smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[N+]1=C(/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21 8614632 BFBZPTVSYPOFDK-RAXLEYEMSA-N 307.373 4.314 5 40 DIBB CCCNC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408974928 FZZZZMAHGPKNDZ-UHFFFAOYSA-N 321.405 4.138 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1cccnc1 159284 ODRJICASRBFRPR-UHFFFAOYSA-N 318.638 4.454 5 40 DIBB O=C1CCCC[C@H]1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 339734 WRXAQOILZIHGFF-GFCCVEGCSA-N 319.304 4.217 5 40 DIBB Cn1cc(/C=C/[N+](=O)[O-])c2ccc(OCc3ccccc3)cc21 1849855 AJVIIUYASUNPSQ-MDZDMXLPSA-N 308.337 4.005 5 40 DIBB CC(=O)c1c(C)nc2cc3nc(C)c(C(C)=O)c(C)c3cc2c1C 3845028 CZAXAZVZGNYFHJ-UHFFFAOYSA-N 320.392 4.422 5 40 DIBB biogenic O=[N+]([O-])c1ccc(N2COc3ccc4ccccc4c3C2)cc1 3892247 RHTOWZJXOHGMDL-UHFFFAOYSA-N 306.321 4.105 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 59351124 GOJJDLATKBQXKG-CQSZACIVSA-N 312.369 4.011 5 40 DIBB O=[N+]([O-])c1ccc(NC[C@H]2CCc3ccccc32)c2ccncc12 521369115 GSNUAXZNYDKHMN-CQSZACIVSA-N 319.364 4.285 5 40 DIBB O=C(c1ccc2c(c1)CCC2)c1cc2cc([N+](=O)[O-])ccc2o1 72305677 ZZSRUHROQKHGLJ-UHFFFAOYSA-N 307.305 4.061 5 40 DIBB Nc1c(-c2ccc(C(F)(F)F)cc2)cc(F)cc1[N+](=O)[O-] 498051123 UVBPEZSDHRBEPQ-UHFFFAOYSA-N 300.211 4.002 5 40 DIBB S=C(Nc1ccc2cc3ccccc3nc2c1)N1CCCC1 7098841 BJLKVADKPPXXRB-UHFFFAOYSA-N 307.422 4.181 5 40 DIBB O=c1oc2ccccc2c(Nc2ccccc2Cl)c1[N+](=O)[O-] 9070039 KMIQBKKTABAEFN-UHFFFAOYSA-N 316.700 4.098 5 40 DIBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)c[nH]c1=S 26423060 RTNJRWGIPZJJTA-UHFFFAOYSA-N 311.366 4.419 5 40 DIBB CCc1ccc([C@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)o1 95409768 UMKZXDQUECSXDF-HNNXBMFYSA-N 303.362 4.345 5 40 DIBB Cc1cc2cc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc2[nH]1 40072699 HWUBMDBUJCXVNC-VMPITWQZSA-N 321.336 4.036 5 40 DIBB O=C(Nc1cccc(Cl)c1)c1coc2ccc([N+](=O)[O-])cc12 408965099 GNIHSBATWUEYPW-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB CC[C@@]1(C)c2c(cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])C(C)(C)[C@H]1C 1747518 NRAOOQZZUHKVMH-QLJPJBMISA-N 306.362 4.406 5 40 DIBB C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 5059048 RXSRTQHDEVILRE-JTQLQIEISA-N 305.717 4.166 5 40 DIBB Cc1ccc(-c2csc(-c3ccccc3O)n2)cc1[N+](=O)[O-] 84190232 QXONACARGBXJDW-UHFFFAOYSA-N 312.350 4.399 5 40 DIBB O=C(Nc1ccccc1)Nc1cc2cccnc2c2cccnc12 408977543 WOIAVEUINOGCHK-UHFFFAOYSA-N 314.348 4.427 5 40 DIBB O=C(Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 258993 LPEYUZMZWUJNCP-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB Cc1ccc([N+](=O)[O-])c(OC(=O)Nc2ccccc2Cl)c1 1640182 QUCVLWHCAJRSLL-UHFFFAOYSA-N 306.705 4.168 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(CSc2nc3ccccc3[nH]2)c1 4576473 PRQHYPGIKKXHMC-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Cl 73639490 BCANNFWBCNXHSK-UHFFFAOYSA-N 318.716 4.373 5 40 DIBB O=[N+]([O-])c1ccc([C@@H]2N(c3ccccc3)C2(Cl)Cl)cc1 5390970 BLRTZVFCKAXKLM-CWQZNGJJSA-N 309.152 4.288 5 40 DIBB CC[C@]1(C)c2c(cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])C(C)(C)[C@H]1C 1747521 NRAOOQZZUHKVMH-HWPZZCPQSA-N 306.362 4.406 5 40 DIBB O=[N+]([O-])c1ccc(N2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 4363333 IYKADAZSWAECEO-CWQZNGJJSA-N 309.152 4.288 5 40 DIBB O=[N+]([O-])c1cccc([C@@H]2NN=C3/C(=C/c4ccco4)CCC[C@@H]32)c1 5119912 WEGBXOIQAUTKCU-XJFGHQHYSA-N 323.352 4.072 5 40 DIBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 5967029 WITRDGZMLNTVMD-JTQLQIEISA-N 305.717 4.166 5 40 DIBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 48345329 OJPFIPYTKPEWAI-UHFFFAOYSA-N 310.806 4.332 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 74363960 WLKJEHNDVOWVAR-NSHDSACASA-N 318.760 4.048 5 40 DIBB C[C@H]1CCC[C@H](C)N1c1ccc([N+](=O)[O-])cc1Br 226316785 GBURJHOKKIQHLW-UWVGGRQHSA-N 313.195 4.125 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCCCC1)O2 257291536 QHJYXAZUWBZJOL-GOEBONIOSA-N 303.358 4.158 5 40 DIBB CO[C@@H]1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1 776 PDYOTUCJOLELJU-CQSZACIVSA-N 320.503 4.107 5 40 DIBB in-man CCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 9141743 PDUZMSXDVGHOEU-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB CC[C@@H](C)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 5662756 XCAIJJDZYMAENC-CYBMUJFWSA-N 312.369 4.290 5 40 DIBB CC[C@H](CO)Nc1nc2ccc(Cl)cc2c2ccccc12 29589901 SFWJGPYRSHHELS-GFCCVEGCSA-N 300.789 4.224 5 40 DIBB CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 4294140 RIKGYMHBYLLACQ-VMPITWQZSA-N 321.716 4.085 5 40 DIBB Cc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] 23151938 FTKSEZLSXNRWDR-GOSISDBHSA-N 324.380 4.053 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 59351128 LYJYULYQNVNLFD-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)Cc1ccccc1-2 196197179 OROMVMPQRSNICD-UHFFFAOYSA-N 315.328 4.397 5 40 DIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 217863014 SWVIYKKHZVKAQP-QGZVFWFLSA-N 312.369 4.093 5 40 DIBB Cc1c2c(cc3c1ccc1ccccc13)C[N+]1(CCOCC1)C2 2326921 SMNQHWPIXWJYMM-UHFFFAOYSA-N 304.413 4.162 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C 59351165 RDFYDJCBABSGNO-XKOZXHHJSA-N 324.380 4.102 5 40 DIBB Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 14573618 OCYYWKITPRZKSX-SHQCLWGWSA-N 324.380 4.102 5 40 DIBB Cc1ccc(C)c([C@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c1 33040338 BPPMZXHCVCLOMF-ZDUSSCGKSA-N 313.357 4.094 5 40 DIBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ncnc2ccsc12 24717228 MKJLOIQYOOFRCB-UHFFFAOYSA-N 307.718 4.045 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1Nc1nc(-c2cccnc2)cs1 66351986 SDDODIFTQFSODB-UHFFFAOYSA-N 312.354 4.165 5 40 DIBB Cc1cc([C@@H](O)c2c(C)ccc3ccccc23)ccc1[N+](=O)[O-] 226294650 GVYWPIVWGQQHFP-LJQANCHMSA-N 307.349 4.447 5 40 DIBB O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2Cc2ccccc2)c1 26423074 HKCOHNLIPUUJTE-UHFFFAOYSA-N 311.366 4.169 5 40 DIBB Cc1ccc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 30755852 KWVAXHPRPYVNNC-UHFFFAOYSA-N 318.760 4.046 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2 84654585 YLFOKDQDWWSPHW-UHFFFAOYSA-N 306.318 4.151 5 40 DIBB C[N+]1(C[C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)CCCCC1 4029912 VOCKPMDIHQHJAT-ZGXWSNOMSA-N 304.498 4.301 5 40 DIBB COC(=O)[C@@H]1CCCN1Cc1cc2ccccc2c2ccccc12 4901063 AGDCNSCUNZTZLX-FQEVSTJZSA-N 319.404 4.130 5 40 DIBB O=[N+]([O-])c1ncccc1OC(c1ccccc1)c1ccccc1 18532602 NHAXOVMPIPGRBB-UHFFFAOYSA-N 306.321 4.158 5 40 DIBB COc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1[N+](=O)[O-] 226294367 UHVKFGJNKZCNCV-UHFFFAOYSA-N 321.332 4.296 5 40 DIBB O=c1cc(CN2CCCCCC2)c2c(ccc3ccccc32)o1 545270 HUNRIIUQSDZAKR-UHFFFAOYSA-N 307.393 4.322 5 40 DIBB biogenic CCCC[C@H](CC)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 5793173 UZFTWUKDIFLXBZ-JTQLQIEISA-N 321.402 4.359 5 40 DIBB Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 370574 HVBRHHDYBDJWDH-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB O=Cc1c2[nH]c3ccc(O)cc3c2cc2[nH]c3ccccc3c12 77291765 HGKLUBYTXRQWNO-UHFFFAOYSA-N 300.317 4.474 5 40 DIBB in-vitro O=C(c1ccccc1)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 8165175 XECMXCGEKZRBRJ-UHFFFAOYSA-N 322.320 4.031 5 40 DIBB COc1ccc([N+](=O)[O-])cc1NCc1ccc(C(C)C)cc1 8192775 XQADTSGXWHQLTR-UHFFFAOYSA-N 300.358 4.339 5 40 DIBB O=C(Sc1cccc2ncccc12)c1ccc([N+](=O)[O-])cc1 35340 UCVMKLQSYNOQPB-UHFFFAOYSA-N 310.334 4.076 5 40 DIBB Cc1ccc(C(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-] 3261712 ZSHIRRGRNASREG-UHFFFAOYSA-N 320.348 4.351 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1 7738413 QSMISRKPVNBOFU-UHFFFAOYSA-N 308.124 4.445 5 40 DIBB Cc1noc(/C=C/c2ccc(OCC(C)C)cc2)c1[N+](=O)[O-] 408541807 FXFVBSNHBCIKHW-RMKNXTFCSA-N 302.330 4.096 5 40 DIBB CCN(CC)c1ccc2c(c1)oc(=O)c1cc3ccccc3nc12 5005031 ZVYHNWNHJNENQW-UHFFFAOYSA-N 318.376 4.341 5 40 DIBB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 36644347 RFPKBFAJGFGVSY-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(Cl)c1 1717006 ANVKALZHONPNAP-UHFFFAOYSA-N 307.733 4.096 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)Nc1ccccc1 6275726 AJPLJYNJXGSDFH-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])s1 5603680 HPMDHXODEJYNJQ-IJLUTSLNSA-N 311.403 4.274 5 40 DIBB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 13648411 QKGDFLQTNMIPLA-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB CC(=O)c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 3273634 HFPJRSCTGZSWLM-UHFFFAOYSA-N 305.717 4.030 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]12 106588568 YENWMUFPFCZVBN-GFEQUFNTSA-N 306.514 4.259 5 40 DIBB CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(C)c1 9095383 CFNIYWAGGCDGSV-UHFFFAOYSA-N 312.369 4.268 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 57352413 MMZGYWJDPXSKOG-UHFFFAOYSA-N 308.124 4.445 5 40 DIBB O=[N+]([O-])c1ccccc1OCc1csc(-c2ccccc2)n1 5109108 ALOVXHUPYZKONP-UHFFFAOYSA-N 312.350 4.297 5 40 DIBB C[N+]1=C(/C=C\c2cccc([N+](=O)[O-])c2)C(C)(C)c2ccccc21 8614631 KWEPGDPPUHPCLM-QXMHVHEDSA-N 307.373 4.314 5 40 DIBB CC[C@@H](C)Oc1ccccc1/C=C\c1onc(C)c1[N+](=O)[O-] 408541946 GTHSTSPYXGDTNW-DWOQACPDSA-N 302.330 4.239 5 40 DIBB Cc1c(NC(=O)CCSc2ccccc2)cccc1[N+](=O)[O-] 8268159 QPIDWSPSUSWVEX-UHFFFAOYSA-N 316.382 4.024 5 40 DIBB Cc1cccc(C(=O)N2CCC3(CCCCCC3)C2)c1[N+](=O)[O-] 75106166 UKWJEKVYBJJPGU-UHFFFAOYSA-N 316.401 4.090 5 40 DIBB O=C(Nc1ccccc1)Nc1cc2ncccc2c2cccnc12 408975584 NMAACTABFGYMGA-UHFFFAOYSA-N 314.348 4.427 5 40 DIBB CCCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 45125310 MVNLCVOEBMHQHH-KGLIPLIRSA-N 321.421 4.266 5 40 DIBB Cc1ccc(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 9690402 CSEWMTRNZGJIDZ-CYBMUJFWSA-N 313.357 4.128 5 40 DIBB Cc1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 78431698 FXWXBUJYZGKRHG-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CCN(CC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923131 FOJXCCHGAVPNSS-NBVRZTHBSA-N 324.380 4.004 5 40 DIBB CC[C@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408923332 WABZSJHCSCGANL-RAOBZKRQSA-N 324.380 4.050 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@H]21 2156578 YENWMUFPFCZVBN-MTHXSQLBSA-N 306.514 4.259 5 40 DIBB O=[N+]([O-])c1ccc2oc(-c3ccccc3Br)nc2c1 5946141 ZSCCZHZQMDLONH-UHFFFAOYSA-N 319.114 4.166 5 40 DIBB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 513682 YEQLEKLSKNYTER-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB Cc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2)c1C 4300441 WGAGEKXHRFHAMS-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB C[C@@H](OC(=S)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 5739282 UDGRWCAZNFIMRD-LLVKDONJSA-N 302.355 4.069 5 40 DIBB CCc1ccc(OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 13137550 AHXPQPUXUQOADH-UHFFFAOYSA-N 317.366 4.098 5 40 DIBB O=[N+]([O-])c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 226248637 SOBNGMIPEOQXFS-UHFFFAOYSA-N 310.643 4.335 5 40 DIBB COc1ccc(CN2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] 51853008 NNMNQLSECSNTMH-AWEZNQCLSA-N 318.398 4.002 5 40 DIBB C[C@H]1CCC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1Br 226316780 GBURJHOKKIQHLW-AOOOYVTPSA-N 313.195 4.125 5 40 DIBB C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 12557486 XTXMAHDRBUJJSY-LLVKDONJSA-N 311.316 4.455 5 40 DIBB CC1CCN(C(=O)Nc2cc3ccncc3c3ncccc23)CC1 408976579 RPOUIGAVTGXIDF-UHFFFAOYSA-N 320.396 4.047 5 40 DIBB Cc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c(C)c1 197717771 SUVRUDSKHXQVLC-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 15566063 OTWKNYQNJYTSDV-UHFFFAOYSA-N 308.293 4.138 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)Sc1ccc([N+](=O)[O-])cc1S2 4666746 AYWQEIJJQYDOER-UHFFFAOYSA-N 306.324 4.119 5 40 DIBB O=[N+]([O-])c1ccc(-c2csc(NCc3ccccc3)n2)cc1 4699559 YFUWYQNPBXGTAW-UHFFFAOYSA-N 311.366 4.330 5 40 DIBB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])s1 250244 BHTGVSCPLOCDPC-UHFFFAOYSA-N 317.153 4.215 5 40 DIBB CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774799 XYWDBKTVACZSES-UHFFFAOYSA-N 322.368 4.417 5 40 DIBB CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 7792560 ZMDRSBHQCSMXAB-PEKVBPLLSA-N 324.380 4.184 5 40 DIBB COc1ccc(Cl)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 216731182 JVDFDXRAWQKZEH-UHFFFAOYSA-N 318.716 4.373 5 40 DIBB Cc1nc(CSc2nc3cc([N+](=O)[O-])ccc3s2)cs1 2710612 BUCSYBKRRJPORM-UHFFFAOYSA-N 323.424 4.262 5 40 DIBB Cc1ccc(Sc2ccc(/C=C\[N+](=O)[O-])cc2[N+](=O)[O-])cc1 32124794 YEVVYNITBRJXPW-HJWRWDBZSA-N 316.338 4.302 5 40 DIBB CC(C)c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 13017565 VWQHTOXVNZTMAF-UHFFFAOYSA-N 311.385 4.282 5 40 DIBB Cc1c(O[C@@H]2CCCCC2=O)ccc2c1oc(=O)c1ccccc12 407886 JNWBZAIRJFMZGW-GOSISDBHSA-N 322.360 4.145 5 40 DIBB C[N+](C)(Cc1c[nH]c2ccccc12)Cc1c[nH]c2ccccc12 779457 LYHDOUDUNMQXAY-UHFFFAOYSA-N 304.417 4.426 5 40 DIBB Cc1c(NC(=O)[C@H](C)Sc2ccccc2)cccc1[N+](=O)[O-] 563048 BQEFEEXWXIOTIS-LBPRGKRZSA-N 316.382 4.023 5 40 DIBB O=C(Nc1cc2ncccc2c2cccnc12)NC1CCCCC1 408978185 YROLVALOIVGPFX-UHFFFAOYSA-N 320.396 4.237 5 40 DIBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 4013267 FAVDDVFCEHOGER-APHBMKBZSA-N 305.374 4.212 5 40 DIBB Nc1cc(C(F)(F)F)cc2c1sc1nc3ccccc3n12 5595256 NJWIWKCRAFMKJV-UHFFFAOYSA-N 307.300 4.303 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1[C@H]1CCc2ccccc2C1=O 169801363 BFMKDOCMIFCEGU-CYBMUJFWSA-N 315.756 4.469 5 40 DIBB Cc1cc([N+](=O)[O-])cc2sc(NC(=O)C3CCCCC3)nc12 192901 YSEMNYIRCIWYOL-UHFFFAOYSA-N 319.386 4.032 5 40 DIBB CCCCc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4719194 XVTLZKYNSADOIA-UHFFFAOYSA-N 312.369 4.498 5 40 DIBB CC(C)c1ccccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 41146134 BJOQQYITSDWNGB-UHFFFAOYSA-N 311.341 4.174 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]12 106588562 YENWMUFPFCZVBN-FQBWVUSXSA-N 306.514 4.259 5 40 DIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 217863098 SWVIYKKHZVKAQP-KRWDZBQOSA-N 312.369 4.093 5 40 DIBB COc1ccc([N+](=O)[O-])cc1NCc1cccc2ccccc12 2760761 XGDOMPMNOGSQOX-UHFFFAOYSA-N 308.337 4.369 5 40 DIBB O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 499117 MLRKTPSVKPPKJD-UHFFFAOYSA-N 312.108 4.121 5 40 DIBB CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(C)cc1 481360 RZJHHWLTDVBHAV-UHFFFAOYSA-N 305.403 4.223 5 40 DIBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(C)C 528386 RPHRBKXHQXAEJR-UHFFFAOYSA-N 305.381 4.402 5 40 DIBB O=c1c2ccccc2c2nccc3c4cc(Cl)ccc4n1c32 8792504 PBHLWCFFHUHLGF-UHFFFAOYSA-N 304.736 4.245 5 40 DIBB biogenic O=C(Nc1ccc(Cl)cc1)c1coc2ccc([N+](=O)[O-])cc12 408965992 KTBVBGMAEHMHLG-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2ccc(Cl)cc12 58077 DPTNXDYEYWQCBV-UHFFFAOYSA-N 315.712 4.330 5 40 DIBB biogenic CC(C)Sc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10253329 JYEQPZQTGQAMPT-UHFFFAOYSA-N 316.382 4.348 5 40 DIBB OCCCNc1nc2c(Cl)cc(Cl)cc2c2ccccc12 31719277 IWXFFURFLLQSCI-UHFFFAOYSA-N 321.207 4.489 5 40 DIBB Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl 133708 PJHFPAYJXBAUKU-SOFGYWHQSA-N 316.744 4.209 5 40 DIBB CC(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 7036985 CJTFJPDXMYQAFG-QGZVFWFLSA-N 312.369 4.112 5 40 DIBB COc1cc(/C=C/c2ccc3ccccc3n2)cc([N+](=O)[O-])c1O 34872061 PDHPTOMLFIWZAH-SOFGYWHQSA-N 322.320 4.028 5 40 DIBB Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 504569 QHKOHCGPXYPQIB-RMKNXTFCSA-N 316.744 4.209 5 40 DIBB CCCNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 20897588 BJISPKGDWZAYFA-UHFFFAOYSA-N 324.340 4.134 5 40 DIBB O=[N+]([O-])c1cccc(CSc2ncc(-c3ccccc3)[nH]2)c1 8769908 AYIROYPNUAHWPU-UHFFFAOYSA-N 311.366 4.277 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c1 57352414 MPMMXCVTTSEITR-UHFFFAOYSA-N 308.124 4.445 5 40 DIBB COc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 12513455 CATYHGBXRVLPOQ-LBPRGKRZSA-N 323.352 4.325 5 40 DIBB Nc1cc(-n2ccc3cc([N+](=O)[O-])ccc32)cc(C(F)(F)F)c1 228928797 RJUPDTYKQHWFKL-UHFFFAOYSA-N 321.258 4.140 5 40 DIBB CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 20456289 NEPYDORQNMWWPG-AWEZNQCLSA-N 318.760 4.129 5 40 DIBB Cc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1C 8318627 DIZQFMOCNNWDBX-UHFFFAOYSA-N 305.384 4.072 5 40 DIBB C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 15130206 TXHAYJLPPBAFSK-ZDUSSCGKSA-N 307.353 4.359 5 40 DIBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2n1 