHBF O=[N+]([O-])c1cccc2nc(COC/C=C\c3ccccc3)[nH]c12 587780858 KNSCUEJOFQIRAG-YVMONPNESA-N 309.325 3.701 5 1 DHBF O=C(O)c1[nH]c2cccc(F)c2c1-c1ccccc1[N+](=O)[O-] 587635190 DZMFABTZCWMHJX-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF CC(=O)Oc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645577 DEFWQMLTVAZRDJ-UHFFFAOYSA-N 314.272 3.808 5 1 DHBF COc1cccc(-c2cc3c4c(cccc4n2)CC3)c1[N+](=O)[O-] 587210677 DMZPYWJBHACULR-UHFFFAOYSA-N 306.321 3.917 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@@H](C)c1ccccc1 587646426 AEABJRPARNAFLZ-NSHDSACASA-N 323.352 3.876 5 1 DHBF COC(=O)c1c2ccn(C)cc2c(C)c2c1nc1ccccc12 1772602329 YBZFPPRIUCIIMN-UHFFFAOYSA-N 304.349 3.975 5 1 DHBF Cc1ccccc1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 40892411 DVGZFIQGYQECGM-UHFFFAOYSA-N 316.382 3.859 5 1 DHBF C[C@@]12C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@@H](O1)c1ccccc1N2 6248305 YIKIVCPEROTXPQ-DKIMLUQUSA-N 310.353 3.719 5 1 DHBF biogenic C/C(=C\Cc1c(C)c(C)c(C)c([N+](=O)[O-])c1O)CCC(=O)O 13759752 USPMXDARUZAQTG-WEVVVXLNSA-N 307.346 3.579 5 1 DHBF O=[N+]([O-])c1cccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587151117 QGWTYCTXOGRNML-ALCCZGGFSA-N 301.252 3.920 5 1 DHBF O=c1[nH]c2ccccc2c2c(=O)c3ccc(Cl)cc3sc12 473165410 BRQQBMCGCUPNAT-UHFFFAOYSA-N 313.765 3.910 5 1 DHBF O=[N+]([O-])c1cccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587138383 JVZAXHGMNVKCBE-UHFFFAOYSA-N 321.258 3.674 5 1 DHBF CO[C@H]1CCCc2nc(Nc3ccc([N+](=O)[O-])cc3)sc21 1857650047 QSXPVNWRJNTYAF-LBPRGKRZSA-N 305.359 3.819 5 1 DHBF CC(C)c1csc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 49111829 OOTNGWHIIUJOLE-UHFFFAOYSA-N 316.342 3.892 5 1 DHBF Cc1ccc2c(ccc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc32)n1 587269144 QWGTUZLSQGBDFL-UHFFFAOYSA-N 308.297 3.896 5 1 DHBF CNC(=O)OCc1cc2ccncc2c2c1[nH]c1ccccc12 1622361 PJIHPQGCZPTWGM-UHFFFAOYSA-N 305.337 3.725 5 1 DHBF CCSCCNc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82161723 DQWBFGUZILQZRR-UHFFFAOYSA-N 318.402 3.525 5 1 DHBF CS(=O)(=O)/C=C/c1nc2c3ccccc3c3ccccc3c2[nH]1 586924602 CWMHNKCTQVJWSY-ZHACJKMWSA-N 322.389 3.885 5 1 DHBF O=C(O)c1cc(C(=O)O)c2ccc3cc4ccccc4cc3c2n1 103261087 FNFOCLDEQKVHRC-UHFFFAOYSA-N 317.300 3.938 5 1 DHBF CC1(C)CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1 3117 MHJLSLUZLVQTBK-UHFFFAOYSA-N 309.365 3.561 5 1 DHBF O=C(COc1ccccc1F)c1coc2cc([N+](=O)[O-])ccc12 587280320 SMCNPJNAUUODMK-UHFFFAOYSA-N 315.256 3.742 5 1 DHBF CC[N+](CC)(CC)COC(=O)C1(c2ccccc2)CCCC1 27546754 VWHXLPBFAGCUFJ-UHFFFAOYSA-N 304.454 3.876 5 1 DHBF O=C(O)c1ccc2c(c1)nc(-c1cccnc1)c1ccncc12 82158243 MLHDFKOOYRVEDH-UHFFFAOYSA-N 301.305 3.543 5 1 DHBF O=[N+]([O-])c1ccc(C2=NN[C@@H](c3cccc(Cl)c3)C2)cc1 98082714 KDZWBFNKBLFWOE-OAHLLOKOSA-N 301.733 3.687 5 1 DHBF C[C@]12CC[C@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O 17047146 WNYWRAYXFFPPGN-JPVZDGGYSA-N 315.369 3.726 5 1 DHBF O=[N+]([O-])c1ccc(O[C@H](Cn2ccnc2)c2ccccc2)cc1 49802579 XRAODPKCDUBYDU-QGZVFWFLSA-N 309.325 3.612 5 1 DHBF Cc1oc2c(c1-c1nc3ccc([N+](=O)[O-])cc3[nH]1)C(=O)CCC2 586903307 ILMQIJFTICBXFY-UHFFFAOYSA-N 311.297 3.559 5 1 DHBF Nc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc2ccccc12 587253741 OIZYNBFLEXENTM-UHFFFAOYSA-N 304.309 3.874 5 1 DHBF COc1ccc([C@@H](Cc2ccccc2[N+](=O)[O-])n2ccnc2)cc1 28245464 CMIQDOUQIJUFFE-GOSISDBHSA-N 323.352 3.632 5 1 DHBF C[N+]1(C)CCC[C@H](COC(=O)c2ccccc2-c2ccccc2)C1 82155479 DMOZCNCWTVAMKU-KRWDZBQOSA-N 324.444 3.997 5 1 DHBF CSc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1 473083636 OVPFPLNOPGBOJH-UHFFFAOYSA-N 312.354 3.564 5 1 DHBF O=[N+]([O-])c1ccc2c(c1)CCc1nc3cccc4c3c(c1C2)CC4 587211099 LNTGTLDGSIQOBT-UHFFFAOYSA-N 316.360 3.931 5 1 DHBF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1[N+](=O)[O-] 587211361 QBPKLEBHCCMQGB-UHFFFAOYSA-N 306.321 3.917 5 1 DHBF CCOc1ccc(C(=O)CN2[CH]C=CC(CC)=C2)cc1[N+](=O)[O-] 2356833308 JNPUXZUNMDMPEY-UHFFFAOYSA-N 315.349 3.504 5 1 DHBF CCOC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O 82151682 WPJOKAJDEPZURK-UHFFFAOYSA-N 308.289 3.869 5 1 DHBF c1nc2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4 13374889 VUKAQXDGBZWYGE-UHFFFAOYSA-N 317.300 3.999 5 1 DHBF biogenic CCCN1[C@H](c2ccncc2[N+](=O)[O-])c2ccccc2C[C@H]1C 963240541 KKKQPJSSEKEXMF-ACJLOTCBSA-N 311.385 3.736 5 1 DHBF CN(C)CCNc1c2nc3ccccc3c-2n(C)c2ccccc12 140714631 HFSOZVATIHXNIC-UHFFFAOYSA-N 318.424 3.805 5 1 DHBF CCOc1ccc(C(=O)CN2C=CC(C)=C[C]2C)cc1[N+](=O)[O-] 2356815989 HEPHOHYTUANOKO-UHFFFAOYSA-N 315.349 3.504 5 1 DHBF Nc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1 59223130 CHUQVSURYWXKPA-UHFFFAOYSA-N 315.332 3.730 5 1 DHBF Cc1ccc2sc3ccc4[nH]c(C(=O)O)cc(=O)c4c3c2c1 169319946 KMOONARLCAILFZ-UHFFFAOYSA-N 309.346 3.903 5 1 DHBF O=[N+]([O-])c1cccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586897372 CPHNQRQZEBYSBI-UHFFFAOYSA-N 309.325 3.723 5 1 DHBF COC(=O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645697 IFNDTSGVKFSVDF-UHFFFAOYSA-N 314.272 3.669 5 1 DHBF C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101767235 BOQHEVYQIXGRBL-ZHSDAYTOSA-N 322.792 3.803 5 1 DHBF Cc1cc2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2cc1[N+](=O)[O-] 587088047 IFFYPQJDAMJUCM-SECBINFHSA-N 322.315 3.529 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037356 ULEAQUPXOXNRRX-ZDUSSCGKSA-N 317.395 3.911 5 1 DHBF C[n+]1ccc2c3ccccc3n3c4c(c5ncsc5c1c24)CC3 137697744 LTTXKONHDQHSMB-UHFFFAOYSA-N 316.409 3.938 5 1 DHBF CC(C)[C@@](C)(O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586886314 FSDVHMWRWUTTTD-GOSISDBHSA-N 306.369 3.523 5 1 DHBF Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCO)c2n1 5582160 UQSPFMIFABHKSY-UHFFFAOYSA-N 323.440 3.839 5 1 DHBF Nc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2c1 587252217 TUBOTJORXDCUCA-UHFFFAOYSA-N 304.309 3.874 5 1 DHBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccc(F)cc2F)o1 1772604824 GIPBPFVEUJWEPI-UHFFFAOYSA-N 303.224 3.590 5 1 DHBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1 