175400 DAQLGYRRZRBWQP-UHFFFAOYSA-N 321.336 4.012 5 40 DIBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1c1ccccc12 4945990 KYZCCAROKGUPKK-OMWUSAIZSA-N 323.348 4.185 5 40 DIBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 258340 JUALLENBSMKPQY-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1 112704 PTDTUGINIJOYLY-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB C[C@H](C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3135466 LDYOYHATFGPLPR-CYBMUJFWSA-N 310.353 4.040 5 40 DIBB c1ccc(-c2nnc3c4ccccc4c4ccccc4c3n2)nc1 3651238 PUXDCBHUQWIFIH-UHFFFAOYSA-N 308.344 4.393 5 40 DIBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1O2 4073058 RHCRPQSFUBUINC-UHFFFAOYSA-N 307.649 4.006 5 40 DIBB CC(=O)Nc1cccc(/C=C\C=C\c2ccc([N+](=O)[O-])cc2)c1 16981950 BIRWVTCLAPDPLN-JGJYBARTSA-N 308.337 4.280 5 40 DIBB O=C(Nc1cc2cccnc2c2cccnc12)NC1CCCCC1 408974866 HTBWRUWSQFASRW-UHFFFAOYSA-N 320.396 4.237 5 40 DIBB CCc1ccc2c(OC(C)=O)c3ccccc3c(OC(C)=O)c2c1 1673650 OKZBFYJWIQGHFQ-UHFFFAOYSA-N 322.360 4.406 5 40 DIBB O=[N+]([O-])c1ccc(SCSc2ccc([N+](=O)[O-])cc2)cc1 6668131 BGJPFRMRGSMEMK-UHFFFAOYSA-N 322.367 4.345 5 40 DIBB Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 25292977 RBVBKMOLIDFMON-UHFFFAOYSA-N 324.380 4.016 5 40 DIBB Cc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@H]1C 45886358 SGUVWROBPVASAR-SNVBAGLBSA-N 313.195 4.045 5 40 DIBB O=C(O[C@@H]1CCC/C=C\CCCC1)c1ccc([N+](=O)[O-])cc1 4990600 AOXGZHUREMOWOR-STOZHHMFSA-N 303.358 4.421 5 40 DIBB Cc1ccc([N+](=O)[O-])c(OCc2cc(F)cc3cccnc23)c1 31617032 QEDRENVKMINMPD-UHFFFAOYSA-N 312.300 4.170 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(F)(F)F 19160682 IMSBUBLCSMYHME-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)cc1 45888860 XBXZXYFOSNOECJ-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB CC(C)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 2648347 YBKPUNPMLVSAIL-ZDUSSCGKSA-N 312.369 4.460 5 40 DIBB CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 14602495 AHORXDGOBOZIJM-INIZCTEOSA-N 312.369 4.093 5 40 DIBB CSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 3548763 SWGIGNNEGHFSHQ-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB O=C(Nc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 4720695 GOLWXFSBPUYULV-UHFFFAOYSA-N 310.353 4.045 5 40 DIBB COc1ccc(C)cc1COc1ccc([N+](=O)[O-])cc1Cl 9908427 AGNGZSSKNCXUAM-UHFFFAOYSA-N 307.733 4.144 5 40 DIBB O=C(Nc1ccccc1F)c1cccc2nc3ccccc3nc12 12277015 OYKPYZDRVOPAPI-UHFFFAOYSA-N 317.323 4.174 5 40 DIBB Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 13679405 OVZVBVOSKFVSEU-UHFFFAOYSA-N 318.760 4.046 5 40 DIBB CCC(CC)(CC)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 20573357 XRSNETSYDNTMFP-UHFFFAOYSA-N 310.419 4.015 5 40 DIBB O=[N+]([O-])C[C@H](Sc1nc2ccccc2s1)c1ccccc1 59489740 OWHHQYNFZOTLIK-AWEZNQCLSA-N 316.407 4.406 5 40 DIBB Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl 2648346 IMILVVLIKUEUCM-LLVKDONJSA-N 318.760 4.299 5 40 DIBB O=S(=O)(O)c1cc2c3ccccc3ccc2c2ccccc12 5742889 YFONODQBDYLSRM-UHFFFAOYSA-N 308.358 4.393 5 40 DIBB COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 6320069 XKPCXHNZWNYHDW-WEVVVXLNSA-N 306.321 4.322 5 40 DIBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 36635946 MAIRIOAZHVIBHI-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB CCC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F 79101693 JFFVXKYVCFFKGQ-CYBMUJFWSA-N 307.300 4.221 5 40 DIBB Cc1c(NC(=O)N(C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 43346781 HIVFYENQYGRACI-ZDUSSCGKSA-N 313.357 4.128 5 40 DIBB Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 5539752 XONMFUMTJDFAJT-RMKNXTFCSA-N 316.744 4.209 5 40 DIBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 71889264 GWAOOOAHQRFAJR-INIZCTEOSA-N 313.313 4.066 5 40 DIBB CC(C)c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1708969 XCVJISMMMSMKJM-UHFFFAOYSA-N 302.286 4.419 5 40 DIBB O=C1c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 169800412 NHJIAKNDSAXWJU-NSHDSACASA-N 319.719 4.300 5 40 DIBB CC[C@H](C)Oc1ccccc1/C=C\c1onc(C)c1[N+](=O)[O-] 408541948 GTHSTSPYXGDTNW-JUDLJHIGSA-N 302.330 4.239 5 40 DIBB CC[C@@H](C)NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408908935 ZBXDCZIMRFCNIZ-QFGUUYLXSA-N 324.380 4.050 5 40 DIBB COC(=O)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1 3368131 AQSQLSHCCBKEPB-UHFFFAOYSA-N 323.304 4.327 5 40 DIBB C[N+]1(C[C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)CCCCC1 4029913 VOCKPMDIHQHJAT-LWYYNNOASA-N 304.498 4.301 5 40 DIBB C[N+]12CCc3c([nH]c4ccccc34)[C@H]1[C@@H]1CC(Cl)=CC[C@@H]1C2 1321728 PWQAMWMJMNBVIA-TXMTYVBZSA-N 313.852 4.374 5 40 DIBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 5869974 WFGXEYVGDUHFIU-LBPRGKRZSA-N 324.336 4.035 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCc1ccccc1 6922030 YEDCDCMQSUQZHY-UHFFFAOYSA-N 318.760 4.128 5 40 DIBB CC(=O)Nc1ccc(/C=C/C=C\c2cccc([N+](=O)[O-])c2)cc1 4991074 YESPFJRWKIDADA-JGJYBARTSA-N 308.337 4.280 5 40 DIBB CCCCCCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4506979 AAJUILPBNLYONF-UHFFFAOYSA-N 316.357 4.165 5 40 DIBB CC(C)c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 225990854 GRBZMQTXMXCVPH-UHFFFAOYSA-N 324.380 4.389 5 40 DIBB C[C@](C#N)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 116088 RFQPADMFVLHYSN-HNNXBMFYSA-N 320.270 4.443 5 40 DIBB Cn1cccc1C(/C=C\c1ccccc1[N+](=O)[O-])c1cccn1C 17176369 XUUFYGJZUGDYBA-QXMHVHEDSA-N 321.380 4.117 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2ccccc21 4004761 HTYOJGBBZYEJPX-UHFFFAOYSA-N 308.259 4.308 5 40 DIBB CC(C)c1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cccc2c1=O 685938228 MBXBLIJDCBWVFS-UHFFFAOYSA-N 308.337 4.227 5 40 DIBB C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 68779110 CVCNXWPRPISBTQ-LLVKDONJSA-N 318.398 4.072 5 40 DIBB COc1ccc(Cl)cc1NSc1ccccc1[N+](=O)[O-] 3182126 IUFFPPOYHKRLOE-UHFFFAOYSA-N 310.762 4.376 5 40 DIBB Cc1ccc(C(=O)c2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 226295690 NFXQCXWLLGKPAE-UHFFFAOYSA-N 317.344 4.386 5 40 DIBB Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 7889365 QHDPGILJKGJMKX-UHFFFAOYSA-N 321.336 4.012 5 40 DIBB Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3330400 LYLLXPJOAYRWRQ-UHFFFAOYSA-N 313.353 4.420 5 40 DIBB O=[N+]([O-])c1cccc([C@H]2NN=C3/C(=C/c4ccco4)CCC[C@H]32)c1 5119906 WEGBXOIQAUTKCU-KORIGIIASA-N 323.352 4.072 5 40 DIBB CCCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 6656560 WYNULRSEOZNLPJ-JXMROGBWSA-N 302.330 4.241 5 40 DIBB C/C(=C\c1ccc(-c2cc(C)c([N+](=O)[O-])cc2C)o1)[N+](=O)[O-] 227149554 MNXILXCRHSZAJS-DHZHZOJOSA-N 302.286 4.109 5 40 DIBB O=[N+]([O-])c1ccc(/N=c2\ssnc2Cl)c2ccccc12 4602264 FZQITWFDVUPISP-OWBHPGMISA-N 323.786 4.152 5 40 DIBB Cc1cc(Cl)cc(Cl)c1CNc1ccc([N+](=O)[O-])cn1 59474560 CMZVGNZBJBJYLB-UHFFFAOYSA-N 312.156 4.217 5 40 DIBB CC(C)CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2ccccc21 409110342 UUKUQDHBTMZRMI-BOPFTXTBSA-N 322.364 4.138 5 40 DIBB CC(C)(OC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 1717890 FKKYGLHSPWOEAJ-UHFFFAOYSA-N 300.314 4.079 5 40 DIBB CCCC[C@H](CC)CNc1c([N+](=O)[O-])c(=O)oc2ccccc12 4184032 OBKGKSUACQQVPV-LBPRGKRZSA-N 318.373 4.330 5 40 DIBB COc1ccc(Sc2sc(C(C)=O)cc2[N+](=O)[O-])cc1 125364 NFHKFSUVGRIBAO-UHFFFAOYSA-N 309.368 4.019 5 40 DIBB C[N@+]12CCCC[C@@H]1[C@@H](COc1cccc3cccnc13)CCC2 247660987 SDWYKDOJNBOHCC-JBYIUTFZSA-N 311.449 4.023 5 40 DIBB biogenic,in-vitro CC(=O)Nc1cccc(/C=C\C=C/c2cccc([N+](=O)[O-])c2)c1 5182267 LMUVCCGGKBYQAH-PORYWJCVSA-N 308.337 4.280 5 40 DIBB Cc1nc(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 32825891 QDYUISAOKPTJEJ-UHFFFAOYSA-N 317.395 4.074 5 40 DIBB O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12 66101648 KVQYHOITLPMKDW-UHFFFAOYSA-N 315.332 4.225 5 40 DIBB Cc1cc(Sc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-] 5541253 ZFNBHNLOANRGJQ-UHFFFAOYSA-N 304.327 4.271 5 40 DIBB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 13511281 FAVDDVFCEHOGER-MAZHCROVSA-N 305.374 4.212 5 40 DIBB CCc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1 45888547 DHJBKTDAJZNADM-UHFFFAOYSA-N 312.369 4.280 5 40 DIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(Cl)c1 45888884 NHBSQHBBJOLIBV-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])cc2)c1C1CC1 561696674 CVFCWIBWMQFCBO-UHFFFAOYSA-N 300.362 4.068 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 30866614 NPQOBCVQHLAEKC-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB CC1(C)[C@H]2CC[C@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 72221210 OVBAZMNMTLVARN-RNODOKPDSA-N 318.376 4.023 5 40 DIBB Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc2c34)cc1 5340379 HUXHMXNSJKXYDQ-UHFFFAOYSA-N 304.305 4.348 5 40 DIBB C[C@@]12CC3CC(Nc4ncccc4[N+](=O)[O-])(C1)C[C@](C)(C3)C2 12402586 NLKCUSCVSLWXRW-TWDRJXRQSA-N 301.390 4.151 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@@H]12 4062738 YENWMUFPFCZVBN-LFDJNIOPSA-N 306.514 4.259 5 40 DIBB O=C(Nc1cc2ccncc2c2ncccc12)N1CCCCCC1 6815912 LIBPXNNKJKVOKB-UHFFFAOYSA-N 320.396 4.191 5 40 DIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1 7792509 MVTADGOHTQNRPY-INIZCTEOSA-N 312.369 4.093 5 40 DIBB Cc1nc(Nc2ccccc2)c([N+](=O)[O-])c(Nc2ccccc2)n1 4117096 XQYAUUGTIJQVMM-UHFFFAOYSA-N 321.340 4.180 5 40 DIBB C[C@H]1CC(=O)c2c(Oc3ccc([N+](=O)[O-])cn3)ccc(Cl)c21 32825071 SNRNAJAZCJNWCI-QMMMGPOBSA-N 318.716 4.125 5 40 DIBB Cc1cc(C)cc(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 41146140 BIOQOPXSNRAIGW-GFCCVEGCSA-N 311.341 4.228 5 40 DIBB O=[N+]([O-])c1cnccc1Sc1cccc(C(F)(F)F)c1 481373 SWBNQXLVLFIRGT-UHFFFAOYSA-N 300.261 4.160 5 40 DIBB O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCCCC2)cc1 58407127 VCILGVLHXGGYAL-UHFFFAOYSA-N 312.373 4.114 5 40 DIBB CC(=O)c1ccc(Nc2cccc3c(O)cccc23)c([N+](=O)[O-])c1 225209317 YRRRSEUUBFTGFR-UHFFFAOYSA-N 322.320 4.400 5 40 DIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1Cl 45888918 OMHHALIPODAQGV-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB O=c1[nH]c(=O)c2ccc3c4cccc5cccc(c6ccc1c2c63)c54 36415879 LBOJSACZVLWUHN-UHFFFAOYSA-N 321.335 4.377 5 40 DIBB CCc1ccc([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 78457790 VRZGPMXJGZPDCI-BRADTZPFSA-N 324.380 4.048 5 40 DIBB COC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 169800236 IABZYIGFODPPGH-SFHVURJKSA-N 321.332 4.053 5 40 DIBB O=C(Sc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 320481 UUMDUZJBBUHAGE-UHFFFAOYSA-N 316.363 4.137 5 40 DIBB O=[N+]([O-])c1cccc2ccc(-c3cnc4ccccc4c3)nc12 4081973 OGZUCXWARNJGTM-UHFFFAOYSA-N 301.305 4.358 5 40 DIBB CSc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] 3553797 VPGLPCJBWFLKFD-UHFFFAOYSA-N 323.757 4.189 5 40 DIBB CCc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 4994806 QLDOXQQGAKMVRP-UHFFFAOYSA-N 310.309 4.007 5 40 DIBB COc1cc(N[C@@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1F 79099360 IWICGMBATBXEFT-VIFPVBQESA-N 308.309 4.125 5 40 DIBB CCSc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 38771310 YWOYCFYXEBPTLO-UHFFFAOYSA-N 316.382 4.268 5 40 DIBB CCCCN(CCCC)C(=O)Nc1cc([N+](=O)[O-])ccc1C 40095751 VRSGCNTZPWTKRW-UHFFFAOYSA-N 307.394 4.337 5 40 DIBB Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1C 4116730 JVCKWHYGSORGPU-UHFFFAOYSA-N 318.720 4.145 5 40 DIBB C[N+]12CCc3c([nH]c4ccccc34)[C@H]1[C@H]1CC(Cl)=CC[C@@H]1C2 106533957 PWQAMWMJMNBVIA-QDIDMJFHSA-N 313.852 4.374 5 40 DIBB O=[N+]([O-])c1ccccc1Oc1ncnc2c1oc1ccccc12 9450803 YVBYAPDCGVMPAS-UHFFFAOYSA-N 307.265 4.077 5 40 DIBB CC[N+](C)(CC)CCCCCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 1688950 HVJWECFJJYLTJD-WOJBJXKFSA-N 310.570 4.300 5 40 DIBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)Cc1ccccc1)C2 4372480 NKTJJBPQZBFCRF-SBHAEUEKSA-N 316.509 4.494 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(Cl)cc1 17055893 XRZZWHJXXFVHRR-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217866755 LQAKQUKUTPCRDS-KRWDZBQOSA-N 312.369 4.093 5 40 DIBB Cc1ccc([C@H](O)c2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 226295684 MWNCWXHSRYMTKS-FQEVSTJZSA-N 319.360 4.237 5 40 DIBB Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 239308 RQFQVOZIOOECDN-UHFFFAOYSA-N 311.316 4.203 5 40 DIBB CC(C)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2748304 YYSMEMBZFDSREP-ZHACJKMWSA-N 310.353 4.370 5 40 DIBB Cc1ccccc1[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 12537504 ZHYXJYXGPWTZDQ-GOSISDBHSA-N 320.348 4.467 5 40 DIBB CC(C)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 22157957 GSCTXJYCKSHDGJ-UHFFFAOYSA-N 302.359 4.171 5 40 DIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1C 217866846 MMXRBVFXLNJTEX-QGZVFWFLSA-N 312.369 4.093 5 40 DIBB O=C(NC1CCCCC1)c1cc2c(ccc3ccccc32)oc1=O 4502394 ZGIFJFOWLMETRJ-UHFFFAOYSA-N 321.376 4.009 5 40 DIBB Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1 4420144 KZNDOJMINLTNIM-UHFFFAOYSA-N 324.296 4.103 5 40 DIBB CC(C)c1ncc([N+](=O)[O-])n1C(=O)Nc1cccc2ccccc12 16576025 NIEBSVSTPFOKLU-UHFFFAOYSA-N 324.340 4.148 5 40 DIBB O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)ccc2O)c([N+](=O)[O-])c1 4702260 KMRRNHLOEVIPRB-OWOJBTEDSA-N 320.688 4.032 5 40 DIBB O=[N+]([O-])c1ccccc1CSc1ccc(C(F)(F)F)cn1 32628374 NSXOGDSLFIUHKQ-UHFFFAOYSA-N 314.288 4.301 5 40 DIBB C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 15130207 TXHAYJLPPBAFSK-CYBMUJFWSA-N 307.353 4.359 5 40 DIBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[N+](C)(C)Cc1ccccc1)C2 100717325 NKTJJBPQZBFCRF-ZJOUEHCJSA-N 316.509 4.494 5 40 DIBB CC(C)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 2741679 HJPGLQBESGPDDY-UHFFFAOYSA-N 312.797 4.002 5 40 DIBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 3556470 JLBYKVAWMWKQRR-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1ccc(-c2cc(COc3ccccc3[N+](=O)[O-])on2)cc1 32322153 ADMPBCOVQHGDSV-UHFFFAOYSA-N 310.309 4.137 5 40 DIBB O=[N+]([O-])c1ccccc1N1CCCC[C@H]1c1nc2ccccc2o1 89874886 SXEYBOOVARTJQO-INIZCTEOSA-N 323.352 4.468 5 40 DIBB COc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 5130224 TYTHACAHVHXRPX-RUDMXATFSA-N 312.350 4.384 5 40 DIBB CSc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 12688506 UWFMSSQYTSSMMY-SSDOTTSWSA-N 313.429 4.022 5 40 DIBB CC(C)c1ccc(CNc2sc([C@@H](C)O)cc2[N+](=O)[O-])cc1 95940378 ZSQRCOSVBKHJOG-LLVKDONJSA-N 320.414 4.445 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(Cl)cc1 13791327 QMVMJWPATMHYSW-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1ccc([N+](=O)[O-])cc1)C2=O 100928508 QTRXRFYMTIINJJ-XNRPHZJLSA-N 305.399 4.081 5 40 DIBB Fc1ccc(-c2csc3nc4nc5ccccc5c-4nn23)cc1 26688771 RCEZWBVVJNXPQO-UHFFFAOYSA-N 320.352 4.250 5 40 DIBB Cc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)s1 96003823 BZZUVESNVDYVEI-UHFFFAOYSA-N 317.395 4.337 5 40 DIBB Cc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] 6846522 JSRQWCAOAWKMJY-UHFFFAOYSA-N 310.353 4.034 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 59351125 GOJJDLATKBQXKG-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(O)cc1 37995907 ARNZAQOXQGVCJS-UHFFFAOYSA-N 315.272 4.470 5 40 DIBB CC[C@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] 72277128 DTFYXKLWFXLUQQ-CVEARBPZSA-N 311.385 4.152 5 40 DIBB O=[N+]([O-])c1ccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296878 RDAKQAAQZABQFE-HXUWFJFHSA-N 317.344 4.248 5 40 DIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 14602620 FSIWIYCPWJXNRH-MRXNPFEDSA-N 312.369 4.093 5 40 DIBB Cc1cc(C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 1946646 LBQVADLFUROTNT-BQYQJAHWSA-N 310.353 4.172 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)oc2c1 40951239 HBNFSKCELVRKFM-UHFFFAOYSA-N 319.114 4.166 5 40 DIBB CC[C@H](C)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 5666013 XCAIJJDZYMAENC-ZDUSSCGKSA-N 312.369 4.290 5 40 DIBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)Cc1ccccc1)C2 100717321 NKTJJBPQZBFCRF-ZVDOUQERSA-N 316.509 4.494 5 40 DIBB C[N+]1=C(/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21 16890057 BFBZPTVSYPOFDK-JLHYYAGUSA-N 307.373 4.314 5 40 DIBB COc1ccccc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1 48356484 PPHJHHDWBJZYOX-UHFFFAOYSA-N 312.350 4.394 5 40 DIBB Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCN 1720646 NYSZCISINQPRPK-UHFFFAOYSA-N 303.409 4.308 5 40 DIBB in-vitro c1ccc(-c2c3c(cc4ccccc24)C[N+]2(CCOCC2)C3)cc1 2193476 DUSWEPOBFNATLF-UHFFFAOYSA-N 316.424 4.367 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)Oc1ccc(Br)cc1O2 