57825739 PIJIKRWJRPCNOA-QHHAFSJGSA-N 301.252 3.920 5 1 DHBF CCCC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCC1 586877842 RTVOEPCVATVONJ-UHFFFAOYSA-N 304.306 3.601 5 1 DHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccnc4[nH]3)c2)c1 587270324 VMOYIDZLOJILAS-UHFFFAOYSA-N 317.308 3.595 5 1 DHBF Cc1cc([N+](=O)[O-])cc(C)c1OC[C@H]1CCCN2CCCC[C@H]12 35090986 XBEJLDNYKPUPTI-NVXWUHKLSA-N 318.417 3.855 5 1 DHBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(F)cnc3[nH]2)ccc1Cl 587048354 UBIHPSNVMLSKNR-DUXPYHPUSA-N 318.695 3.829 5 1 DHBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587085125 YONINOVUTBRKFY-UHFFFAOYSA-N 309.112 3.840 5 1 DHBF CSc1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270372 NBYWUBLIENIJSU-UHFFFAOYSA-N 313.382 3.978 5 1 DHBF O=[N+]([O-])c1ccc(Nc2nnc(-c3c[nH]c4ccccc34)o2)cc1 1772619578 RNCZZMGNHILWLR-UHFFFAOYSA-N 321.296 3.870 5 1 DHBF C/C=C1/C[N+]23CCc4c([nH]c5cccc(OC)c45)[C@@H]2C[C@@H]1CC3 197350423 RWZRKOGULMKPPF-NUISHVQASA-N 309.433 3.960 5 1 DHBF COc1c2c(c3c4c(cc5ccccc53)N(C)CCc14)OCO2 5140865 VQOWFNUMBHRHJU-UHFFFAOYSA-N 307.349 3.723 5 1 DHBF biogenic,in-vitro CC(=O)n1[nH]c2ccc([N+](=O)[O-])cc2sc2ccccc21 139701936 VFIREGNJWDIGNT-UHFFFAOYSA-N 301.327 3.877 5 1 DHBF O=[N+]([O-])c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1F 587042488 KYPUQKNSWJKLND-AWEZNQCLSA-N 315.329 4.000 5 1 DHBF O=C1O[C@@H](O)c2cc(O)c3oc4ccccc4c4ccc1c2c34 13481658 YKOZPDXFYYNZLM-GOSISDBHSA-N 306.273 3.606 5 1 DHBF biogenic CC(=O)O[C@@H]1CCCC[C@@H]1[N+]1(C)CCC(c2ccccc2)CC1 28239559 FWAOTPDCPOLQQM-RKDVLTNBSA-N 316.465 3.885 5 1 DHBF CCSCCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 29044259 UFEFCWMZKLJDDY-UHFFFAOYSA-N 317.417 3.552 5 1 DHBF CCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 45365390 XRKXCFYSZRRYQZ-UHFFFAOYSA-N 301.302 3.507 5 1 DHBF Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587564735 PCZMKJLGIPTUEO-UHFFFAOYSA-N 311.341 3.975 5 1 DHBF CN(C)CCNc1c2ccccc2nc2c1[nH]c1ccccc12 13675779 OVHILEKSMJQXOW-UHFFFAOYSA-N 304.397 3.843 5 1 DHBF C[n+]1c2ccc(Cl)cc2cc2[nH]c3c([N+](=O)[O-])cccc3c21 28826843 WNLQPXXNGMTYCY-UHFFFAOYSA-O 312.736 3.860 5 1 DHBF COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587066167 GSXGTBMNFKOIPM-UHFFFAOYSA-N 321.695 3.939 5 1 DHBF Cc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1[N+](=O)[O-] 587176412 SQQWNQPKPBPCPA-UHFFFAOYSA-N 320.711 3.558 5 1 DHBF COc1ccc2c(c1)[nH]c1c3ccncc3cc(CN(C)C)c21 217045535 SGHCQHPUOFFGKX-UHFFFAOYSA-N 305.381 3.940 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037354 ULEAQUPXOXNRRX-CYBMUJFWSA-N 317.395 3.911 5 1 DHBF Cc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Cl 587266984 DEGVLVQLBWHVDL-SECBINFHSA-N 319.752 3.547 5 1 DHBF O=[N+]([O-])c1cccc2nc(CCCCc3cccc(O)c3)[nH]c12 586895823 AOUCOXQGBRLFNZ-UHFFFAOYSA-N 311.341 3.742 5 1 DHBF Cc1nn(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c(C)c1[N+](=O)[O-] 587630825 DMIXDVGFDKWZSB-UHFFFAOYSA-N 322.727 3.980 5 1 DHBF Cc1nc[nH]c1Cn1ccc2c(C)cc3ccccc3c2c1=O 13421 KMBZUPVQJOKXHA-UHFFFAOYSA-N 303.365 3.543 5 1 DHBF Cc1ccccc1OCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587278999 CTJNGMNMFGUCRP-UHFFFAOYSA-N 311.293 3.911 5 1 DHBF O=C(c1cnc2ccccc2n1)c1coc2cc([N+](=O)[O-])ccc12 587280181 MUJGPHQOEYLXNP-UHFFFAOYSA-N 319.276 3.515 5 1 DHBF COc1cc2c3c(cc4ccc(C)cc4c3c1OC)N(C)C2=O 40877814 DYCGUQIRBHUQRO-UHFFFAOYSA-N 307.349 3.909 5 1 DHBF c1ccc2nc3cc4[nH]c(C5CC6(COC6)C5)nc4cc3nc2c1 586916416 YSULDVKCRUNMJP-UHFFFAOYSA-N 316.364 3.553 5 1 DHBF CCCOc1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587778983 SHLQSJBIOOGABX-UHFFFAOYSA-N 311.341 3.851 5 1 DHBF CCOC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299326 XXUWPHPPHWCZRG-UHFFFAOYSA-N 310.349 3.669 5 1 DHBF c1cnc2c(c1)c1nc(C3CC4(COC4)C3)[nH]c1c1cccnc12 586916156 WDSNFOSQTAIESO-UHFFFAOYSA-N 316.364 3.553 5 1 DHBF O=[N+]([O-])c1cc2nc(-c3occ4c3CCC4)[nH]c2cc1Cl 586905604 VLBAGFWIOONVNO-UHFFFAOYSA-N 303.705 3.873 5 1 DHBF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 587080106 RMKVUPNSTZRZDW-MRVPVSSYSA-N 319.752 3.959 5 1 DHBF CC[C@@H](C)c1ccc2[nH]c(C)c(Cn3cnc([N+](=O)[O-])n3)c2c1 587640443 AGUCAVZIYNYOFM-SNVBAGLBSA-N 313.361 3.538 5 1 DHBF Cc1ccc(C2=NC(C)(C)N3[C@@H]2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 254104101 YATCIHIUWARHCF-IZKAZRHKSA-N 321.380 3.868 5 3 DHBF OC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCOCC1 586912400 DABHTKIJOFJSAM-UHFFFAOYSA-N 318.376 3.867 5 1 DHBF CC[C@@H]1CCCCN1C(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587649031 OCWZDKYTHSENGO-GFCCVEGCSA-N 315.373 3.789 5 1 DHBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3ccccc3F)nc12 1857604586 FYWMWLDYGFVRAW-AATRIKPKSA-N 317.301 3.615 5 1 DHBF c1ccc2c(c1)c1ccccc1c1[nH]c(C[C@H]3COCCO3)nc21 586909834 JIAPHPSAYRCFIS-ZDUSSCGKSA-N 318.376 3.827 5 1 DHBF CC(C)=CCc1ccc(O)c2oc3cc(O)cc(O)c3c(=O)c12 14819744 SZMSRIIZCHESKM-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic Cc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1C 587148513 JHKLGILRRSKJML-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF O=C(c1ccc2nccnc2c1)c1coc2cc([N+](=O)[O-])ccc12 587280014 YKAUTCYJDIGTBP-UHFFFAOYSA-N 319.276 3.515 5 1 DHBF CCN(CC)CCC/N=c1\cc(O)c2ccc3ccccc3c2o1 13676943 OGSULQRMLVVLQA-XUTLUUPISA-N 324.424 3.924 5 1 DHBF CC(C)[C@@H](NCc1c2ccccc2nc2ccccc12)C(=O)O 5498935 AZNTXKHUUUAGRH-GOSISDBHSA-N 308.381 3.587 5 1 DHBF Cc1cccc(/N=c2\c([N+](=O)[O-])c(O)oc3ccccc23)c1C 621471729 KZPHXJCDWFMSHD-SDXDJHTJSA-N 310.309 3.896 5 1 DHBF Cc1cc2[nH]c(-c3cc4cc(N)ccc4o3)nc2cc1[N+](=O)[O-] 587252909 SILGUYWHHREXPH-UHFFFAOYSA-N 308.297 3.775 5 1 DHBF COc1ccc2[nH]c3c(C)c4ccnc(NCCN)c4cc3c2c1 6069486 DDCKUULCSVIYPY-UHFFFAOYSA-N 320.396 3.557 5 1 DHBF COc1cc2c(cnc3c4cc5c(cc4ccc23)OCO5)cc1O 14614033 NHASDCNQOBLSAV-UHFFFAOYSA-N 319.316 3.984 5 1 DHBF O=[N+]([O-])c1c(Br)ccc2nc(C=C3CCC3)[nH]c12 587964552 CFYROWHTPDMYSF-UHFFFAOYSA-N 308.135 3.801 5 1 DHBF COc1cc2ccc3c4c(ccc3c2c(OC)c1OC)OCO4 14650682 CUQPYVKUCVOYHG-UHFFFAOYSA-N 