85221315 NEAQKVYUPNBTNP-UHFFFAOYSA-N 308.087 4.255 5 40 DIBB O=c1c2cccc3c2-c2c4c(cccc14)c(O)c1cccc(c3=O)c21 1585103 GZAGZWSGPSNIBK-UHFFFAOYSA-N 322.319 4.144 5 40 DIBB C[C@@H]1[C@@H]2C[C@@H]3C[C@@](C)(C2)C[C@@]1(Nc1ccc([N+](=O)[O-])cn1)C3 222368449 AHZHRJVWPDLFCV-LWQKMWDQSA-N 301.390 4.007 5 40 DIBB Cc1cc(OC(=O)N2CCCCC2)c(C(C)C)cc1[N+](C)(C)C 1718636 DAWHVWFOONWLEZ-UHFFFAOYSA-N 319.469 4.300 5 40 DIBB in-vitro CCc1cccc(CC)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 5466247 UOJUXQQABKKQAG-UHFFFAOYSA-N 312.369 4.280 5 40 DIBB O=C(O)c1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1 6875730 VNFITPXHKLAVRU-RMKNXTFCSA-N 320.304 4.012 5 40 DIBB COc1cc2ccccc2c(=O)c2cc(Br)sc12 347321 VKTNMDBSSPANFV-UHFFFAOYSA-N 321.195 4.186 5 40 DIBB CC(C)CN(CC(C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2741364 CWHWMKAXBIYYSH-UHFFFAOYSA-N 312.797 4.002 5 40 DIBB Cc1cccc([N+](=O)[O-])c1NC(=S)Nc1ccc(Cl)cc1 6276295 DBCYFYISQUCZTL-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB C[C@@H](OC(=O)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 48314633 CTKTWVOUEZBZJT-GFCCVEGCSA-N 324.336 4.005 5 40 DIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1 7792512 MVTADGOHTQNRPY-MRXNPFEDSA-N 312.369 4.093 5 40 DIBB CCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] 20897674 YXEAGJVYEBRHSF-UHFFFAOYSA-N 324.340 4.052 5 40 DIBB CC(C)c1nnc(S/C=C/c2ccc([N+](=O)[O-])o2)n1C1CC1 75476995 IALGOOVIICGALX-BQYQJAHWSA-N 320.374 4.001 5 40 DIBB COc1ccc(NC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1 4696403 SSSFWOHXBPOBDF-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB COc1cccc([C@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 75105843 WNTPMSNKNROQKN-INIZCTEOSA-N 315.373 4.198 5 40 DIBB CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 52411021 RJEOFWPTAGTBJI-UHFFFAOYSA-N 316.357 4.004 5 40 DIBB Cc1ccc(-c2csc(-c3cccc(N)c3)n2)cc1[N+](=O)[O-] 4245311 KIIURMUPQPBTQP-UHFFFAOYSA-N 311.366 4.276 5 40 DIBB CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 9095384 MNWUWDOQHPPNCS-UHFFFAOYSA-N 312.369 4.268 5 40 DIBB O=[N+]([O-])c1cc(F)cc(Cl)c1OC(Cl)(Cl)Cl 95215698 OWJGXYSQCLSHMH-UHFFFAOYSA-N 308.907 4.094 5 40 DIBB O=C(c1ccccc1)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 321616 NBZCWXYDXCYKET-UHFFFAOYSA-N 303.317 4.078 5 40 DIBB CN(CSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 4707336 FZCSLTAOTLNGHI-UHFFFAOYSA-N 308.790 4.434 5 40 DIBB Cc1cc(Cl)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 6922091 CISUGYAHVQIBIB-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CC[C@H](c1ccccc1)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] 58544395 DTFYXKLWFXLUQQ-HZPDHXFCSA-N 311.385 4.152 5 40 DIBB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 13674801 BQRYIZSTKUDNRA-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB Cc1ccccc1Nc1c([N+](=O)[O-])oc2ccc([N+](=O)[O-])cc12 4798150 GQBJZUDEZQQUAQ-UHFFFAOYSA-N 313.269 4.301 5 40 DIBB CC1CCN(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 6308192 BUNXZJYCASBXSZ-UHFFFAOYSA-N 320.396 4.047 5 40 DIBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)cc1 13230293 NTSRAENIHLGCCM-UHFFFAOYSA-N 305.293 4.398 5 40 DIBB CC(C)(C)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 3514767 NIDKQHGPYDSGMT-UHFFFAOYSA-N 313.353 4.249 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)Nc2ccccc2)c1 5899890 PZUAURGWZIWUIS-UHFFFAOYSA-N 307.762 4.057 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 30756012 FVRKTKNSZXTEGO-CQSZACIVSA-N 312.369 4.011 5 40 DIBB C[N+](C)(CCCC[N+](C)(C)CC1CCCC1)CC1CCCC1 585151865 ZZMPYFGAQJNTTH-UHFFFAOYSA-N 310.570 4.300 5 40 DIBB Cc1ccccc1[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 12537503 ZHYXJYXGPWTZDQ-SFHVURJKSA-N 320.348 4.467 5 40 DIBB COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1 1582510 JEJYRYMGASNUHY-UHFFFAOYSA-N 317.326 4.064 5 40 DIBB O=c1ccc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2o1 2624633 JNJPDGWIUWNXAG-UHFFFAOYSA-N 317.684 4.147 5 40 DIBB O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)c(Cl)cc1F 95215759 MNRUZCMUUGVPMM-UHFFFAOYSA-N 308.907 4.094 5 40 DIBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c(Cl)c1 8063931 BJKQAWGYISSNNZ-UHFFFAOYSA-N 320.732 4.153 5 40 DIBB CC1(C)[C@H](CC[N+]2(C)CCCCC2)C[C@H]1C[N+]1(C)CCCCC1 3171946 WLXMWQVXXGMOTH-UXHICEINSA-N 322.581 4.300 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@@H]21 4062743 YENWMUFPFCZVBN-HVMFNXBNSA-N 306.514 4.259 5 40 DIBB CC(=O)Oc1ccc2ccc3c(OC(C)=O)ccc4ccc1c2c43 4697476 YBBLVJOIYHSSAF-UHFFFAOYSA-N 318.328 4.435 5 40 DIBB Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 5538460 SKCWHAWGXVZTRJ-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB C[C@H]1CC[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846103 OQNJODQUHPPDSK-YVEFUNNKSA-N 305.374 4.214 5 40 DIBB biogenic Cc1ccc(C)c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1 4116729 DPIBCJMZSYOGCZ-UHFFFAOYSA-N 318.720 4.145 5 40 DIBB CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 14029866 YWBFWIKOATXOEE-UHFFFAOYSA-N 314.341 4.026 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)c1c(Cl)nncn12 163375 HUIRVIDNMIDTPA-UHFFFAOYSA-N 324.727 4.111 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1oc2ccccc2c1C 1103551 ABCOKEJWMFEXHF-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1867059 DBQCCPLGUMIEEP-UHFFFAOYSA-N 312.108 4.121 5 40 DIBB O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ccccc3[nH]2)o1 13230118 NUFUEUQWHNMUSJ-UHFFFAOYSA-N 305.293 4.398 5 40 DIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)cc1 45888855 HMVZYAQETLLXCR-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])c2ccccc12 408542953 MEBAVUQZLBAIAS-NTMALXAHSA-N 310.309 4.223 5 40 DIBB Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C 288667 ZXDPCSLMFQWROS-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1c(O[C@H]2CCCCC2=O)ccc2c1oc(=O)c1ccccc12 407885 JNWBZAIRJFMZGW-SFHVURJKSA-N 322.360 4.145 5 40 DIBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)c1 192297316 WUAXMVOBBGLDKN-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 6439975 PEBMBKGJAPEYKZ-UHFFFAOYSA-N 316.382 4.268 5 40 DIBB O=[N+]([O-])c1ccc(Sc2ccc(Cl)c(Cl)c2)nc1 480512 BCBVFNWTCSBZRY-UHFFFAOYSA-N 301.154 4.448 5 40 DIBB Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12 4981011 YTAITZRBXMKGJJ-UHFFFAOYSA-N 313.360 4.344 5 40 DIBB C[C@H]1[C@H]2C[C@@H]3C[C@@](C)(C2)C[C@@]1(Nc1ccc([N+](=O)[O-])cn1)C3 222368568 AHZHRJVWPDLFCV-ZWRJDUBHSA-N 301.390 4.007 5 40 DIBB Cc1ccc([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 38754165 YUBPMTMDKXTWQD-HQPKTYMTSA-N 324.380 4.102 5 40 DIBB CSc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 3553777 FYOSBGMGIAIPLS-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1 217862828 SISZVJTWXMDESP-QGZVFWFLSA-N 312.369 4.093 5 40 DIBB O=[N+]([O-])c1ccc(OCc2cccc3cccnc23)c(Cl)c1 14707533 FZCZLWIYZROURN-UHFFFAOYSA-N 314.728 4.375 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccccc1 22500098 UNOWLXBGNYLXOT-LBPRGKRZSA-N 316.382 4.023 5 40 DIBB Cc1nnc(COC(=O)c2c3ccccc3cc3ccccc23)o1 6643773 TWOWHWYJMJMKMA-UHFFFAOYSA-N 318.332 4.041 5 40 DIBB O=[N+]([O-])c1ccc2oc(-c3ccc(Br)cc3)nc2c1 266051 WQCLSYOCZOQWRT-UHFFFAOYSA-N 319.114 4.166 5 40 DIBB O=C(NCCC1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 10542448 MVTDPKRNCJAASH-UHFFFAOYSA-N 324.808 4.339 5 40 DIBB N=C1NC(=O)/C(=C\c2c3ccccc3cc3ccccc23)S1 973659 IAKPCQNRUXXAOE-MHWRWJLKSA-N 304.374 4.132 5 40 DIBB Cc1ccc(CSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1704643 YITYJBMOSOYTDQ-UHFFFAOYSA-N 304.327 4.104 5 40 DIBB CC(C)NC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408975165 IQBFKAOEACNAPS-UHFFFAOYSA-N 321.405 4.136 5 40 DIBB Cc1cc([C@@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c(C)s1 31662788 LXYVAEUGEHFBBF-SNVBAGLBSA-N 319.386 4.156 5 40 DIBB Cc1ccc(C)c(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1 5118547 XQHPKLGWHZGVEG-UHFFFAOYSA-N 319.744 4.127 5 40 DIBB Cc1c2cnccc2c(C)c2c1c1ccccc1n2C[C@@H]1CO1 5120758 DNUNVFXDBUOVBS-CQSZACIVSA-N 302.377 4.358 5 40 DIBB CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 58421655 SRZZILZIPWCOLD-UHFFFAOYSA-N 320.392 4.423 5 40 DIBB O=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)c2ccncc12 67385400 WYUIPVPQQYMQAX-UHFFFAOYSA-N 317.304 4.484 5 40 DIBB Cc1cc([C@H](O)c2c(C)ccc3ccccc23)ccc1[N+](=O)[O-] 226294646 GVYWPIVWGQQHFP-IBGZPJMESA-N 307.349 4.447 5 40 DIBB CN1c2ccccc2C(C)(C)[C@@]12CCc1cc([N+](=O)[O-])ccc1O2 5261044 WQAHJHZUJKDOFM-IBGZPJMESA-N 324.380 4.044 5 40 DIBB O=C(Nc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 258337 MAXMLJQNSOFMAI-UHFFFAOYSA-N 308.293 4.107 5 40 DIBB CC1(C)[C@H]2CC[C@@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 103674161 OVBAZMNMTLVARN-RBZFPXEDSA-N 318.376 4.023 5 40 DIBB O=[N+]([O-])c1ccc(CSc2cc(-c3ccccc3)ncn2)cc1 11903038 RCYZGTZJEHVYMQ-UHFFFAOYSA-N 323.377 4.344 5 40 DIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCC1CCCCC1 2627271 ZSYPDMFVGSWNDU-UHFFFAOYSA-N 320.389 4.293 5 40 DIBB Cc1ccc([N+](=O)[O-])c(OCc2cc(-c3ccccc3)on2)c1 10346958 GTRQNDKDSKNHSR-UHFFFAOYSA-N 310.309 4.137 5 40 DIBB O=[N+]([O-])C[C@H](c1c(F)cccc1Cl)c1c[nH]c2ccccc12 2239657 ZRLIRSOYAMMXOK-LBPRGKRZSA-N 318.735 4.369 5 40 DIBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 21030902 DKEKGSNFYBRYQO-MRVPVSSYSA-N 312.156 4.470 5 40 DIBB CCCCn1c(-c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 35188603 BYTMMNQWTBPGOK-UHFFFAOYSA-N 311.341 4.117 5 40 DIBB Cc1noc(/C=C/c2cc(Cl)c(O)c(Cl)c2)c1[N+](=O)[O-] 408544062 RPADFJKLMQLWLY-NSCUHMNNSA-N 315.112 4.074 5 40 DIBB CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 7036995 HAMRKTXYMCPVOW-KRWDZBQOSA-N 312.369 4.112 5 40 DIBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])s1 12562438 HPMDHXODEJYNJQ-WOPDTQHZSA-N 311.403 4.274 5 40 DIBB Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ncccc1[N+](=O)[O-] 58356669 ZJNDDPJJYKYXNY-LBPRGKRZSA-N 301.346 4.017 5 40 DIBB C[N@+]12CCCC[C@H]1[C@H](COc1cccc3cccnc13)CCC2 247660996 SDWYKDOJNBOHCC-NPPFBWRTSA-N 311.449 4.023 5 40 DIBB biogenic,in-vitro CCc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 8304314 NVVBFKWLQPLQGQ-UHFFFAOYSA-N 312.369 4.037 5 40 DIBB Cc1ccc2c(c1)C(C)(C)[C@@]1(C)Oc3ccc([N+](=O)[O-])cc3CN21 4817379 NJLPYVTXWBLNJW-LJQANCHMSA-N 324.380 4.310 5 40 DIBB Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 6272424 QCRFPDLOLLPLAD-SOFGYWHQSA-N 316.744 4.209 5 40 DIBB Cc1ccc(NC(=O)c2occc2-c2ccccc2)cc1[N+](=O)[O-] 22836554 BYXTWYMRCLXAPR-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 5107950 HFIADMKYXNWBRZ-LBPRGKRZSA-N 324.336 4.035 5 40 DIBB O=c1oc2ccc3ccccc3c2cc1-c1ccc2c(c1)OCO2 519122 JFFWBGCMRWQMDP-UHFFFAOYSA-N 316.312 4.342 5 40 DIBB biogenic O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 5569540 FVRYEKUAFAZDKS-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB O=C(Nc1cc2cccnc2c2ncccc12)NC1CCCCC1 6423062 JWWYFMLDDXOGIM-UHFFFAOYSA-N 320.396 4.237 5 40 DIBB O=[N+]([O-])c1ccc(NC[C@@H]2CCc3ccccc32)c2ccncc12 521369114 GSNUAXZNYDKHMN-AWEZNQCLSA-N 319.364 4.285 5 40 DIBB Cc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cc1 72206766 RIOSAOTWTULPGH-UHFFFAOYSA-N 308.131 4.458 5 40 DIBB O=[N+]([O-])c1c(NCc2cccc3ccccc23)nc2ccccn12 63736190 CFVKMXBFUNDHLV-UHFFFAOYSA-N 318.336 4.008 5 40 DIBB Cc1c(OC(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 550725 BSQXDVJXOZQKEN-UHFFFAOYSA-N 320.300 4.067 5 40 DIBB CCC(CC)C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1671024 CBIFZZODLZKAGY-UHFFFAOYSA-N 306.145 4.243 5 40 DIBB COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2C(C)=O 13736118 WNDULFASDIBPBZ-UHFFFAOYSA-N 319.364 4.023 5 40 DIBB [O-][n+]1ccccc1SCc1nc2ccccc2c2ccccc12 20033652 XPUMZQHOVGVWOY-UHFFFAOYSA-N 318.401 4.314 5 40 DIBB COC(=O)Nc1c2ccccc2c(NC(=O)OC)c2ccccc12 1600627 VXLOLDOMZYKWQR-UHFFFAOYSA-N 324.336 4.350 5 40 DIBB O=[N+]([O-])c1ccc2[nH]c(/C(Cl)=C/c3ccccc3F)nc2c1 12746400 PYUWCLLXMVETTG-XFFZJAGNSA-N 317.707 4.347 5 40 DIBB O=C(O)c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 16401881 OXWYYTNMGDNXPS-UHFFFAOYSA-N 323.757 4.239 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccccc2)o1 258363 VCWSOBRUDWAKJE-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB COc1ccc(CSc2nc3ccccc3o2)cc1[N+](=O)[O-] 262025 DDILZJJKQZTZQO-UHFFFAOYSA-N 316.338 4.037 5 40 DIBB Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc(C)c1Cl 572111 VXXILAFCDXIHEU-UHFFFAOYSA-N 319.744 4.393 5 40 DIBB CCCCc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 222633674 XJZYNKHWZQGMAG-UHFFFAOYSA-N 314.341 4.379 5 40 DIBB CN1c2ccccc2C(C)(C)[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 162158 AZZVYIDATNYVSN-LJQANCHMSA-N 322.364 4.124 5 40 DIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 3438520 OKUPIVAEEDPJHT-UHFFFAOYSA-N 307.305 4.105 5 40 DIBB Cc1c(CSc2nncc3ccccc23)cccc1[N+](=O)[O-] 42156343 SNIGMXFZAGWCGA-UHFFFAOYSA-N 311.366 4.139 5 40 DIBB O=[N+]([O-])c1ccccc1NCc1ccc(Oc2ccccc2)nc1 60333598 XCTKHHQOSIZTRA-UHFFFAOYSA-N 321.336 4.394 5 40 DIBB O=[N+]([O-])c1cccnc1Oc1ccc2oc3c(c2c1)CCCC3 6607736 ZIYPKJTXNGGOTA-UHFFFAOYSA-N 310.309 4.407 5 40 DIBB CC(C)c1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 22157784 AWBHUGLTOJRZAI-UHFFFAOYSA-N 302.359 4.171 5 40 DIBB O=[N+]([O-])c1ccc(CSc2nc3ccc(Cl)cc3[nH]2)cc1 9204981 OIALPVXQFDWXJX-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(F)cc3)no2)ccc1Cl 22120169 AQRWQEFYCDQDEU-UHFFFAOYSA-N 319.679 4.104 5 40 DIBB C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](c2ccco2)C1 84697730 PGAVGOWJMCKRTC-MFKMUULPSA-N 321.764 4.214 5 40 DIBB O=C(Sc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3102104 PRVTVFPNNNKJNR-UHFFFAOYSA-N 316.363 4.137 5 40 DIBB Cc1ccc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5191405 AYWWLKIUKJRLPR-UHFFFAOYSA-N 316.382 4.024 5 40 DIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCCC1 13135242 HQZQNMYBHWJKOG-CSKARUKUSA-N 322.792 4.100 5 40 DIBB O=C(O)c1cc2ccccc2c2cc(Br)ccc12 1761875 UEWHMHUEUVHQQH-UHFFFAOYSA-N 301.139 4.454 5 40 DIBB COc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1 6831938 SOTCAMYODSULSB-CSKARUKUSA-N 306.321 4.322 5 40 DIBB O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc12 6079224 SZAZVYZAHTXPBI-QPJJXVBHSA-N 320.304 4.042 5 40 DIBB Cc1cc(C)cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 8335510 YQULMJPFUFZACT-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB Cc1cc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Cl 41146132 FQIWUGDHFFUBNV-UHFFFAOYSA-N 317.732 4.012 5 40 DIBB O=C(Nc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 1236697 DLMLBYFJYJQFDE-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB CSc1ccc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] 3553827 LPCZRPOLCQVIJU-UHFFFAOYSA-N 322.430 4.159 5 40 DIBB C[N+]1(C)[C@H]2CCCCCC[C@@H]2[N+](C)(C)[C@H]2CCCCCC[C@@H]21 5030119 IGDCMQBWZFLQOX-MUGJNUQGSA-N 308.554 4.336 5 40 DIBB CC(=O)c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 15173645 REYAQZDWYQMKDV-UHFFFAOYSA-N 304.733 4.063 5 40 DIBB Cc1cc(Oc2ccc3c(c2)OCO3)c(Cl)cc1[N+](=O)[O-] 32826049 DMIWBJKEZAMUFP-UHFFFAOYSA-N 307.689 4.078 5 40 DIBB COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 12513448 CATYHGBXRVLPOQ-GFCCVEGCSA-N 323.352 4.325 5 40 DIBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)c[nH]c2=S)cc1 26423067 TZQJHHAERQJUDV-UHFFFAOYSA-N 311.366 4.419 5 40 DIBB Cc1ccc(C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 4659215 QFYVOGJHEHLLDS-UHFFFAOYSA-N 306.321 4.309 5 40 DIBB Nc1nnc(SCc2nc3ccccc3c3ccccc23)s1 5391066 KSWOUTWHZRJXIK-UHFFFAOYSA-N 324.434 4.114 5 40 DIBB Cc1ccc(C)c([C@@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c1 33040336 BPPMZXHCVCLOMF-CYBMUJFWSA-N 313.357 4.094 5 40 DIBB CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 3846351 CINAWMSAVSSRHF-QIIPPGSGSA-N 317.385 4.214 5 40 DIBB biogenic O=[N+]([O-])c1ccc2c(CSc3ccc(Cl)cn3)c[nH]c2c1 59459175 YINPQUZHYVVOTH-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB Cc1c(NC(=O)CCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 12609031 OPZURDMWZUSGBY-UHFFFAOYSA-N 318.760 4.128 5 40 DIBB C[N+]1(C[C@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)CCCCC1 12660941 VOCKPMDIHQHJAT-YSTOQKLRSA-N 304.498 4.301 5 40 DIBB C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 62923878 CVCNXWPRPISBTQ-NSHDSACASA-N 318.398 4.072 5 40 DIBB Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 5936396 CAPHYXWEILBNDX-UHFFFAOYSA-N 305.717 4.084 5 40 DIBB COc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)ccc1O 8321787 IFNXODCXDUWXNA-FNORWQNLSA-N 322.320 4.028 5 40 DIBB C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 8534871 YOZWNTVDNKISCG-SALMBKGGSA-N 314.429 4.289 5 40 DIBB COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 169800237 IABZYIGFODPPGH-GOSISDBHSA-N 321.332 4.053 5 40 DIBB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 6275919 RVRRQUULEVTESG-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 38756876 KJZZCWQGZSNCBB-USYSOWRXSA-N 324.380 4.102 5 40 DIBB CC(C)(C)c1csc(NSc2ccc([N+](=O)[O-])cc2)n1 3069716 WSHGGTQLHDDUPP-UHFFFAOYSA-N 309.416 4.468 5 40 DIBB C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 5059049 RXSRTQHDEVILRE-SNVBAGLBSA-N 305.717 4.166 5 40 DIBB Cc1cccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)c1 5711147 KYWCXBQUSSOBEX-UHFFFAOYSA-N 307.353 4.373 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)NC1CCCCC1 6500628 WRQFFHWOUFNALK-UHFFFAOYSA-N 311.769 4.011 5 40 DIBB O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)cc3)sc2c1 59461234 UAUSGXHFJBDKHW-UHFFFAOYSA-N 319.773 4.470 5 40 DIBB Cc1c(C(=O)c2ccc3c4c(cccc24)CC3)cccc1[N+](=O)[O-] 226295660 LLSANFQFFZVZPB-UHFFFAOYSA-N 317.344 4.386 5 40 DIBB Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 14573617 OCYYWKITPRZKSX-KUCQQTCKSA-N 324.380 4.102 5 40 DIBB Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Br)cc1 888088139 SXNGRIAWHLRAEC-UHFFFAOYSA-N 308.131 4.458 5 40 DIBB O=[N+]([O-])c1cccc([C@@H]2NN=C3/C(=C/c4ccco4)CCC[C@H]32)c1 5119908 WEGBXOIQAUTKCU-NSNJOPQOSA-N 323.352 4.072 5 40 DIBB Cc1[nH]c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2c1C 9551732 VTHMBJUCPYPIII-UHFFFAOYSA-N 324.336 4.050 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cccc2ccccc12 4070639 VHZIQCCJTMZUFI-UHFFFAOYSA-N 320.348 4.238 5 40 DIBB Cc1cc(C)cc(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 41146138 BIOQOPXSNRAIGW-LBPRGKRZSA-N 311.341 4.228 5 40 DIBB CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC)cc1 1607028 ZVZVESDQWHFWRE-UHFFFAOYSA-N 306.538 4.440 5 40 DIBB Cc1c(C)n(Cc2ccco2)c2ncn3c4ccccc4nc3c12 6665657 KRSUQASNOCRNGI-UHFFFAOYSA-N 316.364 4.095 5 40 DIBB Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc1 6966288 BWOJBUQRXKSYIO-UHFFFAOYSA-N 301.371 4.021 5 40 DIBB O=[N+]([O-])c1cccnc1N[C@@H](c1ccc(Cl)cc1)C1CC1 20669160 IDADEIQVJVMHRU-CQSZACIVSA-N 303.749 4.206 5 40 DIBB Cc1ccc(C)c(NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 2662390 BAUPOOUUADRDDP-UHFFFAOYSA-N 319.361 4.160 5 40 DIBB Cc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1739696 LPPHRSFZDANGND-UHFFFAOYSA-N 323.711 4.340 5 40 DIBB Cn1c2nc3ccccc3nc2c2cccc(C(F)(F)F)c21 9420150 NTYACQAZYRVRKZ-UHFFFAOYSA-N 301.271 4.294 5 40 DIBB C[C@H]1CCc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)csc2C1 5235402 BUNVXMVVBSRHCT-JTQLQIEISA-N 316.382 4.033 5 40 DIBB C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[N+](=O)[O-] 227149545 VSDSWODDHPSNCL-SOFGYWHQSA-N 308.677 4.146 5 40 DIBB CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CCC2(C)C 1758687 JUUCCBUPZJYNFT-UHFFFAOYSA-N 306.362 4.414 5 40 DIBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 26774934 AIUUNDCHFCMCIF-SECBINFHSA-N 311.263 4.182 5 40 DIBB CCc1ccc([C@H]2C[C@@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 83825410 WENGAHUEUSCZLE-SWLSCSKDSA-N 315.373 4.123 5 40 DIBB O=[N+]([O-])c1ccc(N2[C@H](c3ccccc3)C2(Cl)Cl)cc1 4363332 IYKADAZSWAECEO-FWJOYPJLSA-N 309.152 4.288 5 40 DIBB Cc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 7781280 GPELWYQWAQIIIM-UHFFFAOYSA-N 315.716 4.274 5 40 DIBB CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])cc1Cl 2736960 ZTLFUUFVAPCCMB-UHFFFAOYSA-N 312.797 4.291 5 40 DIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1C(C)C 52979276 RCZPSBOFJMONAL-UHFFFAOYSA-N 320.370 4.041 5 40 DIBB Cc1c(C(=O)Oc2cccc3ccccc23)cccc1[N+](=O)[O-] 1516353 RYYXOBNSIMWMLS-UHFFFAOYSA-N 307.305 4.276 5 40 DIBB Cc1ccc(OCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 8506220 CZKPGRDYQQOVOX-UHFFFAOYSA-N 310.309 4.137 5 40 DIBB Cc1c(C)c(C)c(Sc2c([N+](=O)[O-])ncn2C)c(C)c1C 84008117 AKQMUZSYBXRUAJ-UHFFFAOYSA-N 305.403 4.022 5 40 DIBB Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2)oc2ccccc12 2631155 KLEYDFYZOONBKW-UHFFFAOYSA-N 311.293 4.006 5 40 DIBB Cc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1[N+](=O)[O-] 6232409 OLGNBUYSTNSMKG-UHFFFAOYSA-N 312.369 4.453 5 40 DIBB O=c1c2ccccc2oc2cc([C@@H](O)c3ccccc3)ccc12 17301944 OKCTVWIJMOAFFE-IBGZPJMESA-N 302.329 4.028 5 40 DIBB O=C(Nc1ccccc1F)c1ccc2nc3ccccc3nc2c1 96582906 QYTOMGNOPWQPIY-UHFFFAOYSA-N 317.323 4.174 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1N1COc2ccc3ccccc3c2C1 189058 RQOVVXSJTGXALK-UHFFFAOYSA-N 320.348 4.413 5 40 DIBB CC(C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 72015 HOMUYKAGUNUWBS-UHFFFAOYSA-N 322.368 4.273 5 40 DIBB C[N+]1(C/C=C/C(O)(c2ccccc2)c2ccccc2)CCCCC1 1258841 IITYWUIHIRNLCJ-LFIBNONCSA-N 322.472 4.109 5 40 DIBB Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 9690401 CSEWMTRNZGJIDZ-ZDUSSCGKSA-N 313.357 4.128 5 40 DIBB CC1(C)[C@H]2CC[C@@]1(C)C[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 100363084 CINAWMSAVSSRHF-XUWXXGDYSA-N 317.385 4.214 5 40 DIBB C[C@@H]1CC[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846102 OQNJODQUHPPDSK-SJKOYZFVSA-N 305.374 4.214 5 40 DIBB biogenic Cc1cc([N+](=O)[O-])cc2nc(Cc3ccc(Cl)cc3)oc12 73639281 XLGCYRAKPWGMSS-UHFFFAOYSA-N 302.717 4.289 5 40 DIBB CC[N+]1(Cc2ccccc2)C2=C(CN(C)CC2)c2ccccc21 20112532 UDZDTUFWJWBVSU-UHFFFAOYSA-N 305.445 4.274 5 40 DIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C)c(C)c1 72228647 SFFFRPQVSPCTSA-UHFFFAOYSA-N 312.369 4.335 5 40 DIBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 26774936 AIUUNDCHFCMCIF-VIFPVBQESA-N 311.263 4.182 5 40 DIBB Cc1nc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cs1 32825895 DEJCLYCEGRJLMA-UHFFFAOYSA-N 317.395 4.074 5 40 DIBB CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408613159 XSNBTARKCOXOTD-UHFFFAOYSA-N 316.357 4.004 5 40 DIBB CSc1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 2630814 LMEYYXNXLOALBJ-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc12 3149714 TYWRJUHIGVOSON-UHFFFAOYSA-N 306.321 4.309 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCCCC1 4276711 ASFBVMIFNSEGDI-UHFFFAOYSA-N 308.687 4.257 5 40 DIBB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 501413 IWGIOYXZMYSGKW-UHFFFAOYSA-N 312.369 4.036 5 40 DIBB CCCCN(CCCC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 4839448 DXKKSMGVIJRTPN-UHFFFAOYSA-N 312.797 4.291 5 40 DIBB CN1c2ccccc2CC[C@@H]1CCc1ccc([N+](C)(C)C)cc1 3845703 LORUANLEMKRMSP-IBGZPJMESA-N 309.477 4.267 5 40 DIBB CC[C@@H]1CCCCN1C(=O)c1cccc2nc3ccccc3nc12 76494966 IFWAMMZNPUYQAZ-CQSZACIVSA-N 319.408 4.188 5 40 DIBB O=C(c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1675857 PXLGUMVBFSDYGK-UHFFFAOYSA-N 303.317 4.493 5 40 DIBB CSc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 7684186 MJTZQPLLFUCMQK-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 92861 ZPEJDMGHIQTKJH-UHFFFAOYSA-N 313.140 4.184 5 40 DIBB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1 1508905 NOTGPRDBMREYMZ-UHFFFAOYSA-N 323.352 4.038 5 40 DIBB CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 7684185 GVJGAKOTLAWSDE-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB CCCCc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 222632886 QMUQPWVFZLGDAC-UHFFFAOYSA-N 314.341 4.379 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1ccccc1 6201757 ZKXGISROPCRENQ-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB Cc1ccn2c(C[N+](C)(C)C)c(-c3ccc(C)c(C)c3)nc2c1 61997476 IPYICEFBMGZMLR-UHFFFAOYSA-N 308.449 4.133 5 40 DIBB O=[N+]([O-])c1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1 6322687 CWYAUNOWXGNEAP-QPJJXVBHSA-N 321.292 4.222 5 40 DIBB O=[N+]([O-])C[C@@H](c1c(F)cccc1Cl)c1c[nH]c2ccccc12 2239656 ZRLIRSOYAMMXOK-GFCCVEGCSA-N 318.735 4.369 5 40 DIBB Cc1ccc(C(c2ccc(C)o2)c2cc([N+](=O)[O-])ccc2O)o1 19805292 MXESLGBKFVOPGQ-UHFFFAOYSA-N 313.309 4.283 5 40 DIBB biogenic CCc1ccccc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 4859640 SCVSNWVGRBFRQP-UHFFFAOYSA-N 310.309 4.007 5 40 DIBB Cc1nc(-c2ccc(O)cc2)cc2c1c(=O)oc1ccccc12 104321087 KPNYRGFDPAKQEN-UHFFFAOYSA-N 303.317 4.022 5 40 DIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(Cl)c1 45888889 BEPGOLCMQFMBRB-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CCOC(=O)c1cnc2c(ccc3cc(OC)ccc32)c1Cl 1556790 PRHZJPRDTRAZBW-UHFFFAOYSA-N 315.756 4.227 5 40 DIBB O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(Cl)c2)c1 5799347 ZAZVULHJRHKFQN-UHFFFAOYSA-N 307.762 4.057 5 40 DIBB Cc1noc(C)c1CSc1nc2ccc([N+](=O)[O-])cc2s1 13135476 RWLSXXVXTJKOOR-UHFFFAOYSA-N 321.383 4.102 5 40 DIBB CCCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 5597230 CRKGUKUVXGIPJQ-UHFFFAOYSA-N 314.341 4.026 5 40 DIBB C[C@@H]1[C@H]2C[C@@H]3C[C@@](C)(C2)C[C@@]1(Nc1ccc([N+](=O)[O-])cn1)C3 222368510 AHZHRJVWPDLFCV-YEJOONJESA-N 301.390 4.007 5 40 DIBB O=c1c2ccccc2n(Cc2ccc(F)cc2)c2ccccc12 4903480 DKHWCKMXVRBIRF-UHFFFAOYSA-N 303.336 4.342 5 40 DIBB CC(C)CCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 6000789 FURIWSWUOAFLTL-UHFFFAOYSA-N 324.376 4.426 5 40 DIBB O=C(CSc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 34990101 XGKRIFDHMNKIDD-UHFFFAOYSA-N 307.758 4.223 5 40 DIBB CN1c2ccccc2C(C)(C)[C@]12CCc1cc([N+](=O)[O-])ccc1O2 5261039 WQAHJHZUJKDOFM-LJQANCHMSA-N 324.380 4.044 5 40 DIBB Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 558004 KBKSXQDOQPZUBG-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1C 14258325 QPKFDNKCGGSRRX-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1ccccc1OCCNc1cc(Cl)ccc1[N+](=O)[O-] 4677186 XKQQYONLRRLXSZ-UHFFFAOYSA-N 306.749 4.048 5 40 DIBB O=[N+]([O-])c1cccc([C@H](O)c2ccc(-c3ccccc3)cc2)c1 226293526 ACPSZKUCNLRBSQ-LJQANCHMSA-N 305.333 4.344 5 40 DIBB Cc1ccc([N+](=O)[O-])c(NC(=S)Nc2ccccc2)c1C 6275930 MKJOOEBLSWTVIU-UHFFFAOYSA-N 301.371 4.021 5 40 DIBB CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 14602593 RXKQDXVUQSNBLQ-RORWEDLISA-N 324.380 4.184 5 40 DIBB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 223393888 REOFPEVXSWKBNP-CQSZACIVSA-N 312.369 4.011 5 40 DIBB Cc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2)c1Br 5336404 PJHMRZIKIAIUFV-UHFFFAOYSA-N 322.162 4.113 5 40 DIBB CC(C)(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 37979724 FEHMAFAVOBAJRH-UHFFFAOYSA-N 312.797 4.193 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(F)(F)F)c1 15410998 FNMAQDNECDCUGB-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c3c(cccc13)CC2 226295738 TZUBPPOWELEAHJ-UHFFFAOYSA-N 303.317 4.078 5 40 DIBB O=C(Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1)c1ccccc1 1641718 AELFRLXFEWLBAQ-UHFFFAOYSA-N 319.316 4.481 5 40 DIBB O=Cc1c2[nH]c3ccc(O)cc3c2cc2[nH]c3c(O)cccc3c12 77291734 VVEGFSNSOSMIJB-UHFFFAOYSA-N 316.316 4.179 5 40 DIBB in-vitro Cc1c2cnccc2c(C)c2c1c1ccccc1n2C[C@H]1CO1 13221020 DNUNVFXDBUOVBS-AWEZNQCLSA-N 302.377 4.358 5 40 DIBB Cc1cc2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2[nH]1 31653527 JCDOIJXVONFGOT-UHFFFAOYSA-N 312.285 4.036 5 40 DIBB CC(C)N(C(=O)c1ccc2nc3ccccc3nc2c1)C(C)C 107764204 SFZKHQWZRMQJMP-UHFFFAOYSA-N 307.397 4.042 5 40 DIBB Cc1cc(NC(=S)Nc2ccccc2)c([N+](=O)[O-])cc1C 6831163 PJRROQVNWLZGJZ-UHFFFAOYSA-N 301.371 4.021 5 40 DIBB Cc1ccc(NC(=O)Oc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 5208434 XQUPROHWJDSAPC-UHFFFAOYSA-N 324.695 4.307 5 40 DIBB O=C(CNc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 5595624 JOTSKQSASFHKRZ-UHFFFAOYSA-N 306.321 4.043 5 40 DIBB O=Cc1c2[nH]c3ccc(O)cc3c2cc2[nH]c3ccc(O)cc3c12 77291732 ASRXEXWTTPEQEV-UHFFFAOYSA-N 316.316 4.179 5 40 DIBB in-vitro O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)Cc1ccccc1-2 226297040 UVCHFPRFNZNPOZ-UHFFFAOYSA-N 315.328 4.397 5 40 DIBB O=[N+]([O-])c1ccc(-c2nnc(SCC3CCCCC3)o2)cc1 411365 XHUIYEZODLAUQK-UHFFFAOYSA-N 319.386 4.317 5 40 DIBB CCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] 20897650 XGQPTWROHDGKGT-UHFFFAOYSA-N 324.340 4.052 5 40 DIBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3Cl)nc2c1 59485289 KCERJBWPHIPYEA-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 5344468 XSJSXXGJYQBQJB-UHFFFAOYSA-N 309.684 4.031 5 40 DIBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1 408611504 SOFFJYXLYBMNMY-UHFFFAOYSA-N 313.140 4.219 5 40 DIBB Cc1cccc(NC(=O)c2cccc3nc4ccccc4nc23)c1 5747933 LEYKDKDJQOIYMK-UHFFFAOYSA-N 313.360 4.344 5 40 DIBB COc1ccc([C@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])cc1 21364111 OZNLPJBAGQGZNU-OAHLLOKOSA-N 316.332 4.084 5 40 DIBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cccc2ccccc12 5011770 SIKRUWBIRMQZCG-UHFFFAOYSA-N 308.293 4.190 5 40 DIBB CCC1CCC(c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 208887 FTEZMEFETSHPOJ-UHFFFAOYSA-N 301.346 4.329 5 40 DIBB Cc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 14258326 QAKWQBZRPQYZRI-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CCCCSCCSc1ccc(C(C)=O)cc1[N+](=O)[O-] 6264513 SFHJWARXTTZQOK-UHFFFAOYSA-N 313.444 4.423 5 40 DIBB CCc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 9141722 QIKIKLOJLGSGID-UHFFFAOYSA-N 304.733 4.063 5 40 DIBB Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 4927461 JKIJYTVRIUAHMF-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 5379271 KPZFKTJXOYTRBZ-UHFFFAOYSA-N 306.321 4.309 5 40 DIBB CC(C)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 12821779 JKMPXXUSUWRYGQ-INIZCTEOSA-N 312.369 4.112 5 40 DIBB CC(C)c1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 20898139 WOMJBAHUZVABIC-UHFFFAOYSA-N 316.361 4.123 5 40 DIBB Cc1cc2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc2[nH]1 40072703 ZONQXTAIBKXNKD-RMKNXTFCSA-N 321.336 4.036 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 59351127 LYJYULYQNVNLFD-CQSZACIVSA-N 312.369 4.011 5 40 DIBB Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc2[nH]1 36394534 QRKMNPOIVYYTQI-UHFFFAOYSA-N 315.354 4.007 5 40 DIBB c1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1 383321 OVGLRXMIGWENAR-UHFFFAOYSA-N 302.362 4.111 5 40 DIBB CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] 72277129 DTFYXKLWFXLUQQ-JKSUJKDBSA-N 311.385 4.152 5 40 DIBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2Br)cc1 888088118 IDPQCYHHRJFKPB-UHFFFAOYSA-N 324.130 4.158 5 40 DIBB O=[N+]([O-])c1ccccc1CN(C1CC1)[C@@H]1CCc2ccccc21 84581879 PBQGIRSSGVUTKI-LJQANCHMSA-N 308.381 4.247 5 40 DIBB O=[N+]([O-])c1ccc(Sc2ncc3ccccn23)c(Cl)c1 18901192 DEMKFHQNSSEQQB-UHFFFAOYSA-N 305.746 4.047 5 40 DIBB CCc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 10328246 MHVCNMGGIMWJLY-UHFFFAOYSA-N 312.369 4.037 5 40 DIBB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 225293 DEMMRJADWMDFKN-UHFFFAOYSA-N 319.316 4.481 5 40 DIBB O=[N+]([O-])c1cc(Cl)cc(Br)c1N1CCCCC1 45886170 ZZQZMCSZGQEVQP-UHFFFAOYSA-N 319.586 4.001 5 40 DIBB CC(C)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c2c1=O 685937919 AZARFCOJQQCNHU-UHFFFAOYSA-N 308.337 4.227 5 40 DIBB O=[N+]([O-])c1cc(CN2CCC[C@H]2CCc2ccccc2)cs1 84528477 CVXLJGANTSMEQG-INIZCTEOSA-N 316.426 4.254 5 40 DIBB CC1(C)[C@@H]2CC[C@]1(C)C[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 100363077 CINAWMSAVSSRHF-DDUZABMNSA-N 317.385 4.214 5 40 DIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1cccs1 6660874 FRYRTKMMBZOREQ-UHFFFAOYSA-N 321.357 4.260 5 40 DIBB CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C 7530301 GQOSYIHTPQUZFD-UHFFFAOYSA-N 315.398 4.127 5 40 DIBB CC[C@@H](C)N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 57134889 CSYVNDZTLDXMPB-GFCCVEGCSA-N 323.392 4.205 5 40 DIBB O=C(Sc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1 256791 JITWTEFQSDRTGA-UHFFFAOYSA-N 310.334 4.076 5 40 DIBB O=C(Nc1cccc(F)c1)c1cccc2nc3ccccc3nc12 5258871 YVROTXDWVVYZHS-UHFFFAOYSA-N 317.323 4.174 5 40 DIBB CC(C)N(C(=O)Nc1cc2cccnc2c2ncccc12)C(C)C 6306982 NJHPSYDFKIFYKR-UHFFFAOYSA-N 322.412 4.434 5 40 DIBB CCOc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1 408554773 DGUGYZNOJZZBLA-UHFFFAOYSA-N 306.749 4.259 5 40 DIBB CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5421224 XOGLBFUDOWUBEC-NSHDSACASA-N 312.797 4.194 5 40 DIBB Cc1ccc(C)c(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 41146144 SJZONIUZJIVMEI-GFCCVEGCSA-N 311.341 4.228 5 40 DIBB O=[N+]([O-])c1ccc(/C(=C/c2cncs2)c2ccncc2)cc1 