312.321 3.748 5 1 DHBF biogenic COC(=O)c1cccc2nc3c(Cl)ccc(Cl)c3nc12 1857630509 OJHKIOPHCKZTON-UHFFFAOYSA-N 307.136 3.876 5 1 DHBF CC(C)(Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587007608 AUZSIGORVVMXJY-UHFFFAOYSA-N 318.558 3.708 5 1 DHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3ccccc3cc2[nH]1 587274238 OLRUIGHBGUTBPO-LLVKDONJSA-N 321.340 3.625 5 1 DHBF COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1C 587279990 XNFMNSPUSVIARU-UHFFFAOYSA-N 311.293 3.889 5 1 DHBF CC(C)OC(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645008 HGGGWRWOBNUEGN-UHFFFAOYSA-N 316.235 3.660 5 1 DHBF O=C(c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1O 58502256 GRMKFQYASBUJIX-UHFFFAOYSA-N 315.328 3.618 5 1 DHBF Cc1sc2c(c1C)CCN[C@]2(C)c1cccc([N+](=O)[O-])c1C 963016201 XSJKGKRGYICFMF-QGZVFWFLSA-N 316.426 3.991 5 1 DHBF O[C@H]1CC[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 586896592 OPEOETXSIWDITO-TXEJJXNPSA-N 318.380 3.678 5 1 DHBF CNC(=O)[C@H]1C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587235079 KVIQUNXJPFZRJE-CVEARBPZSA-N 315.376 3.719 5 1 DHBF O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645447 BGWHPXIPYABCOE-UHFFFAOYSA-N 314.272 3.509 5 1 DHBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc([N+](=O)[O-])cn1 963229577 NUPVJEVQMWTHSL-FZKQIMNGSA-N 311.385 3.736 5 1 DHBF O=[N+]([O-])c1cccc(Nc2cncc(-c3ccccc3CO)c2)c1 230567274 GQWBLEQBUZAFQH-UHFFFAOYSA-N 321.336 3.893 5 1 DHBF CSc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587161702 PQARJXPANKGUOH-UHFFFAOYSA-N 303.318 3.999 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NC1CCCCCC1 587647472 YUQCMDAGLYPIMB-UHFFFAOYSA-N 315.373 3.837 5 1 DHBF Cc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1F 587159732 VTTWUWTXMXXSGI-UHFFFAOYSA-N 319.267 3.637 5 1 DHBF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587196403 UMIJTNLZFZZUDZ-LLVKDONJSA-N 310.357 3.689 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccccc1[N+](=O)[O-] 587647599 JTNADTXKZUMWIW-UHFFFAOYSA-N 311.297 3.884 5 1 DHBF O=[N+]([O-])c1cc(Br)cc2nc(C=C3CCC3)[nH]c12 587965113 NVFFAFBXOZQOMZ-UHFFFAOYSA-N 308.135 3.801 5 1 DHBF CC1(C)C(=O)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21 13860670 FUWSBZPWEYZYPZ-UHFFFAOYSA-N 300.289 3.631 5 1 DHBF C[n+]1c2ccccc2cc2[nH]c3cc(Cl)c([N+](=O)[O-])cc3c21 28826851 VANAEWPFBYWQOG-UHFFFAOYSA-O 312.736 3.860 5 1 DHBF Cc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 95574470 XSRLJMGLNQLTLO-UHFFFAOYSA-N 306.705 3.515 5 1 DHBF O=[N+]([O-])c1cccc2nc(CNc3ccccc3Cl)[nH]c12 587061935 LTIRPLDOORXQSP-UHFFFAOYSA-N 302.721 3.737 5 1 DHBF O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586887212 HGZMSFRHUYQQOR-KBXCAEBGSA-N 305.337 3.843 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N(C)c1ccccc1 587647389 XXDZGACLIZROST-UHFFFAOYSA-N 309.325 3.661 5 1 DHBF CS(=O)(=O)/C=C\c1nc2c3ccccc3c3ccccc3c2[nH]1 586924599 CWMHNKCTQVJWSY-KHPPLWFESA-N 322.389 3.885 5 1 DHBF Cc1cccc(CCOC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 40834385 WXXXWETZQVLEFU-UHFFFAOYSA-N 316.382 3.859 5 1 DHBF CN(C)c1ccc2c(c1)c1c(sc3ccccc31)c(=O)n2C 103231121 YKDOGJSMUJEXAO-UHFFFAOYSA-N 308.406 3.972 5 1 DHBF CC(C)(C)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2n1 587270874 VLSYSISYBVYVBZ-UHFFFAOYSA-N 324.384 3.949 5 1 DHBF O[C@@H](CN1CCCCC1)c1c2ccccc2nc2ccccc12 4773976 NJBBDDMYJMWAFJ-IBGZPJMESA-N 306.409 3.907 5 1 DHBF COc1cc2ncc3c(N)nc4c(C)cccc4c3c2cc1OC 14969822 RVJYWALZXYKHDY-UHFFFAOYSA-N 319.364 3.844 5 1 DHBF CN(C)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279605 NKZMAEXIQKRVPU-UHFFFAOYSA-N 310.309 3.638 5 1 DHBF CNc1c(F)cccc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587135689 MGJOJHROEVAXCE-UHFFFAOYSA-N 300.293 3.627 5 1 DHBF CCOC(=O)[C@H](CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 71319050 WKINUTIZXHNPLO-QGZVFWFLSA-N 313.353 3.874 5 1 DHBF CN(C)C(=O)[C@H]1CC(c2cc3ccccc3c3ccccc23)=NO1 84604862 QOBLQGQOFUZUAG-LJQANCHMSA-N 318.376 3.574 5 1 DHBF O=[N+]([O-])c1cncc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028112 OHCYVMCYDOPLPJ-UHFFFAOYSA-N 323.337 3.657 5 1 DHBF O=[N+]([O-])c1ccc(COc2ccc(CN3CCCC3)cc2)cc1 61936344 YRFSUOQVFITONK-UHFFFAOYSA-N 312.369 3.770 5 3 DHBF C[N+](C)(C)CCc1cc2c(c3c1ccc1ccccc13)OCO2 344007 SUXCFKVPIRPDAQ-UHFFFAOYSA-N 308.401 3.970 5 1 DHBF Cc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4 6491448 MGXACOZTGFYFIT-UHFFFAOYSA-N 321.376 3.890 5 1 DHBF c1ccc2c(c1)ccc1c(N3CCNCC3)nc3ccccc3c12 13742148 SNTSURDZDJIQHH-UHFFFAOYSA-N 313.404 3.951 5 1 DHBF Cc1oc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268595 GDHGKODNZKVFJS-UHFFFAOYSA-N 313.100 3.741 5 1 DHBF Cc1ccc(C2=NC(C)(C)N3[C@H]2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 254104097 YATCIHIUWARHCF-FYQIFJIOSA-N 321.380 3.868 5 3 DHBF O=[N+]([O-])c1ccc(-c2csc(Nc3ccccc3O)n2)o1 73294227 GRVPASUGNHSZII-UHFFFAOYSA-N 303.299 3.761 5 1 DHBF COc1c(C(=O)O)cc(OC)c2c(OC)c3ccccc3cc12 14775026 IDTMYXXKXJEOIE-UHFFFAOYSA-N 312.321 3.717 5 1 DHBF biogenic Cc1ccc([C@H](C)[C@H](O)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586888220 JGRPTWMELUDGMO-ZBEGNZNMSA-N 311.341 3.617 5 1 DHBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(O)cccc3oc12 1857592825 RFSDDSCQASALMZ-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF Cc1cc(O)c(Cl)c2c(=O)oc3c(Cl)c(O)ccc3c12 28571030 RFOZDFUWMSPOPZ-UHFFFAOYSA-N 311.120 3.973 5 1 DHBF c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)CC5)[nH]4)CC3 38792143 BHPNXACHQYJJJS-UHFFFAOYSA-N 314.392 3.885 5 1 DHBF in-vitro O=[N+]([O-])c1ccc(SCCCc2ccccc2)c2nonc12 299828001 QDBUFXSPJYEOLJ-UHFFFAOYSA-N 315.354 3.856 5 1 DHBF Cc1cc2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2cc1[N+](=O)[O-] 586917579 HFNVDJYDMCVFTQ-UHFFFAOYSA-N 321.292 3.553 5 1 DHBF Cn1c2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3nc-2cc2ccccc21 59335034 HXRBBXRMADUZBG-UHFFFAOYSA-N 322.280 3.648 5 1 DHBF Cc1cc(C)c2nc3c(Br)ccc(O)c3nc2c1 1857767745 GOLKOUJQOHNFES-UHFFFAOYSA-N 