129977723 AHFLGVGURVKDNQ-SXGWCWSVSA-N 309.350 4.035 5 40 DIBB O=c1c2cccc3c(Cl)ccc(c32)c2nc3ccccc3n12 353969 OUBUQBQRMRAFCS-UHFFFAOYSA-N 304.736 4.245 5 40 DIBB COc1ccc([C@H](O)c2c(C)ccc3ccccc23)cc1[N+](=O)[O-] 226294382 LZIKWNQEOLHESJ-IBGZPJMESA-N 323.348 4.147 5 40 DIBB Cc1c(NC(=O)[C@@H](C)Sc2ccccc2)cccc1[N+](=O)[O-] 563047 BQEFEEXWXIOTIS-GFCCVEGCSA-N 316.382 4.023 5 40 DIBB Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-] 3199831 AGMZCNHVNIVVES-UHFFFAOYSA-N 300.314 4.404 5 40 DIBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)cc1 138274264 NDJCGDRWPQSLRR-NJAFHUGGSA-N 310.353 4.229 5 40 DIBB CCN(CC)C(=S)Nc1ccc2cc3ccccc3nc2c1 409189987 PDBLUMRFXUXYMF-UHFFFAOYSA-N 309.438 4.427 5 40 DIBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccccc1 5033343 LZKLZVGTKKRGKJ-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB Cc1ccc2nc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)ccc2c1 36811057 FJWUWEFQTIKQFR-ZZXKWVIFSA-N 306.321 4.327 5 40 DIBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)Cc1ccccc1)C2 102476960 NKTJJBPQZBFCRF-SFHLNBCPSA-N 316.509 4.494 5 40 DIBB O=C(Oc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 3185860 MAUQMVAQUILJIL-UHFFFAOYSA-N 319.316 4.481 5 40 DIBB Cc1cc2ncc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc2cc1C 77024305 HNNZXBQIPQCETR-UHFFFAOYSA-N 318.336 4.303 5 40 DIBB Cc1cc(NC(=O)c2cccnc2)c2ccc3ccccc3c2n1 40384430 ROXPXPMOMHTJLU-UHFFFAOYSA-N 313.360 4.344 5 40 DIBB O=[N+]([O-])c1cccc(-c2csc(N3CCc4ccccc43)n2)c1 59720733 SVUVCGDZXYGFQO-UHFFFAOYSA-N 323.377 4.413 5 40 DIBB O=[N+]([O-])c1c(NCc2csc3ccccc23)nc2ccccn12 95356647 KYISBYBSMOHVBW-UHFFFAOYSA-N 324.365 4.069 5 40 DIBB CC1(C)[C@@H]2C=C(CCOC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2 507744 GXRPVFVRODPSDI-CABCVRRESA-N 315.369 4.134 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccs3)no2)c1 89262494 PEYIMAXETRUMCX-UHFFFAOYSA-N 307.718 4.027 5 40 DIBB CN(c1ccccc1)c1cc2nc3ccccc3nc2cc1O 104190232 PDIZCOVXAZERKQ-UHFFFAOYSA-N 301.349 4.257 5 40 DIBB C[N+]12CCc3c([nH]c4ccccc34)[C@@H]1[C@@H]1CC(Cl)=CC[C@@H]1C2 4025815 PWQAMWMJMNBVIA-RDNZSNMPSA-N 313.852 4.374 5 40 DIBB O=C(Oc1ccc2nc3ccccc3nc2c1)c1ccccc1 14651280 TWMIPQVXTGBYAU-UHFFFAOYSA-N 300.317 4.002 5 40 DIBB biogenic O=[N+]([O-])c1ccccc1-c1ccc(-c2nnc(-c3ccco3)o2)o1 5034195 PWFCOJPRJDWCMF-UHFFFAOYSA-N 323.264 4.165 5 40 DIBB O=[N+]([O-])c1ccc(OCc2ccccc2)cc1/C=C/N1CCCC1 83764 MGEKYRBCSOMJOW-JLHYYAGUSA-N 324.380 4.240 5 40 DIBB CCSc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 20043865 XRLJWEAYTPTQCV-UHFFFAOYSA-N 316.382 4.268 5 40 DIBB Cc1ccc2ccccc2c1[C@H](O)c1cccc([N+](=O)[O-])c1C 226294262 GMGWUKMWHQUARI-LJQANCHMSA-N 307.349 4.447 5 40 DIBB O=C(Nc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 278644 GOIZVTQFOMWHTK-UHFFFAOYSA-N 308.293 4.107 5 40 DIBB O=C(/C=C/c1ccccc1Cl)OCc1ccc([N+](=O)[O-])cc1 3246278 BOJAQMUOHBPDDJ-JXMROGBWSA-N 317.728 4.005 5 40 DIBB Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(C)c1 4815097 UXSCWPWPKWUUDX-UHFFFAOYSA-N 318.720 4.145 5 40 DIBB CC(C)c1ccc(CNc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 70503634 IMBYRCXFHSXMPP-UHFFFAOYSA-N 314.341 4.029 5 40 DIBB CC[N+](CC)(CC)CCCC(F)(F)C(F)(F)Br 1083812961 OTIBYHIKFXPFTJ-UHFFFAOYSA-N 323.192 4.266 5 40 DIBB Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 12871291 MTLPZOBTRQJUKC-LBPRGKRZSA-N 324.336 4.140 5 40 DIBB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 12946187 MBKFVCMUEPJRNG-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB CC(C)(C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408925883 RPIKIXQJSOHJLA-GHRIWEEISA-N 324.380 4.050 5 40 DIBB Cc1sc2ncnc(Oc3ccccc3[N+](=O)[O-])c2c1C 3244993 XJDDIYUUVQOGJJ-UHFFFAOYSA-N 301.327 4.009 5 40 DIBB C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)[N+](=O)[O-] 5220659 IAQGMZWDHJIHIT-SOFGYWHQSA-N 308.677 4.146 5 40 DIBB O=[N+]([O-])c1c(Oc2cc(Cl)cc(Cl)c2)nc2ccccn12 21673711 MMYYSFPTSGXFQL-UHFFFAOYSA-N 324.123 4.342 5 40 DIBB O=[N+]([O-])c1cccc(N2COc3c(ccc4ccccc34)C2)c1 1679482 GCAWLSXZBLFREI-UHFFFAOYSA-N 306.321 4.105 5 40 DIBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 243273 ZGIWSVLMUXDXNN-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB O=[N+]([O-])c1ccccc1N1COc2ccc3ccccc3c2C1 4706014 YKYNBPFPKVCTRR-UHFFFAOYSA-N 306.321 4.105 5 40 DIBB O=C(CCCc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5003621 FYZJKTDQALRMKP-UHFFFAOYSA-N 318.760 4.210 5 40 DIBB CC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 5193878 QKTSAYHGKPREBM-UHFFFAOYSA-N 307.393 4.178 5 40 DIBB Cc1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]c1C 590141594 IXLDGYRNDHDXQU-UHFFFAOYSA-N 317.292 4.105 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 44903425 FHRHOXOIGCCGMU-NSHDSACASA-N 318.760 4.048 5 40 DIBB O=C(Oc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] 282062 FCYUBFTTYCDIKM-UHFFFAOYSA-N 312.108 4.121 5 40 DIBB Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2n1 9669099 MTQZOWILURSVLI-UHFFFAOYSA-N 321.336 4.012 5 40 DIBB Cc1ccc(OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])n1 92847 HUQMSALKPJXTIR-UHFFFAOYSA-N 313.140 4.184 5 40 DIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 7916164 MZRGQSFHHUYUMY-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 8773169 OXLCCXLHESAETR-UHFFFAOYSA-N 318.695 4.074 5 40 DIBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3F)no2)ccc1Cl 22120165 JETNVFTZBDBKTF-UHFFFAOYSA-N 319.679 4.104 5 40 DIBB CC(C)(C)NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408910905 MEUJEZDRBIXVGF-GHRIWEEISA-N 324.380 4.050 5 40 DIBB CC(=O)Nc1cccc(/C=C\C=C\c2cccc([N+](=O)[O-])c2)c1 17040051 LMUVCCGGKBYQAH-MFDSWNTHSA-N 308.337 4.280 5 40 DIBB Cc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1 281813 WUAVDTAOAGEVKY-UHFFFAOYSA-N 324.380 4.354 5 40 DIBB Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 13811977 BREVPEMQXBJJKE-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB Cc1nnc(-c2ccc(N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 97232153 SBYMOPAZZFIUOD-LLVKDONJSA-N 324.340 4.126 5 40 DIBB CC(C)N(C(=O)Nc1cc2ccncc2c2ncccc12)C(C)C 408975268 LOJREFBAYPOJQL-UHFFFAOYSA-N 322.412 4.434 5 40 DIBB CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 4294143 JVBLFLOFNGKDCX-VMPITWQZSA-N 321.716 4.085 5 40 DIBB CC[N+](C)(C)CC(C)(C)COC(=O)c1cc2cc(C)ccc2o1 4725778 OPZOZYKHHRXPPD-UHFFFAOYSA-N 318.437 4.021 5 40 DIBB CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1Br 226316941 WHHWAUBSGBTTKW-UHFFFAOYSA-N 307.147 4.125 5 40 DIBB Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 12792784 NJHZWIQFAKOHNX-LBPRGKRZSA-N 324.336 4.140 5 40 DIBB C[C@@H]1C[C@@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 226316669 GXDRCMWPIHRMED-RKDXNWHRSA-N 303.189 4.384 5 40 DIBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 44085338 FKJCGTQNIIKLJY-UHFFFAOYSA-N 311.366 4.169 5 40 DIBB CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 273714 HZHZCSJOXWNWQW-UHFFFAOYSA-N 320.348 4.415 5 40 DIBB CCCCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 5591168 JEZSVFCYLUBFAH-UHFFFAOYSA-N 312.369 4.119 5 40 DIBB CC1(C)c2ccccc2N2Cc3cc([N+](=O)[O-])ccc3O[C@@]21C 492369 GXAOQHFIZZYRSH-GOSISDBHSA-N 310.353 4.001 5 40 DIBB Cc1ccc([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C 59351169 AEDYXKYUNUBNMY-HQPKTYMTSA-N 324.380 4.102 5 40 DIBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 361397 YZXYULSZFMEWPR-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB Cc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] 4455686 QYYGHKPXPSGPLS-UHFFFAOYSA-N 321.340 4.180 5 40 DIBB Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 15790877 NZDJKNSQVOFBMP-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 12557487 XTXMAHDRBUJJSY-NSHDSACASA-N 311.316 4.455 5 40 DIBB CCN(CC)CCn1c2ccccc2c2nc3ccccc3nc21 330475 FPWJYPHBDVQSKR-UHFFFAOYSA-N 318.424 4.080 5 40 DIBB COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 5130170 UGALECXBZQNWRH-RUDMXATFSA-N 312.350 4.384 5 40 DIBB CC[N+](C)(CC)CCCCCC[N+]1(C)C[C@H]2CCCC[C@H]2C1 17315715 HVJWECFJJYLTJD-RLAPIPATSA-N 310.570 4.300 5 40 DIBB O=[N+]([O-])c1cccc([C@H]2NN=C3/C(=C/c4ccco4)CCC[C@@H]32)c1 13757815 WEGBXOIQAUTKCU-HZTRFMAJSA-N 323.352 4.072 5 40 DIBB O=c1c2ccccc2nc2c3ccccc3c(-c3ccccc3)nn12 351621 NAEGLBXZRZEUDX-UHFFFAOYSA-N 323.355 4.063 5 40 DIBB O=C(c1ccccc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 8186952 UBZFUUKQGREVOG-UHFFFAOYSA-N 323.355 4.495 5 40 DIBB O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1O 95351121 PZKIDLOBQQDINU-QHHAFSJGSA-N 316.700 4.265 5 40 DIBB O=[N+]([O-])c1cccc(N2COc3ccc4ccccc4c3C2)c1 189047 WSEHOPYMPJRJGA-UHFFFAOYSA-N 306.321 4.105 5 40 DIBB O=[N+]([O-])c1ccc(Nc2cccc(Nc3ccccc3)c2)nc1 32899382 TWBULJLDZRXJGT-UHFFFAOYSA-N 306.325 4.477 5 40 DIBB C[C@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)[O-] 77312618 VSUIGOJNZBMHQV-CYBMUJFWSA-N 300.427 4.252 5 40 DIBB in-vitro O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc2ccccc12 4078807 AFVSSYAYWFMQNF-CSKARUKUSA-N 324.361 4.461 5 40 DIBB O=C(Nc1cccc2ccccc12)OCc1ccc([N+](=O)[O-])cc1 16545015 ZEYQHKPFMXAVPX-UHFFFAOYSA-N 322.320 4.497 5 40 DIBB O=[N+]([O-])c1cc(CSc2ccc3c(c2)OCCCO3)cs1 54428563 IEVXAEZAJHQQLX-UHFFFAOYSA-N 323.395 4.110 5 40 DIBB CCCn1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c2ccccc21 408544901 VXNAEFDYKWGNIU-CMDGGOBGSA-N 311.341 4.426 5 40 DIBB CCC(=O)C(C[C@@H](C)[N+](C)(C)C)(c1ccccc1)c1ccccc1 1602971 NMVDHOFPDMNERE-GOSISDBHSA-N 324.488 4.437 5 40 DIBB C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1c1ccccc12 4945989 KYZCCAROKGUPKK-XVSDVWIESA-N 323.348 4.185 5 40 DIBB Cc1cc(C)c2c(n1)sc1c2ncn2c3ccccc3nc12 89684 DNCSRSWSQXXHND-UHFFFAOYSA-N 304.378 4.262 5 40 DIBB O=C(O)/C=C/c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 5248664 QIFPTCPXTUSAHG-VQHVLOKHSA-N 307.371 4.117 5 40 DIBB Cc1cc([N+](=O)[O-])c(-c2cc3ccccc3oc2=O)cc1Cl 216937438 NXPPAZFFPLQDBY-UHFFFAOYSA-N 315.712 4.330 5 40 DIBB CC1(C)[C@H]2CC[C@]1(C)C[C@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 245238903 CINAWMSAVSSRHF-DHSIGJKJSA-N 317.385 4.214 5 40 DIBB CC(=O)Nc1cccc(/C=C/C=C\c2ccc([N+](=O)[O-])cc2)c1 16981947 BIRWVTCLAPDPLN-JGDUWUCISA-N 308.337 4.280 5 40 DIBB C[C@@]12CC3CC(NCc4cccc([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 8534545 VSYAFWZCCKCBDO-AFGAAMFOSA-N 314.429 4.433 5 40 DIBB Cc1cc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 223393955 REOFPEVXSWKBNP-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 5107946 HFIADMKYXNWBRZ-GFCCVEGCSA-N 324.336 4.035 5 40 DIBB Cc1cc(OCc2cc(-c3ccccc3)on2)ccc1[N+](=O)[O-] 10320503 ZNGRRYCHXCQHNR-UHFFFAOYSA-N 310.309 4.137 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C 59351168 AEDYXKYUNUBNMY-TUPIDYKKSA-N 324.380 4.102 5 40 DIBB Cc1nn(C)c(Nc2cccc(Nc3ccccc3)c2)c1[N+](=O)[O-] 78727426 CKJOGHYNXMAPIZ-UHFFFAOYSA-N 323.356 4.124 5 40 DIBB O=[N+]([O-])c1cccc2nc(/C=C/c3ccc4c(c3)OCO4)ccc12 6649390 CNLXEPGPVJLWJH-GQCTYLIASA-N 320.304 4.042 5 40 DIBB O=C(O)c1cc(-c2ccccc2O)nc2c1ccc1ccccc12 3136169 BLLMMIUVSCYCLL-UHFFFAOYSA-N 315.328 4.459 5 40 DIBB O=C1c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800353 USELZCOGXDLZGU-CYBMUJFWSA-N 301.729 4.161 5 40 DIBB O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1[N+](=O)[O-] 5248431 XDIPOBQVBXLETD-UHFFFAOYSA-N 305.888 4.117 5 40 DIBB Cc1ccc([C@@H](O)c2c(C)ccc3ccccc23)cc1[N+](=O)[O-] 226294316 IUDFWLFJDLDQNK-LJQANCHMSA-N 307.349 4.447 5 40 DIBB CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)c(OCC)c1 408554230 CLVHOZQJNCDPAT-UHFFFAOYSA-N 316.357 4.004 5 40 DIBB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10288657 YQPFYNMPALQHKF-GFCCVEGCSA-N 314.341 4.024 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]21 12858410 YENWMUFPFCZVBN-UURKPOQGSA-N 306.514 4.259 5 40 DIBB biogenic Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1 6061392 ORZSTULFQRXYMY-GFCCVEGCSA-N 324.336 4.035 5 40 DIBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2cccs2)nc1 13016007 ZFNNMGJQUWGIDG-INIZCTEOSA-N 311.366 4.253 5 40 DIBB O=c1oc2ccccc2c(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 13635862 WRLVOFDUFXOOIC-UHFFFAOYSA-N 316.700 4.098 5 40 DIBB Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)[C@@H](C)CC2(C)C 1602721 PAIYSWYGWFYYGT-VIFPVBQESA-N 306.362 4.406 5 40 DIBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 5967032 WITRDGZMLNTVMD-SNVBAGLBSA-N 305.717 4.166 5 40 DIBB O=C(CCCSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 10217836 UTLNWXUZKHBGIH-UHFFFAOYSA-N 316.382 4.106 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)CCCN2Cc1cccc2cccnc12 89807985 AZJOQVFFAQRUCK-UHFFFAOYSA-N 319.364 4.096 5 40 DIBB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 587332 WXROONXUKIJHHN-FPYGCLRLSA-N 320.707 4.039 5 40 DIBB O=C(Nc1ccccc1)Nc1cc2ccncc2c2ncccc12 408974817 HCQIRIFOZDIQMR-UHFFFAOYSA-N 314.348 4.427 5 40 DIBB O=[N+]([O-])c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccccc1)N2 5741152 OPNFBLOCOBRQSN-QGTPRVQTSA-N 310.353 4.229 5 40 DIBB CCCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 45125314 MVNLCVOEBMHQHH-ZIAGYGMSSA-N 321.421 4.266 5 40 DIBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 311683 KZIASCZWZFYDLB-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22530591 BDBRXFKSFRRGKL-NSHDSACASA-N 318.760 4.048 5 40 DIBB Cc1cc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 40169737 ABBVUNYKHNNCAX-UHFFFAOYSA-N 314.732 4.009 5 40 DIBB Cc1cc(Oc2ncnc3sc(C)c(C)c23)ccc1[N+](=O)[O-] 8204979 ZCARIJVJNGRVKC-UHFFFAOYSA-N 315.354 4.317 5 40 DIBB COc1ccc2c(c1)c(=O)oc1c(C)c3c(cc12)CCC(C)(C)O3 8764719 QFEOTCMOMOMHDU-UHFFFAOYSA-N 324.376 4.367 5 40 DIBB biogenic COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Cl 10148766 OEXNEYUQQBVCTQ-UHFFFAOYSA-N 304.689 4.065 5 40 DIBB Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 11234082 NIVIJRIIUYMXGO-GOSISDBHSA-N 324.380 4.093 5 40 DIBB Cc1ccc2c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cccc2n1 21595706 KETNVISMIDJJAZ-UHFFFAOYSA-N 321.336 4.012 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2 4566236 UIORJGKJMUGVFX-UHFFFAOYSA-N 303.317 4.078 5 40 DIBB CC(=O)Nc1ccc(/C=C\C=C\c2cccc([N+](=O)[O-])c2)cc1 17423200 YESPFJRWKIDADA-JGDUWUCISA-N 308.337 4.280 5 40 DIBB O=c1oc2c3cc(Br)ccc3oc2c2ccccc12 19941826 CUWWVMZCOATNJZ-UHFFFAOYSA-N 315.122 4.455 5 40 DIBB O=C(c1sc2c([N+](=O)[O-])cccc2c1Cl)N1CCCCC1 20160274 NQDWURKDOPFELF-UHFFFAOYSA-N 324.789 4.089 5 40 DIBB Cc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] 23151940 FTKSEZLSXNRWDR-SFHVURJKSA-N 324.380 4.053 5 40 DIBB CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 30870968 SJBORFPVBQKCNU-HNNXBMFYSA-N 318.760 4.129 5 40 DIBB CCCC[C@H](CC)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 1808584 YZMBVYDSXJYBMB-NSHDSACASA-N 312.797 4.194 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 1382879 LZWKQUDNLNFCRK-GJZGRUSLSA-N 301.729 4.235 5 40 DIBB CC1(C)[C@@H]2CC=C(CCOC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]1C2 4800771 FSPIEEQLCZPVKH-GDBMZVCRSA-N 315.369 4.134 5 40 DIBB O=[N+]([O-])c1cccc(CSc2nc3ccc(Cl)cc3[nH]2)c1 5264963 FSHVFQLQEXHBMA-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB CC(=O)Cn1c2ccc(F)cc2c2nc3cc(C)c(C)cc3nc21 13729858 YHEJZHZEQVNFHT-UHFFFAOYSA-N 321.355 4.083 5 40 DIBB Cc1cc(C)c2c(CC(=O)Nc3ccccc3[N+](=O)[O-])coc2c1 39882769 DXRQSCHBDBTHNJ-UHFFFAOYSA-N 324.336 4.139 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)c(Br)cc1Cl 95486397 KHGAYEQQSRHWAT-UHFFFAOYSA-N 304.449 4.030 5 40 DIBB CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5951659 FKQFLIZVBPJYKV-UHFFFAOYSA-N 314.341 4.026 5 40 DIBB C[N@+]12CCCC[C@@H]1[C@H](COc1cccc3cccnc13)CCC2 247660993 SDWYKDOJNBOHCC-NJNPRVFISA-N 311.449 4.023 5 40 DIBB biogenic,in-vitro Cc1ccc(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1C 16903844 JYEOVEKRPPXQPD-LBPRGKRZSA-N 311.341 4.228 5 40 DIBB O=[N+]([O-])c1cccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)[nH]2)c1 67299952 ZSRKFUKHLVWEEM-UHFFFAOYSA-N 309.281 4.165 5 40 DIBB C[C@H]1CC[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846101 OQNJODQUHPPDSK-SJCJKPOMSA-N 305.374 4.214 5 40 DIBB biogenic O=C(Nc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 9154427 RFZRIMPPSWPTNS-UHFFFAOYSA-N 316.313 4.201 5 40 DIBB O=[N+]([O-])c1ccc(NCCC23CC4CC(CC(C4)C2)C3)nc1 12862131 WVBLSSRKKLHHJA-UHFFFAOYSA-N 301.390 4.008 5 40 DIBB O=[N+]([O-])c1cccnc1N[C@H](c1ccc(Cl)cc1)C1CC1 20669159 IDADEIQVJVMHRU-AWEZNQCLSA-N 303.749 4.206 5 40 DIBB COc1cc(N[C@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1F 79099357 IWICGMBATBXEFT-SECBINFHSA-N 308.309 4.125 5 40 DIBB CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1Cl 1572559 FECPDBHYQBTQGR-UHFFFAOYSA-N 301.773 4.446 5 40 DIBB COc1ccccc1Oc1ccc(Br)cc1[N+](=O)[O-] 48760035 XGPKIUUWUWVNTK-UHFFFAOYSA-N 324.130 4.158 5 40 DIBB CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 83825408 WENGAHUEUSCZLE-WFASDCNBSA-N 315.373 4.123 5 40 DIBB Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 325111 UNRCHVDLUCDXLX-UHFFFAOYSA-N 313.353 4.420 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1N1COc2ccc3ccccc3c2C1 4957227 MBLJDHFCHFOQFU-UHFFFAOYSA-N 320.348 4.413 5 40 DIBB CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 17742598 YDIHWUAFVWTCSL-CQSZACIVSA-N 319.386 4.175 5 40 DIBB CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] 72277127 DTFYXKLWFXLUQQ-HOTGVXAUSA-N 311.385 4.152 5 40 DIBB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c2ccccc12 169800226 PDCHVVOMKBQXNW-GOSISDBHSA-N 321.332 4.053 5 40 DIBB COc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1691572 PVNVOWOYSZKAII-UHFFFAOYSA-N 313.231 4.415 5 40 DIBB Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ncccc1[N+](=O)[O-] 58356670 ZJNDDPJJYKYXNY-GFCCVEGCSA-N 301.346 4.017 5 40 DIBB Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 278650 JVVDFUCAKIYZTB-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB Cc1c(C(=O)Nc2ccc3ccccc3c2)cccc1[N+](=O)[O-] 259090 IOGBHGFBOHUJPY-UHFFFAOYSA-N 306.321 4.309 5 40 DIBB C/C(=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1)[N+](=O)[O-] 3206431 LAYHTIIIJFIZIC-DHZHZOJOSA-N 302.286 4.109 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccccc1 22500095 UNOWLXBGNYLXOT-GFCCVEGCSA-N 316.382 4.023 5 40 DIBB O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CCCC2)c(F)c1 40153850 WFESTOZVYXIRJN-UHFFFAOYSA-N 319.311 4.217 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccccc2)CC1 78985072 ZJXTXYDYMXSIBG-UHFFFAOYSA-N 324.380 4.003 5 40 DIBB CC(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 8750071 LXRPTWNYSLZIPE-INIZCTEOSA-N 313.357 4.114 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 20107912 KUVBBJBNDINVCV-CQSZACIVSA-N 312.369 4.011 5 40 DIBB CC[N+](C)(CC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 1756666 XTALPUOQNTXSHU-UHFFFAOYSA-N 318.505 4.276 5 40 DIBB OCCCNc1nc2cc(Cl)ccc2c2ccc(Cl)cc12 1729108 NPMYLGSWTFRJPB-UHFFFAOYSA-N 321.207 4.489 5 40 DIBB O=C(OC12CCCCC1CCCC2)c1ccc([N+](=O)[O-])cc1 1728641 IOGMREWJBIKAMV-UHFFFAOYSA-N 303.358 4.255 5 40 DIBB CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1C 5455591 RORXCBGOPLYUIZ-UHFFFAOYSA-N 318.760 4.223 5 40 DIBB Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 14573719 YRJUKOBPNMECAM-BOLDSZDNSA-N 324.380 4.102 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 74363956 WLKJEHNDVOWVAR-LLVKDONJSA-N 318.760 4.048 5 40 DIBB CC(=O)Nc1cccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)c1 1619317 BIRWVTCLAPDPLN-BUSIMMOISA-N 308.337 4.280 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1 22120221 QPBVQPJXEGAIGG-UHFFFAOYSA-N 319.679 4.104 5 40 DIBB O=[N+]([O-])c1ccc(OCc2csc(-c3ccccc3)n2)cc1 5106926 ZFBBKIGDOQSZTB-UHFFFAOYSA-N 312.350 4.297 5 40 DIBB CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(C)c1 9095417 IFQYELLZPHHUCH-UHFFFAOYSA-N 312.369 4.268 5 40 DIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1 19179811 HAGARZGUOBYLFB-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 31332128 CQMUEJBZILTEGY-SECBINFHSA-N 324.789 4.143 5 40 DIBB CCCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 45125316 MVNLCVOEBMHQHH-UONOGXRCSA-N 321.421 4.266 5 40 DIBB C[N+]1(C)[C@H]2CCCCCC[C@@H]2[N+](C)(C)[C@@H]2CCCCCC[C@H]21 5030122 IGDCMQBWZFLQOX-FGYAAKKASA-N 308.554 4.336 5 40 DIBB Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)[C@H](C)CC2(C)C 4429870 PAIYSWYGWFYYGT-SECBINFHSA-N 306.362 4.406 5 40 DIBB CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 24503447 WLPGWFADRWPDFG-UHFFFAOYSA-N 318.760 4.453 5 40 DIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2o1 58394222 YCBHVKPOQDWNMV-UHFFFAOYSA-N 317.732 4.026 5 40 DIBB O=[N+]([O-])C1=C2C3=CC=CC4=CC=C[C@H]([C@@H]43)[C@@H]3C=CC=C(C=C1)[C@H]23 263584187 LSJTYSQNDCBQTB-SAKMYQHLSA-N 301.345 4.054 5 40 DIBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 4013268 FAVDDVFCEHOGER-VBNZEHGJSA-N 305.374 4.212 5 40 DIBB Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 4036961 SFWFPHMFYBPXLC-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB O=C(NCCC1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl 13672110 IUAZKEPMGYSZQY-UHFFFAOYSA-N 324.808 4.339 5 40 DIBB C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 18174659 GIYOCPHZSFSFKX-JTQLQIEISA-N 319.748 4.131 5 40 DIBB O=[N+]([O-])c1ccc2nc(Nc3nc4ccccc4o3)sc2c1 57352537 DLWXDCKSKZNQDJ-UHFFFAOYSA-N 312.310 4.089 5 40 DIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc2ccccc2o1 72228659 LPTGGEVGQDTUFQ-UHFFFAOYSA-N 324.336 4.464 5 40 DIBB Cc1ccc(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 4474619 BCSSOYCHLKRKLR-UHFFFAOYSA-N 304.327 4.271 5 40 DIBB O=[N+]([O-])c1cc(Cl)c(N2CCCCC2)c(Br)c1 45885776 LWZBVBSPARVGKG-UHFFFAOYSA-N 319.586 4.001 5 40 DIBB Cc1cc(C(=O)OCc2cccc3ccccc23)ccc1[N+](=O)[O-] 515397 NYYNCVFSDOUKCA-UHFFFAOYSA-N 321.332 4.413 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1ccccc1F 6922031 MDZHQHZFMRATHQ-UHFFFAOYSA-N 323.711 4.340 5 40 DIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc2ccccc2o1 72228658 MJJYDXYDOZRSTH-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB CCCCN(CCCC)c1c([N+](=O)[O-])c(=O)oc2ccccc12 3900619 GOKWVXKBJOGEIH-UHFFFAOYSA-N 318.373 4.108 5 40 DIBB Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 11234075 NIVIJRIIUYMXGO-SFHVURJKSA-N 324.380 4.093 5 40 DIBB CCN(CC)CCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 72301758 MRGCCQOBPRZNNO-UHFFFAOYSA-N 322.352 4.048 5 40 DIBB CCc1ccc(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 76555401 JMGQXFHULHGWOP-LLVKDONJSA-N 311.341 4.174 5 40 DIBB C[N+]12CCc3c([nH]c4ccccc34)[C@H]1[C@H]1CC(Cl)=CC[C@H]1C2 106533955 PWQAMWMJMNBVIA-WXBAZKPJSA-N 313.852 4.374 5 40 DIBB Cc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 225679088 HSEWVYASDLFHKB-UHFFFAOYSA-N 312.369 4.091 5 40 DIBB C[N+]1(C[C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)CCCCC1 1318639 VOCKPMDIHQHJAT-YRPNKDGESA-N 304.498 4.301 5 40 DIBB CC1(C)[C@H](CC[N+]2(C)CCCCC2)C[C@@H]1C[N+]1(C)CCCCC1 3171948 WLXMWQVXXGMOTH-WOJBJXKFSA-N 322.581 4.300 5 40 DIBB Cc1ccccc1Oc1ccc(Br)cc1[N+](=O)[O-] 72206764 HCCOCMCCPHUKRS-UHFFFAOYSA-N 308.131 4.458 5 40 DIBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(C)c1 6922374 QPUGRTGTDFFLHQ-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1oc2ccccc2c1C 8268462 NHLOEDSZPISJDQ-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB Clc1ccc2nc3sc4nc5ccccc5n4c3nc2c1 16545580 FSSGRZHHPUCQMY-UHFFFAOYSA-N 310.769 4.299 5 40 DIBB CSc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 3449104 NGSHKHGRHUBJAT-UHFFFAOYSA-N 316.382 4.186 5 40 DIBB COc1cc([N+](=O)[O-])c(OC)cc1Sc1ccc(C)cc1 362335 PDJISJMRQRYBGA-UHFFFAOYSA-N 305.355 4.072 5 40 DIBB C[C@H](NCc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 8497379 XHWWQRNMNNOQIT-GOBPUOAWSA-N 314.429 4.289 5 40 DIBB Cc1ccc(Sc2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])cc1 160621 ZEEXVYNJSAWEML-WEVVVXLNSA-N 315.350 4.152 5 40 DIBB Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 12871284 MTLPZOBTRQJUKC-GFCCVEGCSA-N 324.336 4.140 5 40 DIBB CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)C(C)C 1600038 WSWVBQPLEKBTBR-UHFFFAOYSA-N 320.433 4.279 5 40 DIBB CC(=O)c1ccc(Nc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 225208967 BANNFTLZYMWZCN-UHFFFAOYSA-N 308.696 4.334 5 40 DIBB Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 16249317 JFMHIEADYLXSAQ-UHFFFAOYSA-N 320.563 4.358 5 40 DIBB COc1ccc([C@@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])cc1 21364104 OZNLPJBAGQGZNU-HNNXBMFYSA-N 316.332 4.084 5 40 DIBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 25371079 OCCGWMVPBTWDRO-MRVPVSSYSA-N 312.156 4.470 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1382877 LZWKQUDNLNFCRK-LSDHHAIUSA-N 301.729 4.235 5 40 DIBB CC(=O)Nc1cccc(/C=C/C=C/c2cccc([N+](=O)[O-])c2)c1 1749043 LMUVCCGGKBYQAH-YPCIICBESA-N 308.337 4.280 5 40 DIBB Cc1ccc2c(c1)C(C)(C)[C@]1(C)Oc3ccc([N+](=O)[O-])cc3CN21 5337705 NJLPYVTXWBLNJW-IBGZPJMESA-N 324.380 4.310 5 40 DIBB Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 12792781 NJHZWIQFAKOHNX-GFCCVEGCSA-N 324.336 4.140 5 40 DIBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)Cc1ccccc1)C2 2281346 NKTJJBPQZBFCRF-QKNQBKEWSA-N 316.509 4.494 5 40 DIBB Cc1cccc(C)c1Nc1cc(Cl)c2nonc2c1[N+](=O)[O-] 5249965 VAKLPJNHWVQZAT-UHFFFAOYSA-N 318.720 4.145 5 40 DIBB Cc1nc2c(c3c1oc1ccc([N+](=O)[O-])cc13)C(=O)CC(C)(C)C2 5350112 DGZPPLQNXNGRNP-UHFFFAOYSA-N 324.336 4.353 5 40 DIBB O=[N+]([O-])c1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1 13233969 GKUYSMAHFFSILG-UHFFFAOYSA-N 311.366 4.277 5 40 DIBB Cc1ccc(-c2nc(COc3cc(C)ccc3[N+](=O)[O-])co2)cc1 22974238 KKGSRWRRVXIPQJ-UHFFFAOYSA-N 324.336 4.446 5 40 DIBB Cc1c(NC(=O)N(C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 43346783 HIVFYENQYGRACI-CYBMUJFWSA-N 313.357 4.128 5 40 DIBB Cc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 408601979 MQAYWZHHFSGHKN-UHFFFAOYSA-N 310.136 4.441 5 40 DIBB Cc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2 5552848 NASAKXKBHSYELP-UHFFFAOYSA-N 305.377 4.184 5 40 DIBB Cc1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 8780316 QIXABBSTGJFLNE-UHFFFAOYSA-N 313.140 4.184 5 40 DIBB Cc1cc(C)c(SC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 1688808 GCIHWBKXTJXORH-UHFFFAOYSA-N 301.367 4.453 5 40 DIBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])OC[C@@H]1C[C@@H]2C=C[C@H]1C2 4800844 GNJIICQGFAXUAR-VWYCJHECSA-N 322.748 4.009 5 40 DIBB O=[N+]([O-])c1ncccc1OCc1ccc(-c2ccccc2)cc1 7045111 YUKYMIJJJNSXCI-UHFFFAOYSA-N 306.321 4.236 5 40 DIBB CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 7036996 HAMRKTXYMCPVOW-QGZVFWFLSA-N 312.369 4.112 5 40 DIBB O=C(Nc1cccc2ccccc12)OCc1cccc([N+](=O)[O-])c1 16545020 ZCCVMYDPBLVOTL-UHFFFAOYSA-N 322.320 4.497 5 40 DIBB O=C(O)c1cc(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc12 13339851 MNGADIMNZOGCNI-CMDGGOBGSA-N 320.304 4.012 5 40 DIBB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 505706 YXZQPJQLXWYHLA-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CCN(CC)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 4860533 SFPJNXXUVKRYED-UHFFFAOYSA-N 322.368 4.051 5 40 DIBB Cc1cccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 7781279 LQDZYICDRQWVBR-UHFFFAOYSA-N 315.716 4.274 5 40 DIBB C[C@@H]1CC[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846100 OQNJODQUHPPDSK-PXAZEXFGSA-N 305.374 4.214 5 40 DIBB biogenic CCCCCCC(=O)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 6160050 CLHGWMQTHUTSQG-UHFFFAOYSA-N 307.375 4.060 5 40 DIBB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 311577 VGSBVVOTOAUCSW-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB CC(=O)c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 6262497 MPSAGSVQRCRDQV-UHFFFAOYSA-N 314.322 4.090 5 40 DIBB O=C(O)CCc1c2ccccc2c(CCC(=O)O)c2ccccc12 393260 PHRHANASDXMZLU-UHFFFAOYSA-N 322.360 4.027 5 40 DIBB O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1Cl 21303611 IRZPMVXKUOUERU-UHFFFAOYSA-N 304.449 4.030 5 40 DIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217866689 LQAKQUKUTPCRDS-QGZVFWFLSA-N 312.369 4.093 5 40 DIBB C[C@@H](NCc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 8534881 XHWWQRNMNNOQIT-SALMBKGGSA-N 314.429 4.289 5 40 DIBB c1ccc2c(c1)cnn1c3cc(N4CCCCC4)ccc3nc21 16545118 ZHSMFVQVJQGEEG-UHFFFAOYSA-N 302.381 4.026 5 40 DIBB O=Cc1c2[nH]c3c(O)cccc3c2cc2[nH]c3ccc(O)cc3c12 77291736 UUAFXFAMMPBEFH-UHFFFAOYSA-N 316.316 4.179 5 40 DIBB in-vitro CN(C(=O)c1ccc2nc3ccccc3nc2c1)c1ccccc1 96573914 WLDINQJBQLKOOA-UHFFFAOYSA-N 313.360 4.060 5 40 DIBB C[N+]12CCc3c([nH]c4ccccc34)[C@H]1[C@@H]1CC(Cl)=CC[C@H]1C2 106533953 PWQAMWMJMNBVIA-OMFBJBBOSA-N 313.852 4.374 5 40 DIBB Cc1ccc(NC(=O)c2sccc2C2CC2)cc1[N+](=O)[O-] 46438410 PEKMLKCHUDCWSV-UHFFFAOYSA-N 302.355 4.094 5 40 DIBB Cc1c(NC(=O)c2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] 17340430 BBAJBVQLKHKAIA-UHFFFAOYSA-N 310.353 4.034 5 40 DIBB O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1 11691802 JSYJCXQMDDFFJO-UHFFFAOYSA-N 308.124 4.445 5 40 DIBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 16468247 AZIJONYTIQSIHW-JTQLQIEISA-N 305.717 4.166 5 40 DIBB O=C(Cc1ccccc1)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 1726957 XWZNEAZCKHDSST-UHFFFAOYSA-N 317.344 4.272 5 40 DIBB biogenic Cc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 266450 WSNWPVSZDYSUDI-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB CC[C@H]1CCCCN1C(=O)c1cccc2nc3ccccc3nc12 76494970 IFWAMMZNPUYQAZ-AWEZNQCLSA-N 319.408 4.188 5 40 DIBB O=C(Nc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 12062408 KGKLIFKFUPGIEE-UHFFFAOYSA-N 315.328 4.199 5 40 DIBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C\C(=O)O)cc1 2534505 FUZVBDMKIZZNFS-WTKPLQERSA-N 315.350 4.152 5 40 DIBB O=[N+]([O-])c1ccc(F)cc1OCc1coc(-c2cccs2)n1 7005446 ATWUKYDUZZCAJC-UHFFFAOYSA-N 320.301 4.029 5 40 DIBB O=C(c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 207246545 FJTKZFLMMOSJLZ-UHFFFAOYSA-N 303.317 4.493 5 40 DIBB CC1CCN(C(=O)Nc2cc3cccnc3c3cccnc23)CC1 408977138 UMQYLQBFZXELPW-UHFFFAOYSA-N 320.396 4.047 5 40 DIBB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 311722 UAWQLGODLZUUKW-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB CCc1cccc(C)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 2648363 QFHOSLOIPQNIGC-ZDUSSCGKSA-N 312.369 4.208 5 40 DIBB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 13648408 QKGDFLQTNMIPLA-CQSZACIVSA-N 312.369 4.011 5 40 DIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc12 567815 LBZFWMRNYJDWPC-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 6603247 CDVDIZCHRKUDHQ-UHFFFAOYSA-N 307.305 4.105 5 40 DIBB O=[N+]([O-])c1ccc2nc(SCc3ccccc3)sc2c1 206150 MUEJWZLTELQEQI-UHFFFAOYSA-N 302.380 4.497 5 40 DIBB Cc1cc(C)c(NC(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 65590085 BXFVOGBGKQHXFW-UHFFFAOYSA-N 310.762 4.179 5 40 DIBB O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 72434020 UJTHPKKUXQAHEG-UHFFFAOYSA-N 312.108 4.267 5 40 DIBB CCOc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Cl 216730608 TXNQTTJGZJEKDF-UHFFFAOYSA-N 318.716 4.455 5 40 DIBB CN(CC1CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 83859096 KOZIXEXTAYYOCF-UHFFFAOYSA-N 308.687 4.113 5 40 DIBB COc1ccc2ccccc2c1CNc1cccc([N+](=O)[O-])c1 320163333 LJGWSHHSUFHPNQ-UHFFFAOYSA-N 308.337 4.369 5 40 DIBB COc1ccc2cc(C(=O)CC[N+]3(C)CCCCC3)ccc2c1 3846814 ACZBKHFVKJFGKQ-UHFFFAOYSA-N 312.433 4.052 5 40 DIBB O=[N+]([O-])c1ccc(Oc2ncnc3sccc23)c(Cl)c1 7780251 YWJUUWIBVQXPBM-UHFFFAOYSA-N 307.718 4.045 5 40 DIBB O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(C(F)(F)F)c1 95215524 IUIOJYGUUPQWKJ-UHFFFAOYSA-N 324.469 4.320 5 40 DIBB C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 18174658 GIYOCPHZSFSFKX-SNVBAGLBSA-N 319.748 4.131 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22530586 BDBRXFKSFRRGKL-LLVKDONJSA-N 318.760 4.048 5 40 DIBB O=[N+]([O-])c1c(Cl)sc(Sc2ccccc2)c1[N+](=O)[O-] 5279622 UHMUUEOMSKRVMD-UHFFFAOYSA-N 316.747 4.369 5 40 DIBB Cc1cc([C@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c(C)s1 31662790 LXYVAEUGEHFBBF-JTQLQIEISA-N 319.386 4.156 5 40 DIBB O=C(Nc1ccc(F)cc1)c1ccc2nc3ccccc3nc2c1 96582909 OBKAAEFDXCAUKJ-UHFFFAOYSA-N 317.323 4.174 5 40 DIBB CCc1ccc([C@@H]2C[C@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 83825403 WENGAHUEUSCZLE-DOMZBBRYSA-N 315.373 4.123 5 40 DIBB O=[N+]([O-])c1ccc(N[C@@H](Cc2ccccc2)c2ccccc2)nc1 12927955 VOYNSOWHEYVPRX-SFHVURJKSA-N 319.364 4.386 5 40 DIBB Nc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cs1 2574039 VPRZGYRVUYJXFX-UHFFFAOYSA-N 313.338 4.093 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1[C@@H]1CCc2ccccc2C1=O 169801361 BFMKDOCMIFCEGU-ZDUSSCGKSA-N 315.756 4.469 5 40 DIBB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc([N+](=O)[O-])c1 4698401 SMCJDFASTNJOQT-UHFFFAOYSA-N 314.385 4.140 5 40 DIBB Cc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] 8237684 