303.159 3.868 5 1 DHBF O=C1C[C@H](c2ncccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587510383 AHIYUJYPYSCZOQ-MRXNPFEDSA-N 324.336 3.575 5 1 DHBF COc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 1857757114 LHHIUMUGJADHDQ-UHFFFAOYSA-N 316.357 3.576 5 1 DHBF O=C1CCC[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 586884575 QCPUXYSXAAFIRT-QMMMGPOBSA-N 307.737 3.741 5 1 DHBF Cc1cc2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-] 587261014 PLBIYVIZUSVDOL-UHFFFAOYSA-N 312.285 3.663 5 1 DHBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 103175944 YILUXQNZKZKHBM-HNNXBMFYSA-N 303.701 3.955 5 1 DHBF Cc1ncsc1CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587027272 UTRMCZOHJQSNPF-UHFFFAOYSA-N 322.777 3.675 5 1 DHBF COc1cccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279373 HNBXKXXLDJPUJP-UHFFFAOYSA-N 311.293 3.775 5 1 DHBF Cc1c(-c2cc(C(=O)O)ccc2F)[nH]c2cccc([N+](=O)[O-])c12 587645646 AQSVCMXOXVDZIN-UHFFFAOYSA-N 314.272 3.889 5 1 DHBF COc1cc2cc(OC)c3cccc(O)c3c2c(OC)c1OC 1772490977 IQUUXFOZWKSLBQ-UHFFFAOYSA-N 314.337 3.733 5 1 DHBF COc1cc2c3c(c(O)c4ccccc4c3c1OC)N(C)CC2 13452775 FYQCXYMJSBZWPM-UHFFFAOYSA-N 309.365 3.708 5 1 DHBF biogenic Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(Cl)n1 587280457 XKZQTFIIUBIBSI-UHFFFAOYSA-N 316.700 3.929 5 1 DHBF CO[C@@H]1CCCc2nc(Nc3ccc([N+](=O)[O-])cc3)sc21 1857650046 QSXPVNWRJNTYAF-GFCCVEGCSA-N 305.359 3.819 5 1 DHBF Cc1nc2ccccn2c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280265 QLMOMFLQUIGSQP-UHFFFAOYSA-N 321.292 3.528 5 1 DHBF O=c1oc2c(ccc3ccccc32)cc1C1=CSC2=NCCN12 1662013 HVXXGLDQWLGHNF-UHFFFAOYSA-N 320.373 3.663 5 1 DHBF Cc1cccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1 587646930 NFSXIMVYKFMHQX-UHFFFAOYSA-N 309.325 3.945 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@@H](C)c1ccccc1 587647485 ZGMIWQOYAVINNQ-NSHDSACASA-N 323.352 3.876 5 1 DHBF CCOc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 95589472 UWMHIDPZOBFNGJ-UHFFFAOYSA-N 320.348 3.590 5 1 DHBF O=C(O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(F)cc1 587646169 WDNIDRMSLSEMAK-UHFFFAOYSA-N 300.245 3.580 5 1 DHBF Cc1oc2c(c1-c1nc3cccc([N+](=O)[O-])c3[nH]1)C(=O)CCC2 586902957 DEXHRFBPBSLLJY-UHFFFAOYSA-N 311.297 3.559 5 1 DHBF COc1ccc2c(c1)cc1c3c(cc(OC)c(OC)c32)C(=O)N1C 40424592 AHRRGTCBVMXKSE-UHFFFAOYSA-N 323.348 3.609 5 1 DHBF COc1ccc2c(ccc3c(CCN(C)C)cc4c(c32)OCO4)c1 14826908 VOBOKMKHEYYRGG-UHFFFAOYSA-N 323.392 3.834 5 1 DHBF biogenic O=[N+]([O-])c1ccc(Nc2ncc(Br)s2)cc1 34987638 KZBDTDUPILBSCQ-UHFFFAOYSA-N 300.137 3.557 5 1 DHBF Nc1ccccc1Sc1cc(O)nc2c([N+](=O)[O-])cccc12 299860458 GRYDBLJJBOBPKO-UHFFFAOYSA-N 313.338 3.582 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586889410 NNXOYEIHRREOFE-UGSOOPFHSA-N 305.337 3.843 5 1 DHBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587933291 VVKFTQXJLWCDBB-KPZWWZAWSA-N 323.352 3.925 5 1 DHBF Cc1c(Cl)ccc2c(=O)c3cccc(CC(=O)O)c3oc12 5538905 PBBOWRYXEUGBPK-UHFFFAOYSA-N 302.713 3.535 5 1 DHBF COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1 103300501 BPZIMOQOVWSJKR-UHFFFAOYSA-N 309.433 3.904 5 1 DHBF Cc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 587047057 AAXSGQBDEJJLFY-DAXSKMNVSA-N 314.732 3.998 5 1 DHBF C[n+]1ccc2c3c(nc4cc5c(cc42)OCO5)-c2ccccc2-c31 1772606157 SQLDZTBBSNZSKZ-UHFFFAOYSA-N 313.336 3.589 5 1 DHBF Cc1cc(NC(=O)CC(C)C)nc2c1c(=O)oc1ccccc12 428475 LLNFKYPCUBERGL-UHFFFAOYSA-N 310.353 3.634 5 1 DHBF C[C@@]12CC[C@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O 17047144 WNYWRAYXFFPPGN-WKZPIUISSA-N 315.369 3.726 5 1 DHBF O=[N+]([O-])c1cccc2nc(COC/C=C/c3ccccc3)[nH]c12 587780857 KNSCUEJOFQIRAG-VMPITWQZSA-N 309.325 3.701 5 1 DHBF O=[N+]([O-])[C@H]1CCCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962671320 XDYKDFZMKSZCDF-AZUAARDMSA-N 322.408 3.914 5 1 DHBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccncc1[N+](=O)[O-] 963240542 KKKQPJSSEKEXMF-FZKQIMNGSA-N 311.385 3.736 5 1 DHBF O=[N+]([O-])c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037120 SESGWWFXJIGERX-CYBMUJFWSA-N 317.395 3.911 5 1 DHBF COc1c2c(cc3c(=O)c4c(O)cccc4oc13)C=CC(C)(C)O2 15217371 JRTRHKZHVTTZNZ-UHFFFAOYSA-N 324.332 3.845 5 1 DHBF biogenic,in-vitro Cc1c(O)ccc2c1oc(=O)c1cc(Br)ccc12 3987042 FTLWRBYUURZGIV-UHFFFAOYSA-N 305.127 3.723 5 1 DHBF C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 209658867 UFSZYKLBZJNXLV-WOJBJXKFSA-N 318.481 3.584 5 1 DHBF C[C@@H](SCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586960292 ATVNBCXPRMZBHS-SNVBAGLBSA-N 314.370 3.861 5 1 DHBF COc1ccc2c(c1)[nH]c1c3ccncc3cc(CNC(C)=O)c21 217045486 RJJPKHZEICLSQD-UHFFFAOYSA-N 319.364 3.514 5 1 DHBF COc1cc2c3c(ccc4cc(O)c(OC)c(c43)[C@H](OC)O2)c1 14651140 AANWCNXTRFBCBP-GOSISDBHSA-N 312.321 3.753 5 1 DHBF biogenic CC[C@@]12CCC[N@@+]([O-])(CC[C@]3(O)C(=Nc4ccccc43)CC1)C2 257405861 DJKWUXVCQNIASK-SFHLNBCPSA-N 314.429 3.649 5 1 DHBF endogenous,in-man O=[N+]([O-])c1cc(Br)cc2nc(C3=CCCC3)[nH]c12 586883908 MXDAZPQQBNTLFF-UHFFFAOYSA-N 308.135 3.801 5 1 DHBF O=C(c1cc(F)cc(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587279829 CLDVKFPVRCJDTA-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF CCCCn1c(=O)c2ccccc2c2cc(N(C)C(C)=O)ccc21 1772652332 IVQRDMFVQXWBNC-UHFFFAOYSA-N 322.408 3.938 5 1 DHBF Cc1ccc(C)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 587148959 NQMDYHQQJRGPNU-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF O=[N+]([O-])c1ccccc1Nc1nc2ccccc2n2cncc12 13441479 GNCPZGLEHUDZGT-UHFFFAOYSA-N 305.297 3.534 5 1 DHBF Cc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 587047058 AAXSGQBDEJJLFY-QPJJXVBHSA-N 314.732 3.998 5 1 DHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1Cl 587093720 ROESOZJAOGSYCI-WHFBIAKZSA-N 305.643 3.790 5 1 DHBF Cc1cc(C)c(N[S@@](=O)c2cccc([N+](=O)[O-])c2)c(C)c1 6484284 WXIPTMNGQMLYBN-OAQYLSRUSA-N 304.371 3.655 5 1 DHBF O=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc12 73224623 RBQHWKKGMVDAKR-UHFFFAOYSA-N 316.316 3.854 5 1 DHBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587152029 