HQDGTXOLECJKBE-LBPRGKRZSA-N 324.336 4.140 5 40 DIBB CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 14258303 IFAMHHPRPUCSAI-UHFFFAOYSA-N 304.733 4.063 5 40 DIBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 15228445 IHBZEBUBPFYVLC-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB CCC(CC)(CC)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1OC 1656034 NJTODFMQOAKSIR-UHFFFAOYSA-N 310.350 4.288 5 40 DIBB CCc1sc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 12934373 OOSGDKFUQMKJDF-UHFFFAOYSA-N 304.371 4.088 5 40 DIBB CCOc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Cl 216732280 UNOVXKROTVJFQP-UHFFFAOYSA-N 318.716 4.455 5 40 DIBB O=c1c2ccccc2oc2cc([C@H](O)c3ccccc3)ccc12 4801972 OKCTVWIJMOAFFE-LJQANCHMSA-N 302.329 4.028 5 40 DIBB O=C(O)Cc1ccc([N+](=O)[O-])cc1Sc1ccc(Cl)cc1 347449 DQZZZLZEMDPJMY-UHFFFAOYSA-N 323.757 4.027 5 40 DIBB Cc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccc(Cl)cc1 6816087 VDYACLOZHUQAAB-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB O=[N+]([O-])c1ncccc1OCc1sc2ccccc2c1Cl 24975550 HRBHPTSXSDDHOW-UHFFFAOYSA-N 320.757 4.437 5 40 DIBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 4508216 FCSJJUMQAIAXER-ZDUSSCGKSA-N 318.760 4.381 5 40 DIBB Cc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 5618225 KPHHIHDOHSTVAJ-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1c(CN2C(=O)c3cccc4cccc2c34)cccc1[N+](=O)[O-] 60817014 NUIHOAZDLVOJJC-UHFFFAOYSA-N 318.332 4.217 5 40 DIBB O=[N+]([O-])[C@@H]1[C@H](c2ccccc2)C12c1ccccc1-c1ccccc12 4973018 LWKKJTAKWDOTEK-VQTJNVASSA-N 313.356 4.396 5 40 DIBB CC(=O)Nc1cccc(/C=C/C=C\c2cccc([N+](=O)[O-])c2)c1 17040049 LMUVCCGGKBYQAH-BPMFVRGZSA-N 308.337 4.280 5 40 DIBB COc1ccc2c(C(=O)O)cc3c4ccccc4ncc3c2c1 1564874 OHISRDVZXOMIRZ-UHFFFAOYSA-N 303.317 4.248 5 40 DIBB O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2cccs2)nc1 13016009 ZFNNMGJQUWGIDG-MRXNPFEDSA-N 311.366 4.253 5 40 DIBB Cc1ccc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1 40169672 ALHGQWNWOVQFET-UHFFFAOYSA-N 314.732 4.009 5 40 DIBB C[N@+]12CCCC[C@H]1[C@@H](COc1cccc3cccnc13)CCC2 247660990 SDWYKDOJNBOHCC-KGVIQGDOSA-N 311.449 4.023 5 40 DIBB biogenic,in-vitro O=c1oc2ccc3ccccc3c2cc1-c1cn2ccccc2n1 348949 CPWWDKWQZMSUSN-UHFFFAOYSA-N 312.328 4.261 5 40 DIBB CSc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 563639 RHQAGHBZTNCYNE-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 162155 AZZVYIDATNYVSN-IBGZPJMESA-N 322.364 4.124 5 40 DIBB Cc1ccc(-c2csc(NCc3ccco3)n2)cc1[N+](=O)[O-] 21224884 DXFUBFHGKARHLK-UHFFFAOYSA-N 315.354 4.232 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCc3ccccc32)c1 35368194 ZOVPEFIUISQDNR-MRXNPFEDSA-N 302.761 4.025 5 40 DIBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(Cl)c3o2)cc1 85343030 AFKIZQKRNZQCQT-UHFFFAOYSA-N 304.689 4.065 5 40 DIBB COC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 259832 QLAPJCUFVLSUJK-UHFFFAOYSA-N 323.757 4.186 5 40 DIBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C 168318 CVSGPDIQMYZKIB-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CC(=O)[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3850166 KSQSZALWYBYMIV-HNNXBMFYSA-N 323.270 4.335 5 40 DIBB biogenic CCSc1nc2ccccc2n1Cc1ccccc1[N+](=O)[O-] 5386330 HSDMZHHECWAOQC-UHFFFAOYSA-N 313.382 4.105 5 40 DIBB O=C(O[C@H]1CCC/C=C/CCCC1)c1ccc([N+](=O)[O-])cc1 8649169 AOXGZHUREMOWOR-PYKQWIPUSA-N 303.358 4.421 5 40 DIBB O=[N+]([O-])c1ccc(N[C@@H]2CCc3ccccc3C2)c2ncccc12 89857938 BGHHXSFDCGJIEM-OAHLLOKOSA-N 319.364 4.112 5 40 DIBB Cc1noc(/C=C/c2ccc(-c3ccc(F)cc3)o2)c1[N+](=O)[O-] 107739156 JCXBPWKIQBXINQ-VQHVLOKHSA-N 314.272 4.461 5 40 DIBB O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1ccccc1 59474334 JKNRUOWMRBRRCJ-UHFFFAOYSA-N 314.340 4.372 5 40 DIBB O=[N+]([O-])[C@H]1[C@@H](c2ccccc2)C12c1ccccc1-c1ccccc12 4973015 LWKKJTAKWDOTEK-UXHICEINSA-N 313.356 4.396 5 40 DIBB O=[N+]([O-])c1ccc(O)c(/C=C/c2ccccc2OC(F)F)c1 67321439 QOYJUNLHTOAAMY-AATRIKPKSA-N 307.252 4.072 5 40 DIBB CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409118242 PIIJCIRWJGASKY-NBVRZTHBSA-N 324.380 4.052 5 40 DIBB CCN(CC)C[C@@H](O)c1ccc2ccc3ccc(O)cc3c2c1 1594877 IJBPZONJMXCXSW-HXUWFJFHSA-N 309.409 4.074 5 40 DIBB N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 5648603 IAKPCQNRUXXAOE-YBEGLDIGSA-N 304.374 4.132 5 40 DIBB CCCC[C@@H](CC)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 5793062 UZFTWUKDIFLXBZ-SNVBAGLBSA-N 321.402 4.359 5 40 DIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1Cl 45888912 DGPVJRREUMKFED-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CC1(C)[C@@H]2CC=C(CCOC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 101020755 FSPIEEQLCZPVKH-ZBFHGGJFSA-N 315.369 4.134 5 40 DIBB Cc1cc(NC(=O)c2ccccn2)c2ccc3ccccc3c2n1 40384455 WBYBURBQCPXZIR-UHFFFAOYSA-N 313.360 4.344 5 40 DIBB O=[N+]([O-])c1c(Cl)nc2c(Br)cccc2c1Cl 95098218 SELXGNVGVQMNND-UHFFFAOYSA-N 321.945 4.212 5 40 DIBB CO[C@H]1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1 3831544 PDYOTUCJOLELJU-AWEZNQCLSA-N 320.503 4.107 5 40 DIBB in-man Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3553924 FFLIDZCIKMPPAE-RUDMXATFSA-N 316.744 4.209 5 40 DIBB O=[N+]([O-])c1ccc(Nc2cccc(N3CCCC3)c2)c(F)c1 64914972 ZLPXQKPJRMUUPD-UHFFFAOYSA-N 301.321 4.078 5 40 DIBB COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Cl 73642115 DPTMMBZZEREBFP-UHFFFAOYSA-N 304.689 4.065 5 40 DIBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2C[C@@H]1c1ccccc12 100475252 KYZCCAROKGUPKK-BOFPYLFWSA-N 323.348 4.185 5 40 DIBB CC[C@@]1(C)c2c(cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])C(C)(C)[C@@H]1C 1747522 NRAOOQZZUHKVMH-MGPLVRAMSA-N 306.362 4.406 5 40 DIBB CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C 288716 DMBJHHNYOUSVSO-UHFFFAOYSA-N 318.760 4.223 5 40 DIBB CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 20456288 NEPYDORQNMWWPG-CQSZACIVSA-N 318.760 4.129 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 38756874 KJZZCWQGZSNCBB-XKOZXHHJSA-N 324.380 4.102 5 40 DIBB CC(C)(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 42704532 GGWKFZAJSLTOEL-UHFFFAOYSA-N 312.797 4.193 5 40 DIBB C[C@H]1CCCCN1C(=O)c1cc2ccccc2c2cccnc12 84692216 UFLIKFWUSUCRHF-AWEZNQCLSA-N 304.393 4.403 5 40 DIBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 341874 DQQMOTWTTKMESD-UHFFFAOYSA-N 306.321 4.309 5 40 DIBB CC(C)(C)C1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 18250303 MBZMAUXSWBHJCP-UHFFFAOYSA-N 304.390 4.386 5 40 DIBB Cc1cc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)s1 36395972 HNWHLDYZBGAXMO-SNVBAGLBSA-N 319.386 4.156 5 40 DIBB O=[N+]([O-])/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 107697361 HTOBZNRBFPXUKY-BQYQJAHWSA-N 307.708 4.306 5 40 DIBB COc1cc2cc3c4ccccc4cc[n+]3c(C)c2cc1OC 1678492 ZIIGGQWCUIDNJI-UHFFFAOYSA-N 304.369 4.057 5 40 DIBB O=C(Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 6926414 OKSFQQVVUAIULA-UHFFFAOYSA-N 309.684 4.031 5 40 DIBB Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 14573720 YRJUKOBPNMECAM-FEAKQIBJSA-N 324.380 4.102 5 40 DIBB CC(C)Nc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 12567803 HBYRLEZYAAEVJS-SECBINFHSA-N 324.431 4.120 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 106588565 YENWMUFPFCZVBN-ZSXDVEMLSA-N 306.514 4.259 5 40 DIBB Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 225648398 VBCRJYBDYDHLGF-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 22420138 GWINTPXPBSONOV-HNNXBMFYSA-N 305.765 4.452 5 40 DIBB CC[N+]1(C)CCc2c(c3ccccc3n2Cc2ccccc2)C1 1322405 TUNLZPOPDNTGFO-UHFFFAOYSA-N 305.445 4.212 5 40 DIBB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 2648343 MTXVYCJQIVESFG-NSHDSACASA-N 318.760 4.299 5 40 DIBB Cc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] 8237687 HQDGTXOLECJKBE-GFCCVEGCSA-N 324.336 4.140 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccccc1 15411295 PDYQSYNXWBXCEY-UHFFFAOYSA-N 316.382 4.024 5 40 DIBB O=[N+]([O-])c1ccc2nc3ccccc3nc2c1Nc1ccccc1 76495009 XELPJZWDDTXHEQ-UHFFFAOYSA-N 316.320 4.435 5 40 DIBB Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 224237975 DFEQIFMHODRRHW-UHFFFAOYSA-N 318.760 4.046 5 40 DIBB CC[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccc1 5333379 LJNWOTPBKXRGQE-UHFFFAOYSA-N 317.884 4.443 5 40 DIBB Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc1 6966309 KBHCHFASIIJRSX-UHFFFAOYSA-N 301.371 4.021 5 40 DIBB CCCCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 14031968 BJVQCESWXFCKLS-UHFFFAOYSA-N 314.341 4.026 5 40 DIBB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 33259 JFXPLNBSDOSNIB-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB CC1(C)[C@@H](C[N+]2(C)CCCCC2)C[C@@H]1CC[N+]1(C)CCCCC1 3171945 WLXMWQVXXGMOTH-VQTJNVASSA-N 322.581 4.300 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@H]12 4062740 YENWMUFPFCZVBN-BCYZHJNNSA-N 306.514 4.259 5 40 DIBB N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1 4141318 XTKDUAIYNRDASR-UHFFFAOYSA-N 314.344 4.318 5 40 DIBB Cc1ccc2oc(C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 5032576 ZICKBBVQIFKUCG-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc21 7153788 OJFGEMWELNHQEQ-UHFFFAOYSA-N 313.382 4.257 5 40 DIBB O=[N+]([O-])c1cc(-c2nc(-c3cccs3)no2)ccc1Cl 34797736 HSERHYBLARWKCH-UHFFFAOYSA-N 307.718 4.027 5 40 DIBB O=[N+]([O-])C1=C2C3=CC=CC4=CC=C[C@H]([C@@H]43)[C@@H]3C=CC=C(C=C1)[C@@H]23 263584185 LSJTYSQNDCBQTB-ILRDRHFLSA-N 301.345 4.054 5 40 DIBB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10288673 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324.380 4.050 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 72265950 DYCFAECYEHAARU-UHFFFAOYSA-N 307.231 4.157 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(F)cc3)no2)c1 22120225 ICHFDTHWGBVIMI-UHFFFAOYSA-N 319.679 4.104 5 40 DIBB Cc1cc2sc(NC(=O)C3CCCCC3)nc2cc1[N+](=O)[O-] 192899 XPTQVTBXARUFFP-UHFFFAOYSA-N 319.386 4.032 5 40 DIBB Cc1ccc(Cl)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 2648344 MTXVYCJQIVESFG-LLVKDONJSA-N 318.760 4.299 5 40 DIBB CC[C@@H](CO)Nc1nc2ccc(Cl)cc2c2ccccc12 29589899 SFWJGPYRSHHELS-LBPRGKRZSA-N 300.789 4.224 5 40 DIBB CCC(=O)C(C[C@H](C)[N+](C)(C)C)(c1ccccc1)c1ccccc1 1587668 NMVDHOFPDMNERE-SFHVURJKSA-N 324.488 4.437 5 40 DIBB C[C@@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)[O-] 103592752 VSUIGOJNZBMHQV-ZDUSSCGKSA-N 300.427 4.252 5 40 DIBB in-vitro O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCCC3)cc2)nc1 58414777 SJUGDXPNQMOURQ-UHFFFAOYSA-N 312.373 4.114 5 40 DIBB Clc1nc2cc3nc(Cl)c(Cl)nc3cc2nc1Cl 1642476 PDSLEJHCXCSUMW-UHFFFAOYSA-N 319.966 4.187 5 40 DIBB Cc1cc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)ccc1F 408964078 BMMNVTUQZRPIPP-UHFFFAOYSA-N 314.272 4.041 5 40 DIBB CCCC[C@@H](CC)CNc1c([N+](=O)[O-])c(=O)oc2ccccc12 4184026 OBKGKSUACQQVPV-GFCCVEGCSA-N 318.373 4.330 5 40 DIBB Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 13608614 TZROKPQBRWCFCB-UHFFFAOYSA-N 318.760 4.128 5 40 DIBB O=C(O)[C@H]1CCCN1Cc1cc2ccccc2c2ccccc12 1674812 CDLKQRRSJQMKAT-LJQANCHMSA-N 305.377 4.042 5 40 DIBB in-vitro CCCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-] 1819110 HCXQWHPPVOISMV-UHFFFAOYSA-N 311.341 4.088 5 40 DIBB Cc1cc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 5815012 KBGFNLKOFWXCNQ-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(F)cc1 42389056 REUDQBFOHGBWHD-UHFFFAOYSA-N 312.094 4.289 5 40 DIBB Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)ccn1 78892744 XARJPONRYNOPDZ-UHFFFAOYSA-N 313.360 4.344 5 40 DIBB CC[N+](C)(CC)CCCCCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 1688951 HVJWECFJJYLTJD-PMACEKPBSA-N 310.570 4.300 5 40 DIBB CN1c2ccccc2CC[C@H]1CCc1ccc([N+](C)(C)C)cc1 3845704 LORUANLEMKRMSP-LJQANCHMSA-N 309.477 4.267 5 40 DIBB O=C(Nc1cc2ccncc2c2ncccc12)NC1CCCCC1 408974867 HTGNILJITHIDCQ-UHFFFAOYSA-N 320.396 4.237 5 40 DIBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C/C(=O)O)cc1 8552816 FUZVBDMKIZZNFS-RUDMXATFSA-N 315.350 4.152 5 40 DIBB CCCc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 24501246 KEZKVCDKOHOXLH-UHFFFAOYSA-N 318.760 4.453 5 40 DIBB CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 5641456 NOSAZZBVBDAHIZ-UHFFFAOYSA-N 312.369 4.036 5 40 DIBB O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc3C2)c2ncccc12 89857937 BGHHXSFDCGJIEM-HNNXBMFYSA-N 319.364 4.112 5 40 DIBB O=C(c1ccccc1)c1ccc(Oc2cccnc2)c([N+](=O)[O-])c1 7902696 FFSBREPPUQCFNP-UHFFFAOYSA-N 320.304 4.013 5 40 DIBB COc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cc1 48760038 JBXIPYWVOQTIFR-UHFFFAOYSA-N 324.130 4.158 5 40 DIBB CC(C)N(C(=O)Nc1cc2cccnc2c2cccnc12)C(C)C 6616497 UWNQLQHBKIYLNA-UHFFFAOYSA-N 322.412 4.434 5 40 DIBB O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCc3ccccc32)c1 35368193 ZOVPEFIUISQDNR-INIZCTEOSA-N 302.761 4.025 5 40 DIBB CCOC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4294141 QBTVZENXUGTGQZ-VMPITWQZSA-N 321.716 4.085 5 40 DIBB CC1CCN(C(=O)Nc2cc3ncccc3c3cccnc23)CC1 107826266 NJZAQBRDCPIIPB-UHFFFAOYSA-N 320.396 4.047 5 40 DIBB O=[N+]([O-])c1cc(Cl)c(C(F)(F)F)cc1Br 40564659 COXWQBVLBUBRPG-UHFFFAOYSA-N 304.449 4.030 5 40 DIBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1ccc([N+](=O)[O-])cc1)C2=O 6393297 QTRXRFYMTIINJJ-XPKDYRNWSA-N 305.399 4.081 5 40 DIBB COc1ccc([N+](=O)[O-])cc1OCc1ccc(C(C)(C)C)cc1 15544544 NWSJPEKXAHARHZ-UHFFFAOYSA-N 315.369 4.480 5 40 DIBB O=[N+]([O-])c1c(OC(Cl)(Cl)Cl)cccc1C(F)(F)F 95215451 NELZCYGVXRRJLM-UHFFFAOYSA-N 324.469 4.320 5 40 DIBB Cc1c([C@H](O)c2ccc3c4c(cccc24)CC3)cccc1[N+](=O)[O-] 226295671 XERHMMAGAJCKAW-FQEVSTJZSA-N 319.360 4.237 5 40 DIBB CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5420956 XOGLBFUDOWUBEC-LLVKDONJSA-N 312.797 4.194 5 40 DIBB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 5477423 AQRGSFPSHSYYTO-JLHYYAGUSA-N 324.380 4.372 5 40 DIBB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 78457784 SFWWVFWWRQUWRT-CZAWJFPGSA-N 324.380 4.048 5 40 DIBB CCc1cccc(C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 2648364 QFHOSLOIPQNIGC-CYBMUJFWSA-N 312.369 4.208 5 40 DIBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl 20011313 MECIHSPPVZNTDE-QMMMGPOBSA-N 312.156 4.470 5 40 DIBB CSc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 59204534 AMZGYMWPWWLDNF-MRXNPFEDSA-N 312.394 4.298 5 40 DIBB Cc1ccc(Nc2c([N+](=O)[O-])oc3ccc([N+](=O)[O-])cc23)cc1 4321352 FUGKSQJVNMGZDP-UHFFFAOYSA-N 313.269 4.301 5 40 DIBB O=C(NC1CCCCC1)c1cc2ccccc2c2cccnc12 36392490 XGGTXWKZOVQCQQ-UHFFFAOYSA-N 304.393 4.451 5 40 DIBB O=C(Nc1ccccc1)n1c2ccccc2c(=O)c2ccccc21 16489750 SQLIYYWGXGRQAC-UHFFFAOYSA-N 314.344 4.235 5 40 DIBB CC1(C)[C@@H]2CC[C@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 103674143 OVBAZMNMTLVARN-ZUOKHONESA-N 318.376 4.023 5 40 DIBB O=C(c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 162119 JPPGTVYDWHSNLJ-UHFFFAOYSA-N 300.313 4.177 5 40 DIBB O=[N+]([O-])c1c(N[C@@H]2CCc3ccccc32)ccc2ncccc12 95353026 BVVAASLCELPWIR-MRXNPFEDSA-N 305.337 4.242 5 40 DIBB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 5357659 OPAKTXIQZMHMNM-CMDGGOBGSA-N 319.744 4.175 5 40 DIBB O=C1CCCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c21 7848110 WEHIWKCBERPICV-UHFFFAOYSA-N 318.332 4.329 5 40 DIBB O=C(NCCC1CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl 10542455 UNUFZCHFCYWWIS-UHFFFAOYSA-N 324.808 4.339 5 40 DIBB O=[N+]([O-])c1cc(F)c(Cl)cc1OC(Cl)(Cl)Cl 95215412 LKYYIGJZFZWDTL-UHFFFAOYSA-N 308.907 4.094 5 40 DIBB Oc1ccc2c(c1)oc1c(-c3ccccc3)c3cn[nH]c3nc12 96116902 IMWUVRCBZVCBMC-UHFFFAOYSA-N 301.305 4.230 5 40 DIBB Cc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1[N+](=O)[O-] 8297576 YELBEAWEMOSATA-UHFFFAOYSA-N 312.350 4.399 5 40 DIBB O=c1oc2ccccc2cc1-c1ccc(Cl)c([N+](=O)[O-])c1 20134512 NVLXKHPAXSDJNW-UHFFFAOYSA-N 301.685 4.022 5 40 DIBB O=[N+]([O-])C[C@@H](Sc1nc2ccccc2s1)c1ccccc1 59489739 OWHHQYNFZOTLIK-CQSZACIVSA-N 316.407 4.406 5 40 DIBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])s1 12562441 HPMDHXODEJYNJQ-UTUOFQBUSA-N 311.403 4.274 5 40 DIBB CC(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 222633285 RMSFNLXNJHQMCK-UHFFFAOYSA-N 300.314 4.160 5 40 DIBB CCOc1ccc(Cl)cc1/C=C/c1onc(C)c1[N+](=O)[O-] 15009409 PMCPPZXPNNQWIL-GQCTYLIASA-N 308.721 4.114 5 40 DIBB O=C1CCCC[C@@H]1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 339733 WRXAQOILZIHGFF-LBPRGKRZSA-N 319.304 4.217 5 40 DIBB Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl 2648345 IMILVVLIKUEUCM-NSHDSACASA-N 318.760 4.299 5 40 DIBB O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)cc1C(F)(F)F 