WRXJSHQBAYZKSJ-MRVPVSSYSA-N 319.267 3.889 5 1 DHBF O=C(Nc1ccccc1N1C=CC=CC=C1)c1ccc([N+](=O)[O-])o1 28960208 PJKUAPADAKZPKK-UHFFFAOYSA-N 323.308 3.844 5 1 DHBF Cc1c[nH]c(C)c1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 14945947 SSICQSAEGWZCOO-UHFFFAOYSA-N 309.329 3.740 5 1 DHBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C(=O)O)cccc12 587638603 SRFBJVLWZANVDP-UHFFFAOYSA-N 324.292 3.644 5 1 DHBF c1cnc2c(c1)c1nc(CCOCC3CC3)[nH]c1c1cccnc12 587783551 VAWAJXOPJIMLPS-UHFFFAOYSA-N 318.380 3.628 5 1 DHBF CC/N=c1/cc2oc3cc(N)c4ccccc4c3nc-2cc1C 29057782 MMMJUIFJKQGFMY-QNGOZBTKSA-N 303.365 3.897 5 1 DHBF O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)cc(O)c12 58506283 QRWMDRCBIDQARL-UHFFFAOYSA-N 317.344 3.966 5 1 DHBF COc1ccc(Cc2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])c1 587210744 GLVWJEIDHSGVFW-UHFFFAOYSA-N 320.348 3.841 5 1 DHBF Cc1c(-c2nc3ccc4ncccc4c3[nH]2)cccc1[N+](=O)[O-] 587260952 MPBMLLZHNJOQFL-UHFFFAOYSA-N 304.309 3.995 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3cc(F)c(F)c(F)c3[nH]2)c1 587269566 GCPMOLKVRXHQGC-UHFFFAOYSA-N 321.258 3.674 5 1 DHBF COc1ccc2[nH]c3c(C)c4cc[n+](C)c(N(C)C)c4cc3c2c1 28230767 KUCAFDQWCMGRJW-UHFFFAOYSA-O 320.416 3.682 5 1 DHBF COc1ccsc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280075 IIFOLQPIDVGRKD-UHFFFAOYSA-N 303.295 3.642 5 1 DHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1COc2ccccc21 587280514 YSEWHSWYKJBXIT-CYBMUJFWSA-N 309.277 3.700 5 1 DHBF O=[N+]([O-])c1ccc(-c2ncncc2-c2cc(F)cc(F)c2)o1 1772630715 MZZXNMNGBGOGIP-UHFFFAOYSA-N 303.224 3.590 5 1 DHBF COc1cc2oc3cccc(O)c3c(=O)c2c2c1OC(C)(C)C=C2 14768747 NONYNXXBCTWWDC-UHFFFAOYSA-N 324.332 3.845 5 1 DHBF biogenic COc1cnc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1Cl 587064430 BDXWRDIDVBBSBW-UHFFFAOYSA-N 318.720 3.504 5 1 DHBF COc1cccc([C@@H](C)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587933197 YYSOUTNSFRKIEC-NSHDSACASA-N 311.341 3.826 5 1 DHBF Cc1ccc(C2=NC(C)(C)N3[C@H]2[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 34288499 YATCIHIUWARHCF-GARIHTGFSA-N 321.380 3.868 5 3 DHBF CC(C(=O)OC[N+]1(C)CCCC1)(c1ccccc1)c1ccccc1 27548207 MCBPANZHPUFPHL-UHFFFAOYSA-N 324.444 3.734 5 1 DHBF O=[N+]([O-])c1cc2c(O)c(-c3cccs3)c(O)nc2cc1Cl 36185260 LPAUGHAEQVNVPI-UHFFFAOYSA-N 322.729 3.936 5 1 DHBF Cc1cccc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C 587564512 USXOMHFBMUSFAF-UHFFFAOYSA-N 315.304 3.806 5 1 DHBF CCCn1c(=O)c2c3occ(C)c3c(=O)oc2c2ccccc21 45358381 JAXAGUOMPZJSJD-UHFFFAOYSA-N 309.321 3.573 5 1 DHBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1F 586890601 RHIZXKBEOQDHGO-SGTLLEGYSA-N 323.327 3.982 5 1 DHBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587933297 VVKFTQXJLWCDBB-XIKOKIGWSA-N 323.352 3.925 5 1 DHBF COc1cc2ccc3cc(OC)c(O)c(OC)c3c2cc1OC 14650738 NKLWDBOIPPTFLM-UHFFFAOYSA-N 314.337 3.733 5 1 DHBF biogenic CCCOc1cccc2[nH]c3c(=O)oc4ccc(O)cc4c3c12 82152924 QMLNSBYTRQJUGQ-UHFFFAOYSA-N 309.321 3.922 5 1 DHBF COc1ccc2ccc3oc4cc(O)cc(O)c4c(=O)c3c2c1 14776373 ZFAGJQRGJIBDCJ-UHFFFAOYSA-N 308.289 3.519 5 1 DHBF biogenic Cc1ccnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 587139286 FUHFCLIHPGBLDZ-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF O=c1oc(OCC2CCCCC2)cc2ccc([N+](=O)[O-])cc12 40957665 ZCBKFJQHRREUSS-UHFFFAOYSA-N 303.314 3.660 5 1 DHBF CC1(C)C=Cc2c(cc3oc4cc(O)ccc4c(=O)c3c2O)O1 84758207 XCYFDMOOTOIGNY-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF O=C(c1c(-c2ccco2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587646621 YDQFWKSYBCZNMP-UHFFFAOYSA-N 306.224 3.784 5 1 DHBF Cc1ccc(C2=NCCCN=C2c2ccc([N+](=O)[O-])cc2)cc1 40835822 RAAZAMKULKNNAE-UHFFFAOYSA-N 307.353 3.585 5 1 DHBF O=C(O)C=Cc1cccc2c(Br)ccc([N+](=O)[O-])c12 2356817585 GTZPCRYZKCWNRU-UHFFFAOYSA-N 322.114 3.608 5 1 DHBF C[N+]1(Cc2ccccc2)CCC2(CC1)COC(=O)c1ccccc12 40651347 CJYSVOCPBKZFDV-UHFFFAOYSA-N 322.428 3.535 5 1 DHBF CC(C)NC(=N)c1ccc2nc3ccc4ccccc4n3c2c1 28869132 OBXWVZISQLMLEH-UHFFFAOYSA-N 302.381 3.964 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCC[C@@H]23)cc1C(F)(F)F 95579510 QQYJFVLDNICSNC-SKDRFNHKSA-N 314.263 3.907 5 1 DHBF O=[N+]([O-])c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587026678 WRORWGQWNLYHRX-UHFFFAOYSA-N 305.384 3.966 5 1 DHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C)c3[nH]2)c1 587261878 JLQDRYIILCPHDS-UHFFFAOYSA-N 311.341 3.709 5 1 DHBF CC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 34661064 NOTBRYDRAGBFHH-UHFFFAOYSA-N 322.472 3.943 5 1 DHBF O=[N+]([O-])c1ccc(-c2nc(/C=C/c3ccc(F)cc3)no2)cc1 72103475 BTYMMPMEWHHBHW-XCVCLJGOSA-N 311.272 3.954 5 1 DHBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 319961980 BDZVESWGWDZEFO-UHFFFAOYSA-N 305.240 3.740 5 1 DHBF O=[N+]([O-])c1cnc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587968049 SMLPKGNGPYLGRZ-UHFFFAOYSA-N 310.357 3.706 5 1 DHBF Cc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cccc1[N+](=O)[O-] 587261209 YUAULSZCXJMXDM-UHFFFAOYSA-N 322.246 3.860 5 1 DHBF O=[N+]([O-])c1cccc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2356856456 OUXDWRIVHNBVLH-UHFFFAOYSA-N 315.241 3.582 5 1 DHBF CCc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1 5886955 BHESGCXYMVULHF-UHFFFAOYSA-N 304.371 3.614 5 1 DHBF C[n+]1c2ccc(Cl)cc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21 28826837 LALBHBQAZVUOBQ-UHFFFAOYSA-O 312.736 3.860 5 1 DHBF O=[N+]([O-])c1cc(/C=C/c2nc3cnccc3[nH]2)ccc1Cl 587047829 OKLKSFNKTHISBG-DUXPYHPUSA-N 300.705 3.690 5 1 DHBF O=[N+]([O-])c1cccc(CCc2nc3ccc4ncccc4c3[nH]2)c1 587269316 ALGSDUGWHXTHIK-UHFFFAOYSA-N 318.336 3.805 5 1 DHBF c1ccc2c3c(N4CCOCC4)c4ccccc4oc-3nc2c1 95575401 UYYQLVHLIRDCDC-UHFFFAOYSA-N 304.349 3.922 5 1 DHBF COc1ccc([C@H](Cc2ccccc2[N+](=O)[O-])n2ccnc2)cc1 28245471 CMIQDOUQIJUFFE-SFHVURJKSA-N 323.352 3.632 5 1 DHBF C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 238750764 ZWAFAOHVIOVRQC-POGVZWABSA-N 324.424 3.691 5 1 DHBF CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(F)ccc12 587635223 FISHBZXPSRYCDH-UHFFFAOYSA-N 314.272 3.808 5 1 DHBF CC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 17224171 YBQWDYCLMNKQGB-FQEVSTJZSA-N 321.376 3.972 5 1 DHBF COc1ccc([C@H](Cc2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1 28242193 FMEDYFIQUNILSC-SFHVURJKSA-N 323.352 3.632 5 1 DHBF CC1(C)COc2c(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cccc21 586912851 WWVNUUZTCCAHHN-UHFFFAOYSA-N 309.325 3.808 5 1 DHBF CCN(CC)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 38820463 ZVPIWOHQWAWEKL-UHFFFAOYSA-N 321.377 3.963 5 1 DHBF Cc1ccc(CCOC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 45496479 UCIGCUXTOISUPM-UHFFFAOYSA-N 316.382 3.859 5 1 DHBF COc1ccc(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 66138649 DHLACTPJDRYQSU-UHFFFAOYSA-N 306.705 3.509 5 1 DHBF Cc1cnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047811 NXVZVCKHBDWLMF-HWKANZROSA-N 314.732 3.998 5 1 DHBF CC(C)(C)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2n1 587160570 WPUJOYURFYNTGG-UHFFFAOYSA-N 314.320 3.970 5 1 DHBF COc1ccc(C[C@@H]2c3sccc3CC[N+]2(C)C)cc1OC 13648621 QQPFWLSAGMRDMO-OAHLLOKOSA-N 318.462 3.682 5 1 DHBF O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4nc[nH]c4c3)s2)cc1 1911580979 XDPTUSJLOUHXKU-UHFFFAOYSA-N 323.337 3.657 5 1 DHBF O=C(c1ccc(F)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280369 VABXASTUBMUVCO-UHFFFAOYSA-N 303.220 3.850 5 1 DHBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCC[C@H]23)cc1C(F)(F)F 95578998 PHPKNJVMRNRLMZ-GZMMTYOYSA-N 300.236 3.517 5 1 DHBF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587951993 LDDUIPWFANLRJE-GYSYKLTISA-N 318.377 3.913 5 1 DHBF Nc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587095522 IUGBMQDOYLJARY-UHFFFAOYSA-N 322.246 3.739 5 1 DHBF O=[N+]([O-])c1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cs1 963104472 UNIGFVMCNWITSN-XJKSGUPXSA-N 318.373 3.905 5 1 DHBF CCOCc1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)o1 586903774 VCKWFBQJDQDLLG-UHFFFAOYSA-N 301.302 3.576 5 1 DHBF CCOc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279715 PGUSVTCOFFVGCW-UHFFFAOYSA-N 311.293 3.971 5 1 DHBF CCNCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C 205328600 RUXDPXFADDHGEP-UHFFFAOYSA-N 309.369 3.863 5 3 DHBF CCCC[C@@]1(C)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26580080 LAXITFAHFNQHPO-INIZCTEOSA-N 320.414 3.866 5 1 DHBF COC1CCC(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1 587280099 IZBXXOVDTUONJH-UHFFFAOYSA-N 303.314 3.729 5 1 DHBF CC(=O)O[C@H]1CCCC[C@@H]1[N+]1(C)CCC(c2ccccc2)CC1 28239567 FWAOTPDCPOLQQM-OMYXNUHHSA-N 316.465 3.885 5 1 DHBF Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c([N+](=O)[O-])cc3c12 29412207 RTDQMBGKQKSUII-UHFFFAOYSA-N 322.242 3.917 5 1 DHBF O=C1O/C(=C\c2ccc(Cl)cc2)c2c1cccc2[N+](=O)[O-] 34821281 IXQGWTINZVQQNL-JYRVWZFOSA-N 301.685 3.917 5 1 DHBF CC[C@H](C)c1ccc2[nH]c(C)c(Cn3cnc([N+](=O)[O-])n3)c2c1 587640438 AGUCAVZIYNYOFM-JTQLQIEISA-N 313.361 3.538 5 1 DHBF CCCCCCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21 1772582016 IMRDLCWJUJKLSB-UHFFFAOYSA-N 322.408 3.834 5 1 DHBF Cc1c2cc[n+](C[S@](C)=O)cc2c(C)c2c1[nH]c1ccccc12 26279750 SQRVRHCEKFOVLU-HSZRJFAPSA-O 323.441 3.715 5 1 DHBF C[C@H]1CN(c2cc(=O)c3ccc4ccccc4c3o2)C[C@H](C)O1 28117310 OVJCORVXSXXJLU-STQMWFEESA-N 309.365 3.560 5 1 DHBF CNc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587067294 SCNYZIWFRPYSPM-UHFFFAOYSA-N 320.711 3.972 5 1 DHBF NC1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 587256703 OCJGTAHMTTZXQX-UHFFFAOYSA-N 317.396 3.644 5 1 DHBF Cc1ccc(C2=CCN(C)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 203463492 UHFFHTHLRMLWGY-UHFFFAOYSA-N 323.352 3.816 5 3 DHBF C[C@H](c1ccccc1)N1CC(C(=O)O)=Cc2cc([N+](=O)[O-])ccc21 1772583026 XLMPHLLOUUYTRR-GFCCVEGCSA-N 324.336 3.644 5 1 DHBF CCOC(=O)[C@@H](CCc1cccc([N+](=O)[O-])c1)c1ccccc1 71296609 PSMJQQVLQKBCOY-KRWDZBQOSA-N 313.353 3.874 5 1 DHBF COc1cc(C2(c3nc4cccc([N+](=O)[O-])c4[nH]3)CC2)ccc1C 587926521 IMYFLAYHQWSFJQ-UHFFFAOYSA-N 323.352 3.868 5 1 DHBF Cc1oc(-c2nc3c(Br)cccc3[nH]2)cc1[N+](=O)[O-] 587269158 RAONFRHJQHLXTQ-UHFFFAOYSA-N 322.118 3.802 5 1 DHBF COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)cnc2cc1OC 3834037 FLEDIDSHIXDOQR-UHFFFAOYSA-N 310.309 3.827 5 1 DHBF in-vivo Cn1c2ccccc2c2c(NCCN)c3cc(Cl)ccc3nc21 84687185 LGNPSLURMDPACG-UHFFFAOYSA-N 324.815 3.904 5 1 DHBF O=[N+]([O-])c1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1 40938475 RURVNNOGVMGGHN-GXDHUFHOSA-N 323.757 3.606 5 1 DHBF O=C(c1cccc([N+](=O)[O-])c1)c1nccc2c1[nH]c1ccccc12 66073796 UFYOPWSUMPZJGD-UHFFFAOYSA-N 317.304 3.855 5 1 DHBF CCCCN[P@@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] 72122941 PDOTUFLYDWXBKU-OAQYLSRUSA-N 316.294 3.816 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)C(F)(F)F 587644748 BOZILXCTCWOLBH-UHFFFAOYSA-N 322.189 3.765 5 1 DHBF COc1cccc(C)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587787537 XGLXYBIIVDDNAI-UHFFFAOYSA-N 301.277 3.594 5 1 DHBF CCOc1ccc(C(=O)CN2C=C(C)C=C[C]2C)cc1[N+](=O)[O-] 2356861053 KQHDDOOATQODES-UHFFFAOYSA-N 315.349 3.504 5 1 DHBF COc1c(F)ccc(F)c1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587133396 VBNZWYWJXOFEDD-UHFFFAOYSA-N 319.267 3.733 5 1 DHBF COc1cccc(CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587930028 CIXLBPCRTUHMDA-UHFFFAOYSA-N 311.341 3.573 5 1 DHBF O=[N+]([O-])c1ccccc1Nc1nnc(-c2c[nH]c3ccccc23)o1 1772574147 KMBFUJJRYOMMRA-UHFFFAOYSA-N 321.296 3.870 5 1 DHBF CC[C@H]1C[N+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1CCO 38792859 GQHMLAHWHZYXRK-FGEHUHIKSA-N 313.465 3.640 5 1 DHBF O=[N+]([O-])c1cc(-c2cn3c(n2)sc2ccccc23)ccc1O 27307797 YUWYJESCMLNYFB-UHFFFAOYSA-N 311.322 3.830 5 1 DHBF O=[N+]([O-])c1ccc(-c2ccc3c(c2)SN2CCCN=C32)cc1 299869697 VERVHTVWYAIQEF-UHFFFAOYSA-N 311.366 3.735 5 1 DHBF O=C(c1cc(F)c(F)c(F)c1[N+](=O)[O-])c1coc2ccccc12 587280944 JQNOSYRHERXTSP-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF O=[N+]([O-])c1ccc2ncnc(Nc3ccccc3Cl)c2c1 205942507 DBLULGWEQBKHBP-UHFFFAOYSA-N 300.705 3.935 5 1 DHBF CC(=O)Oc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645449 BHOMUCSSELYMIA-UHFFFAOYSA-N 314.272 3.808 5 1 DHBF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587646808 KNMWULJCVNKTKZ-UHFFFAOYSA-N 319.361 3.663 5 1 DHBF O=C(Cc1ccccc1)Nc1ccc2nc3ccccc3nc2c1 96935018 RUESRDDRMSWXLF-UHFFFAOYSA-N 313.360 3.964 5 1 DHBF Cn1c2ccccc2c2c(NCCCN)nc3ccccc3c21 169309471 KQQYDUUIPHLQRA-UHFFFAOYSA-N 304.397 3.640 5 1 DHBF Cc1nccc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048451 VXQJWOVYKVGRKU-HWKANZROSA-N 314.732 3.998 5 1 DHBF Cc1cc(O)c2c(c1)cc(O)c1c(O)c3c(O)cccc3c(O)c12 62611518 QJAAWKOYOVZDJF-UHFFFAOYSA-N 322.316 3.983 5 1 DHBF in-vitro O=C(c1c(F)cc(F)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587280205 NXHRYTPCUWOBBV-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF COc1c2c(cc3c(=O)c4ccc(O)cc4oc13)OC(C)(C)C=C2 96928333 VDGAJTXECCMWHR-UHFFFAOYSA-N 324.332 3.845 5 1 DHBF CNc1cc(Cl)ccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587066662 QGCLYHIZJJCZOM-UHFFFAOYSA-N 302.721 3.833 5 1 DHBF Cc1cc2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2cc1[N+](=O)[O-] 587175604 VXDFPGYTHQOMGK-UHFFFAOYSA-N 324.315 3.991 5 1 DHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1[N+](=O)[O-])O2 587388472 CNWKJMFYPMFOAT-MRXNPFEDSA-N 312.325 3.500 5 1 DHBF CC1(C)C=Cc2c(cc(O)c3c2oc(=O)c2c(O)cccc23)O1 5734354 OMSIAYZTDAHRCK-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic Cc1nccc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 587139356 IGMLDCBNMXRCRV-UHFFFAOYSA-N 306.684 3.634 5 1 DHBF CC(=O)c1nc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1 1772634065 VZPOEXJUGGDHNN-UHFFFAOYSA-N 316.310 3.683 5 1 DHBF C[C@@]12C[C@@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H](O1)c1ccccc1N2 16921559 YIKIVCPEROTXPQ-RANZSIQMSA-N 310.353 3.719 5 1 DHBF biogenic CN(C)[C@@]12C[C@H]3C[C@@](F)(C[C@@H](C1)c1cc([N+](=O)[O-])ccc13)C2 299831913 JHAHUCUALWFLOX-AWBCAMRRSA-N 304.365 3.762 5 1 DHBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586888217 JGRPTWMELUDGMO-BDJLRTHQSA-N 311.341 3.617 5 1 DHBF C[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275315 BVECHUAFBNELLX-JTQLQIEISA-N 313.361 3.574 5 1 DHBF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C2 12436529 VZBJKOLKZKRUSB-IFIJOSMWSA-N 303.358 3.966 5 1 DHBF CCN1C(=O)c2cc(OC)c(OC)c3c2c1cc1ccccc13 40401401 DNEALWRELHDCDH-UHFFFAOYSA-N 307.349 3.990 5 1 DHBF C[C@@H]1CCc2sc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2C1 587034168 PXCKLHOLCZIPDK-MRVPVSSYSA-N 314.370 3.719 5 1 DHBF O=[N+]([O-])c1cnc2c(c1)Sc1cc(Br)ccc1N2 1857749412 UKLCMHXRDBSBCP-UHFFFAOYSA-N 324.159 3.961 5 1 DHBF O=c1c2ccccc2oc2cccc(NCCN3CCCCC3)c12 28528124 VCSVJRZGZOFGRY-UHFFFAOYSA-N 322.408 3.844 5 1 DHBF O=C(O)c1cn(C2CC2)c2sc3c4ccccc4[nH]c3c2c1=O 71317261 GNHPSTUWHNBLPB-UHFFFAOYSA-N 324.361 3.731 5 1 DHBF O=c1cc2oc3ccc4c(c3nc-2c2cccnc12)CCCC4 36475996 FTIWBLQXCWLUIU-UHFFFAOYSA-N 302.333 3.720 5 1 DHBF O=[N+]([O-])c1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1[N+](=O)[O-] 586902169 UXUPOJIOMUBYHJ-UHFFFAOYSA-N 314.257 3.517 5 1 DHBF COCc1c(Cc2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645904 OBXFZGNKDYEPGB-UHFFFAOYSA-N 314.316 3.952 5 1 DHBF CN1c2ccccc2Cc2ccn3c(=O)c4ccccc4nc3c21 15211799 ANGXHCZQCXWJJQ-UHFFFAOYSA-N 313.360 3.520 5 1 DHBF biogenic,in-vitro O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCC[C@H]23)c(C(F)(F)F)c1 95572087 RIYAZEGHCJEQPR-CMPLNLGQSA-N 314.263 3.907 5 1 DHBF CC[C@H](Oc1ccccc1F)c1nc2cncc([N+](=O)[O-])c2[nH]1 587156235 QYNSURRDWCDBSD-LBPRGKRZSA-N 316.292 3.535 5 1 DHBF FC(F)(F)OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587126136 VURXBZVPLBVUHQ-UHFFFAOYSA-N 318.258 3.696 5 1 DHBF Cc1c(-c2nc3c(C)cnc(Cl)c3[nH]2)cccc1[N+](=O)[O-] 587261175 XJOCJFLXFAWPKG-UHFFFAOYSA-N 302.721 3.803 5 1 DHBF O=[N+]([O-])c1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1 12942828 PYXDRZFBVIZYFW-UHFFFAOYSA-N 305.293 3.768 5 1 DHBF CC1(C)C=Cc2ccc3c(=O)c4c(O)ccc(O)c4oc3c2O1 238773076 JOGSSASAVYQWRN-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1F 587645580 DJTYOVBWOZAUBU-UHFFFAOYSA-N 313.288 3.776 5 1 DHBF COc1cccc([C@H](C)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587932814 VXPJDXBXLFQJRC-LLVKDONJSA-N 311.341 3.826 5 1 DHBF COc1cc2ccc3cc(OC)c(OC)c4c(=O)oc(c1)c2c34 14817712 ZBBHTBIRNVVUPN-UHFFFAOYSA-N 310.305 3.563 5 1 DHBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)cc1[N+](=O)[O-])O2 587390880 SGVHGMMLHQWTRP-INIZCTEOSA-N 312.325 3.500 5 1 DHBF C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 238746357 PRGKEDSKPDIDRJ-RTRYERLHSA-N 323.460 3.823 5 1 DHBF Cn1c2c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3nc-2cc2ccccc21 377815856 JOQVYLSPQOSKCE-UHFFFAOYSA-N 322.280 3.648 5 1 DHBF Cc1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1[N+](=O)[O-] 587031899 NHQQODAXCNCELG-UHFFFAOYSA-N 315.354 3.581 5 1 DHBF COc1cc(C)c2c(=O)c3c(O)c(Cl)c(OC)cc3oc2c1 13386757 MDGIQNQUOXZRIT-UHFFFAOYSA-N 320.728 3.631 5 1 DHBF biogenic O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023810 PMLPBNSWHAPJAP-UHFFFAOYSA-N 323.337 3.657 5 1 DHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1F 586890599 RHIZXKBEOQDHGO-KZULUSFZSA-N 323.327 3.982 5 1 DHBF Cc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F 587133438 XEYXKFQFIFCOEU-UHFFFAOYSA-N 307.231 3.864 5 1 DHBF O=[N+]([O-])c1ccccc1-c1nnc(SCc2ccccc2)o1 71258608 IYVWYIATVWHVEH-UHFFFAOYSA-N 313.338 3.937 5 1 DHBF CC(C)=CCc1c(O)ccc2oc3cc(O)cc(O)c3c(=O)c12 14819785 QFVPVZIXCWJODC-UHFFFAOYSA-N 312.321 3.572 5 1 DHBF biogenic CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)nc(=O)c2ccccc21 27651137 YBFWJYLTOJMSRW-UHFFFAOYSA-N 309.325 3.553 5 1 DHBF CCc1cccc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45357664 OCNYLKSGSLFCSE-UHFFFAOYSA-N 315.329 3.815 5 1 DHBF CC(C)Oc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 95573004 QSSWBNDNRKTJRM-UHFFFAOYSA-N 311.341 3.780 5 1 DHBF O=C(Oc1cccc2[nH]c3ccccc3c(=O)c12)c1ccccc1 58511901 NNHIZTXJVISQQS-UHFFFAOYSA-N 315.328 3.901 5 1 DHBF O=[N+]([O-])c1ccc2c(c1)Cc1c(nc3cccc4c3c1CC4)CC2 587210964 IXIMVDZVTGTYOJ-UHFFFAOYSA-N 316.360 3.931 5 1 DHBF Cc1cc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc32)o1 27554523 QZNIOTJWUIPFBR-UHFFFAOYSA-N 308.289 3.628 5 1 DHBF Cc1[nH]c2c(C(=O)O)cccc2c1Oc1ccccc1[N+](=O)[O-] 587638149 LTHIGXHLMWCGES-UHFFFAOYSA-N 312.281 3.875 5 1 DHBF O=[N+]([O-])c1cccc(-c2cc(NCc3cccs3)ncn2)c1 82160208 XOSVPAFULAYMHY-UHFFFAOYSA-N 312.354 3.725 5 1 DHBF CO[P@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 28262600 BUIUQBWAKOIBPM-OAQYLSRUSA-N 309.214 3.807 5 1 DHBF O=[N+]([O-])c1ccc(SCc2ccc(F)cc2)c2nonc12 96933897 FMTOABVHURAUAU-UHFFFAOYSA-N 305.290 3.562 5 1 DHBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2cc1F 587130622 NDRMRCQGVDTMAO-UHFFFAOYSA-N 323.230 3.879 5 1 DHBF Nc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2c1 587252194 SRGCAEAKKCUXRK-UHFFFAOYSA-N 304.309 3.874 5 1 DHBF COc1cc2c(cc1F)ncc1c(N)nc3c(C)c(N)ccc3c12 14969837 KDEAGNIOURUUBW-UHFFFAOYSA-N 322.343 3.557 5 1 DHBF CC(C)c1ccc2sc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1 29487822 SNJGCCPGCJRCQS-UHFFFAOYSA-N 322.393 3.718 5 1 DHBF CCc1cccc(CC)c1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13776994 AHNNLFWXWMJVKT-UHFFFAOYSA-N 324.336 3.520 5 1 DHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(F)cc3[nH]2)o1 587266363 ZTICTKOOEIENOJ-UHFFFAOYSA-N 324.271 3.932 5 1 DHBF C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@H]1CCC2=O 254135201 WNYWRAYXFFPPGN-JCTQEILZSA-N 315.369 3.726 5 3 DHBF O=C(O)c1ccc2c(c1)nc(NC1CCCC1)c1ccncc12 66111750 HZCSCUKAMMCAOR-UHFFFAOYSA-N 307.353 3.836 5 1 DHBF CCN(CC)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 169321064 SITJGYKHDHKNSJ-UHFFFAOYSA-N 314.341 3.660 5 1 DHBF CC1(C)C=Cc2cc3c(=O)c4c(O)cccc4oc3c(O)c2O1 15217370 LDJKLVIJEDDQDJ-UHFFFAOYSA-N 310.305 3.542 5 1 DHBF biogenic,in-vitro O=[N+]([O-])c1cccc(-c2cc(N[C@H]3C[C@@H]4CC[C@H]3C4)ncn2)c1 82161887 HWTJSZHSIIPQQQ-FFSVYQOJSA-N 310.357 3.652 5 1 DHBF Cc1nn(C(C)C)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279926 VAJQBYJSWPHYRG-UHFFFAOYSA-N 313.313 3.658 5 1 DHBF C=C(NC(C)=O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587204034 UQJQPFYZHMBQSB-UHFFFAOYSA-N 301.349 3.976 5 1 DHBF O=C(O)Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-] 26392879 ZNDDMLHQJWISLG-UHFFFAOYSA-N 307.689 3.668 5 1 DHBF O=C(O)Cc1c(-c2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645726 IWAAIOYDOXVDFL-UHFFFAOYSA-N 314.272 3.509 5 1 DHBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2s1 5519578 XGXUFSQHOMIUGD-UHFFFAOYSA-N 314.326 3.849 5 1 DHBF CN1Cc2sc([N+](=O)[O-])cc2[C@H](c2ccc(Cl)cc2)C1 38157524 SDNPRNXXGOCLPR-LBPRGKRZSA-N 308.790 3.887 5 1 DHBF CC(C)C[C@H](O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586901074 ODQIHYNJCWOPFK-ZDUSSCGKSA-N 306.369 3.739 5 1 DHBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(-c3cnccn3)c12 587645374 SMVPUALXINGYFY-UHFFFAOYSA-N 308.219 3.552 5 1 DHBF CCn1c2nc(-c3ccccc3)nc(=O)c-2cc2cc(C)ccc21 28640390 JGVVYPOTZZJGDQ-UHFFFAOYSA-N 315.376 3.892 5 1 DHBF Cn1c2c(O)cccc2c(=O)c2ccc3c(c21)C=CC(C)(C)O3 2356511186 AOIVKCXYMQQKEB-UHFFFAOYSA-N 307.349 3.582 5 1 DHBF O=[N+]([O-])c1cccc(-c2cc(N[C@@H]3C[C@@H]4CC[C@H]3C4)ncn2)c1 82161885 HWTJSZHSIIPQQQ-PVXIVEMSSA-N 310.357 3.652 5 1 DHBF C[N+]1(CN=S(=O)(c2ccccc2)c2ccccc2)CCCC1 34778460 HVMFYOIOLNAWNH-UHFFFAOYSA-N 315.462 3.771 5 1 DHBF COc1cc2c(cc1C)c(O)cc1cc(C)c(=O)c(OC)cc12 238788557 WAKJQVOPGGGUCG-UHFFFAOYSA-N 310.349 3.693 5 1 DHBF O=C(c1ccnc(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587280303 RSHBEDMRJQGEPC-UHFFFAOYSA-N 302.673 3.620 5 1 DHBF O=[N+]([O-])c1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cs1 963104470 UNIGFVMCNWITSN-CJNGLKHVSA-N 318.373 3.905 5 1 DHBF O=[N+]([O-])c1ccccc1O[C@H](Cn1ccnc1)c1ccccc1 49808647 FSZJKMKVJYFMFD-QGZVFWFLSA-N 309.325 3.612 5 1 DHBF COc1cc(-c2cc3c4c(cccc4n2)CC3)cc([N+](=O)[O-])c1O 587210753 GUYBOEOFFUPIAJ-UHFFFAOYSA-N 322.320 3.623 5 1 DHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@H](C)c1ccccc1 587647484 ZGMIWQOYAVINNQ-LLVKDONJSA-N 323.352 3.876 5 1 DHBF COc1cccc2c1cc1c3c(cc4c(c32)OCO4)CCN1C 5966913 WQXYOCWRQTXKCI-UHFFFAOYSA-N 307.349 3.723 5 1 DHBF biogenic CCN(CC)Cc1nc2c(ccc3oc4ccccc4c(=O)c32)[nH]1 29056684 ZQULWWKFRSVTKT-UHFFFAOYSA-N 321.380 3.664 5 1 DHBF c1ccc2c(c1)c1ccccc1c1[nH]c(C[C@@H]3COCCO3)nc21 586909833 JIAPHPSAYRCFIS-CYBMUJFWSA-N 318.376 3.827 5 1 DHBF C=C(c1ccccc1OCc1ccc([N+](=O)[O-])cc1)n1ccnc1 28765954 RRFCLKRFYXRJJP-UHFFFAOYSA-N 321.336 3.889 5 1 DHBF O=[N+]([O-])c1ccc2c(-n3ccnc3)c(-c3ccccc3)[nH]c2c1 587647986 XCFONFYEUYMCPC-UHFFFAOYSA-N 304.309 3.929 5 1 DHBF O=[N+]([O-])c1cc(/C=C\c2nc3cnccc3[nH]2)ccc1Cl 587047830 OKLKSFNKTHISBG-RQOWECAXSA-N 300.705 3.690 5 1 DHBF CCCCCNC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 653721391 IMOXMJNGCYXEBQ-UHFFFAOYSA-N 308.363 3.516 5 1 DHBF Cc1cc2[nH]c(CCOCc3ccccc3)nc2cc1[N+](=O)[O-] 587566306 FVFKSMFOHLSDDD-UHFFFAOYSA-N 311.341 3.539 5 1 DHBF COc1cccc([C@H](C)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587933196 YYSOUTNSFRKIEC-LLVKDONJSA-N 311.341 3.826 5 1 DHBF Cc1cc2[nH]c(C3(c4ccccc4O)CC3)nc2cc1[N+](=O)[O-] 586896682 IKCWHHCCMMXOHX-UHFFFAOYSA-N 309.325 3.565 5 1 DHBF CC[C@@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586914498 WAHQVSJBVCYUKI-SDBXPKJASA-N 309.753 3.797 5 1 DHBF O=C(c1c(F)ccc(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280267 QMVZRMNANIHCQE-UHFFFAOYSA-N 321.210 3.989 5 1 DHBF O=C(O)c1cnc2sccc2c1Nc1cccc([N+](=O)[O-])c1 40845660 QPKLOECROMWGJR-UHFFFAOYSA-N 315.310 3.646 5 1 DHBF O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)C=C1Cc1ccccc1 103210806 HGEJZYYCCMVMBA-BOPFTXTBSA-N 307.305 3.662 5 1 DHBF COc1ccc2c(O)c3c4c(cc(OC)c5oc1c2c54)CCN3C 238786830 MLBFWLHQNCGZAK-UHFFFAOYSA-N 323.348 3.892 5 1 DHBF Fc1cncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587177061 MYRXGRXRLLALCS-UHFFFAOYSA-N 315.311 3.860 5 1 DHBF