95215700 NADVBQVAYRIQAS-UHFFFAOYSA-N 324.469 4.320 5 40 DIBB O=[N+]([O-])c1cc(N(C(F)(F)F)C(F)(F)F)ccc1Cl 91252301 GKHRYRASXSTHQE-UHFFFAOYSA-N 308.565 4.094 5 40 DIBB O=Cc1cccn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 34776595 YGZDIOVGODSQJV-UHFFFAOYSA-N 324.361 4.349 5 40 DIBB O=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)c2nonc12 408604367 IJYCKSCACWTQMY-UHFFFAOYSA-N 323.333 4.435 5 40 DIBB Nc1c(Cl)cc(Nc2ccc([N+](=O)[O-])cc2F)cc1Cl 32923319 MCZSNCPZWHYNPE-UHFFFAOYSA-N 316.119 4.367 5 40 DIBB CCN(CC)c1ccc2cc3ccc(=[N+](CC)CC)cc-3oc2c1 16889886 BIOUTGSRJYRPFT-UHFFFAOYSA-N 323.460 4.196 5 40 DIBB O=[N+]([O-])c1ccc(-n2ncc3c2/C(=C/c2ccccc2)CC3)cc1 5578106 QCXMOXTYEOCUPK-NTCAYCPXSA-N 317.348 4.267 5 40 DIBB CC(C)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc2c1=O 685938614 XIZWPMLLCCWMRE-UHFFFAOYSA-N 308.337 4.227 5 40 DIBB C[N+]1(C[C@@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)CCCCC1 12660939 VOCKPMDIHQHJAT-ZRNYENFQSA-N 304.498 4.301 5 40 DIBB Cc1ccc(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1C 16903842 JYEOVEKRPPXQPD-GFCCVEGCSA-N 311.341 4.228 5 40 DIBB Cc1cc(OCc2cc(F)cc3cccnc23)ccc1[N+](=O)[O-] 31617026 KIODPFBWTQOEBH-UHFFFAOYSA-N 312.300 4.170 5 40 DIBB CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408925305 OVTJUIAEVCXOHM-NBVRZTHBSA-N 324.380 4.004 5 40 DIBB O=C(Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 206607 FJFCGARFTVBHEN-UHFFFAOYSA-N 316.312 4.165 5 40 DIBB O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])o1 5626532 YLRQIDWPACXGBN-UHFFFAOYSA-N 323.304 4.212 5 40 DIBB O=[N+]([O-])c1cc(Cl)c(F)cc1OC(Cl)(Cl)Cl 95215485 OJGSPBMEYAAVDP-UHFFFAOYSA-N 308.907 4.094 5 40 DIBB O=[N+]([O-])c1cc(Br)c(Cl)c(C(F)(F)F)c1 148632108 HGAMQOJVZFFXJW-UHFFFAOYSA-N 304.449 4.030 5 40 DIBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccccc1 72229020 YCYTXNOEGSBNTH-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB Cc1cc(C)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 5538417 RVQVRVPIRJTCGE-RMKNXTFCSA-N 310.353 4.172 5 40 DIBB Cc1cccc(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 9690400 BCISHKQTWXUPFD-CYBMUJFWSA-N 313.357 4.128 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 30866608 NPQOBCVQHLAEKC-CQSZACIVSA-N 312.369 4.011 5 40 DIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1 2888446 ZJYBCRLLXIVOPE-RMKNXTFCSA-N 317.728 4.005 5 40 DIBB O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 1310998 CEBDSLXVLVBXFC-UHFFFAOYSA-N 310.265 4.449 5 40 DIBB Cc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5233981 YDLKLWUWGLHXJV-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB O=[N+]([O-])c1cccnc1Nc1cccc(Nc2ccccc2)c1 7186594 FXLTWZWCYWZEEV-UHFFFAOYSA-N 306.325 4.477 5 40 DIBB Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 3556467 ZMVNJMOPMRGFIS-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1ccc2occ(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 19923620 HDVLXEZMZMXSFI-ZZXKWVIFSA-N 307.305 4.180 5 40 DIBB Cc1c(NC(=O)CCc2ccccc2Cl)cccc1[N+](=O)[O-] 10457629 RZFHZRSRGCOAIU-UHFFFAOYSA-N 318.760 4.128 5 40 DIBB O=c1c2cc(Br)ccc2ccc2ncc(Cl)cc12 34841855 BREDBBFHVAQHCD-UHFFFAOYSA-N 320.573 4.164 5 40 DIBB O=C(Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 262072 JOLOVOQCEFGUGN-UHFFFAOYSA-N 312.108 4.121 5 40 DIBB Cc1cc2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3193699 IAQUFGPOPUEZDA-UHFFFAOYSA-N 314.728 4.040 5 40 DIBB CCc1ccc(Nc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 5011968 SCAJVTOSQLRYIS-UHFFFAOYSA-N 301.302 4.117 5 40 DIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CCCCC2 7915790 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Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 10542758 DJGKGQPNBCLPIK-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB O=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 23411446 MUPCQOPJEWLLSO-YBEGLDIGSA-N 305.358 4.317 5 40 DIBB C[N+]1(C)Cc2cc3ccc4ccc5c(c4c3cc2C1)C[N+](C)(C)C5 3207453 QHOXCMBVFZAEHO-UHFFFAOYSA-N 318.464 4.173 5 40 DIBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1C 17145415 YJNIAXRTAVSJHJ-UHFFFAOYSA-N 310.309 4.062 5 40 DIBB C[N+]1(C[C@@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)CCCCC1 12660935 VOCKPMDIHQHJAT-WTGUMLROSA-N 304.498 4.301 5 40 DIBB biogenic O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 288730 VFTOGOQBQLKOCP-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB CCc1cccc(CC)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5477441 GKSOVDDSECEFQU-UHFFFAOYSA-N 312.369 4.280 5 40 DIBB O=[N+]([O-])c1cccc(/C=C/c2cc[n+](Cc3ccccc3)cc2)c1 3099565 VEYAYLWSYDFWBD-MDZDMXLPSA-N 317.368 4.101 5 40 DIBB O=C(c1cnc2ccc3ccccc3c2c1)c1cc(F)ccc1O 5824982 CFDILRYAZRGZSN-UHFFFAOYSA-N 317.319 4.464 5 40 DIBB CSc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 3359828 ZSBMSTGLKMJYNI-UHFFFAOYSA-N 316.382 4.186 5 40 DIBB CC(=O)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 8149292 RGJHLEGLMQIDOH-UHFFFAOYSA-N 318.760 4.105 5 40 DIBB COc1ccc(NC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 9141551 OXNCHXVQPIKVNJ-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB C[C@H]1[C@@H]2C[C@@H]3C[C@@](C)(C2)C[C@@]1(Nc1ccc([N+](=O)[O-])cn1)C3 103021228 AHZHRJVWPDLFCV-YAKIMEMVSA-N 301.390 4.007 5 40 DIBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 138596911 OCKKOAYOJJPPGI-OAHLLOKOSA-N 300.745 4.230 5 40 DIBB Cc1cc(C)c(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 82455 CQMOHHJTOKGELH-UHFFFAOYSA-N 309.325 4.237 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1Cl 579927 QFVFGAQTWWYBKF-VQHVLOKHSA-N 316.744 4.209 5 40 DIBB O=[N+]([O-])c1ccc(Oc2cccc3ccccc23)c([N+](=O)[O-])c1 1597100 BCGKQGJTZQCWJZ-UHFFFAOYSA-N 310.265 4.449 5 40 DIBB O=C(COc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 9834867 IBOVNVRJWYYGDS-UHFFFAOYSA-N 307.305 4.010 5 40 DIBB CN(C(=O)c1cccc2nc3ccccc3nc12)c1ccccc1 76494918 BKIHBIGYXFCUOY-UHFFFAOYSA-N 313.360 4.060 5 40 DIBB O=C(O)c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12 6753700 PPJFULHJLQCYPQ-VMPITWQZSA-N 320.304 4.012 5 40 DIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1C 217866915 MMXRBVFXLNJTEX-KRWDZBQOSA-N 312.369 4.093 5 40 DIBB C[N+]1(C)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 521247 OSVNJCMNBHWFAD-UHFFFAOYSA-N 324.469 4.159 5 40 DIBB COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 226249731 ACUZKEYFSAIAPV-VMPITWQZSA-N 310.309 4.223 5 40 DIBB c1ccc2nc3c(nc2c1)c1ccccc1n3Cc1ccncc1 9423447 BTTBCPUZUSYWGY-UHFFFAOYSA-N 310.360 4.181 5 40 DIBB Cc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 4420145 RJLXMDDYIUAAFD-UHFFFAOYSA-N 324.296 4.103 5 40 DIBB C[C@H]1C[C@@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 226316674 GXDRCMWPIHRMED-DTORHVGOSA-N 303.189 4.384 5 40 DIBB O=C(Oc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 123928 KBJZDEITSFDUML-UHFFFAOYSA-N 312.108 4.121 5 40 DIBB O=Cc1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 5777264 OZYFWVQUVIMJGU-UHFFFAOYSA-N 307.305 4.140 5 40 DIBB Cc1ccc2sc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)nc2c1 36834367 BZLKGDNFUBXVPM-QPJJXVBHSA-N 312.350 4.389 5 40 DIBB O=c1oc2ccc3ccccc3c2cc1-c1cn2ccsc2n1 497591 OTFIBBSPZPBMHB-UHFFFAOYSA-N 318.357 4.322 5 40 DIBB Cc1ccc([C@@H](O)c2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 226295678 MWNCWXHSRYMTKS-HXUWFJFHSA-N 319.360 4.237 5 40 DIBB CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4294142 GFZQTVOPIFILOO-VMPITWQZSA-N 321.716 4.085 5 40 DIBB Cc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4726939 DLFBAMLAMJKMDK-UHFFFAOYSA-N 307.693 4.208 5 40 DIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 5428172 BLKPJGYOCAITEI-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)c2cccnc12 59488896 LMOILAYFFVCQGE-UHFFFAOYSA-N 322.349 4.171 5 40 DIBB Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1[N+](=O)[O-] 2512715 JGBHZEZKAUNLGK-UHFFFAOYSA-N 324.380 4.354 5 40 DIBB CCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 3300935 QZEFWAKOZMPJIC-UHFFFAOYSA-N 323.348 4.015 5 40 DIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCCC1 95350282 LZVJQRUETHNZOS-UHFFFAOYSA-N 311.769 4.093 5 40 DIBB Cc1ccc(C)c(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1 145265800 JTRDMFYHQYLGQR-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1[N+](=O)[O-] 32754282 RAEXYHFASRKOKP-LBPRGKRZSA-N 324.336 4.174 5 40 DIBB COc1ccc(Cl)cc1-c1nc2cc([N+](=O)[O-])ccc2o1 216732085 QZECRAMXJWSWME-UHFFFAOYSA-N 304.689 4.065 5 40 DIBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1O 6831936 KXRMCDKXXYDLKG-VMPITWQZSA-N 322.320 4.028 5 40 DIBB CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 30870963 SJBORFPVBQKCNU-OAHLLOKOSA-N 318.760 4.129 5 40 DIBB COc1ccccc1-c1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12 96316104 QVXQXMLZZAWVQQ-UHFFFAOYSA-N 319.320 4.300 5 40 DIBB CC(C)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 12821774 JKMPXXUSUWRYGQ-MRXNPFEDSA-N 312.369 4.112 5 40 DIBB Cc1cc(Oc2ccc(Br)cc2)ccc1[N+](=O)[O-] 35277229 DGFSWQMFHBGNKQ-UHFFFAOYSA-N 308.131 4.458 5 40 DIBB CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C)c1 95634834 KEJZGCJLCDEVDK-UHFFFAOYSA-N 318.760 4.223 5 40 DIBB O=C(Nc1ccccc1Cl)c1coc2ccc([N+](=O)[O-])cc12 137764291 GWVVZQXOKQHBEL-UHFFFAOYSA-N 316.700 4.247 5 40 DIBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 4410645 CMQOLFJPDAGLHH-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB COc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1 5195872 QVUVNVVYUNMVLA-UHFFFAOYSA-N 309.321 4.336 5 40 DIBB CSc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 12688501 UWFMSSQYTSSMMY-ZETCQYMHSA-N 313.429 4.022 5 40 DIBB O=c1oc2ccc3ccccc3c2cc1-c1cc2ccccn2n1 500600 CRIUSQRHEPAXDK-UHFFFAOYSA-N 312.328 4.261 5 40 DIBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)c(Cl)c1 5899894 VKWKGUSLBLVXQH-UHFFFAOYSA-N 307.762 4.057 5 40 DIBB Cc1c(C(=O)Nc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] 15302050 JKSSHCSFSHNUMD-UHFFFAOYSA-N 312.369 4.453 5 40 DIBB CC(=O)Nc1cccc(/C=C\C=C/c2ccc([N+](=O)[O-])cc2)c1 16981944 BIRWVTCLAPDPLN-SXUARNTMSA-N 308.337 4.280 5 40 DIBB CCc1ccc([C@H]2C[C@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 83825407 WENGAHUEUSCZLE-IUODEOHRSA-N 315.373 4.123 5 40 DIBB O=[N+]([O-])c1cccc([C@H](O)c2ccc3c(c2)Cc2ccccc2-3)c1 226297058 RZMDURJRFYEANI-FQEVSTJZSA-N 317.344 4.248 5 40 DIBB Cc1cc(C)c(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 4405506 XZQLGCIXQURLJT-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CCc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 4614939 SXCDFIWWBLFKQF-UHFFFAOYSA-N 320.776 4.302 5 40 DIBB CC(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 17742600 YDIHWUAFVWTCSL-AWEZNQCLSA-N 319.386 4.175 5 40 DIBB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1 246168 XQYWLTVOGZIUBN-UHFFFAOYSA-N 318.332 4.099 5 40 DIBB CC(C)c1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 5158520 LURQPROMVJIBBE-UHFFFAOYSA-N 300.314 4.160 5 40 DIBB Nc1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 164835 RWSBANZPGBSQRS-UHFFFAOYSA-N 314.288 4.347 5 40 DIBB C[N+]1(C)Cc2cc3ccc4cc5c(cc4c3cc2C1)C[N+](C)(C)C5 2267869 SYJFNHYJZCXNSL-UHFFFAOYSA-N 318.464 4.173 5 40 DIBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1 6061396 ORZSTULFQRXYMY-LBPRGKRZSA-N 324.336 4.035 5 40 DIBB O=C(Nc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 513725 UUKUZFHZFOHOSZ-UHFFFAOYSA-N 308.293 4.107 5 40 DIBB CNc1ccc(/C=C/c2nc3ccccc3s2)cc1[N+](=O)[O-] 5931316 APMVVATVSCBXPT-VQHVLOKHSA-N 311.366 4.417 5 40 DIBB O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1Cl 20134521 HRKRWVISOVDGHS-UHFFFAOYSA-N 301.685 4.022 5 40 DIBB O=[N+]([O-])c1c(N[C@H]2CCc3ccccc32)ccc2ncccc12 95353025 BVVAASLCELPWIR-INIZCTEOSA-N 305.337 4.242 5 40 DIBB CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 2736420 CHPSCHRIXMCMOF-UHFFFAOYSA-N 312.369 4.498 5 40 DIBB OC1Cn2c3ccccc3c3ccc4c5ccccc5n(c4c32)C1 6733630 VMJLKCKNBAFPNR-UHFFFAOYSA-N 312.372 4.277 5 40 DIBB CC1(C)c2ccccc2N2Cc3cc([N+](=O)[O-])ccc3O[C@]21C 492370 GXAOQHFIZZYRSH-SFHVURJKSA-N 310.353 4.001 5 40 DIBB Cc1nc(Sc2nc3ccc([N+](=O)[O-])cc3s2)sc1C 1604740 YRFSZCNINKEDKL-UHFFFAOYSA-N 323.424 4.429 5 40 DIBB Cc1ccc(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 54124092 GZDHKCXHZHVSBL-UHFFFAOYSA-N 324.380 4.003 5 40 DIBB CC(C)(C)C1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 1719557 NIGSOOBOIJTAMD-UHFFFAOYSA-N 305.374 4.357 5 40 DIBB CSc1ccc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 32906301 ASEXLNKERFUFKD-UHFFFAOYSA-N 316.382 4.186 5 40 DIBB COc1cc(Cl)cc2c(Cl)c([N+](=O)[O-])c(Cl)nc12 95098216 FKBLLWJWNVRBGB-UHFFFAOYSA-N 307.520 4.112 5 40 DIBB CCC(=O)Nc1cc(Oc2cccc(C)c2)cc([N+](=O)[O-])c1 255385 LTDJRAGJAIMMAV-UHFFFAOYSA-N 300.314 4.044 5 40 DIBB Cc1cc(-c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-] 40169736 YRRKMZOGGQWLCD-UHFFFAOYSA-N 314.732 4.009 5 40 DIBB CC(C)(C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 27643643 HMVDYGVSHFOIIF-UHFFFAOYSA-N 318.760 4.165 5 40 DIBB Cc1ccc(-c2nc(Cl)c3ccsc3n2)cc1[N+](=O)[O-] 4205037 VFZCVGPCRWMZHC-UHFFFAOYSA-N 305.746 4.228 5 40 DIBB O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1 91908 SSWIRWXDAZDCQU-UHFFFAOYSA-N 322.320 4.361 5 40 DIBB O=[N+]([O-])c1c(Oc2ccc(Cl)cc2)ccc2nsnc12 225538 DHXGOOQTCQFYBM-UHFFFAOYSA-N 307.718 4.045 5 40 DIBB COc1cccc(Oc2ccc(Br)cc2[N+](=O)[O-])c1 48760026 FPYPYMHZJZQHOV-UHFFFAOYSA-N 324.130 4.158 5 40 DIBB Cc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 505707 KOIGWMDWFHOODF-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])s1 5603683 HPMDHXODEJYNJQ-GRYCIOLGSA-N 311.403 4.274 5 40 DIBB CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 6053883 SYLCMCVDMGPXIY-CYBMUJFWSA-N 312.369 4.209 5 40 DIBB Cc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4240986 OMOBIWIUFYEAQT-UHFFFAOYSA-N 311.366 4.139 5 40 DIBB C[C@@]12CC3CC(NCc4ccc([N+](=O)[O-])cc4)(C1)C[C@](C)(C3)C2 8534532 NBTLBHQTQYJUCA-AFGAAMFOSA-N 314.429 4.433 5 40 DIBB CC(C)Sc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 10253299 FMYAXOGFZLJEFY-UHFFFAOYSA-N 316.382 4.348 5 40 DIBB O=c1oc2ccc(Cl)cc2cc1-c1ccc([N+](=O)[O-])cc1 70520 UYEPIMIMXKQTJZ-UHFFFAOYSA-N 301.685 4.022 5 40 DIBB Cc1cc(Nc2ccc([N+](=O)[O-])cc2)ccc1Br 7278202 IEBBUZLIDLQDOE-UHFFFAOYSA-N 307.147 4.409 5 40 DIBB Cc1ccc(-c2nc(COc3ccccc3[N+](=O)[O-])co2)cc1 25336015 QYNHGSAHPMERCR-UHFFFAOYSA-N 310.309 4.137 5 40 DIBB CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(F)cc1 480488 MHRPGMRZCPKRHE-UHFFFAOYSA-N 309.366 4.054 5 40 DIBB CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 8750075 LXRPTWNYSLZIPE-MRXNPFEDSA-N 313.357 4.114 5 40 DIBB O=[N+]([O-])c1cc(Cl)c(Oc2ccnc(Cl)c2)cc1F 98175296 OJZDPULGDINJTJ-UHFFFAOYSA-N 303.076 4.228 5 40 DIBB O=c1oc2ccccc2cc1-c1ccc(Cl)cc1[N+](=O)[O-] 216937310 GGLPIKWWVGIZOP-UHFFFAOYSA-N 301.685 4.022 5 40 DIBB CC(C)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3561206 FXOLTQJBWSUSFA-FMIVXFBMSA-N 310.353 4.370 5 40 DIBB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)Cc1ccccc1)C2 2281344 NKTJJBPQZBFCRF-IRFCIJBXSA-N 316.509 4.494 5 40 DIBB Cc1ccc(OCc2cc(F)cc3cccnc23)c([N+](=O)[O-])c1 31617237 TZDFALXKVUVPFJ-UHFFFAOYSA-N 312.300 4.170 5 40 DIBB Cc1ccc(C)c(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 41146142 SJZONIUZJIVMEI-LBPRGKRZSA-N 311.341 4.228 5 40 DIBB CCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 20493850 NHEXREXNBWGQMG-UHFFFAOYSA-N 316.382 4.268 5 40 DIBB CC[C@]1(C)c2c(cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])C(C)(C)[C@@H]1C 1747525 NRAOOQZZUHKVMH-QFYYESIMSA-N 306.362 4.406 5 40 DIBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 16468246 AZIJONYTIQSIHW-SNVBAGLBSA-N 305.717 4.166 5 40 DIBB O=[N+]([O-])c1cccc(CN(Cc2ccco2)C2CCCC2)c1 52077160 ZQEQQDPIXYQLNP-UHFFFAOYSA-N 300.358 4.133 5 40 DIBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ccccc21 189293 DQKAEQRLMQPXCT-UHFFFAOYSA-N 324.361 4.012 5 40 DIBB CCN(CC)C(=O)Oc1cc(C)c([N+](C)(C)C)cc1C(C)C 1718634 KPVVFINVOFLLEP-UHFFFAOYSA-N 307.458 4.156 5 40 DIBB O=[N+]([O-])c1ccc(CCCCc2ccc([N+](=O)[O-])cc2)cc1 1556076 FBDUIKREOYVSJZ-UHFFFAOYSA-N 300.314 4.068 5 40 DIBB CCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] 20897613 RTAFXSJSSXEMSY-UHFFFAOYSA-N 324.340 4.052 5 40 DIBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nnco2)cc1 3449589 HYINIAWTWAENKH-UHFFFAOYSA-N 317.688 4.091 5 40 DIBB COc1cc(-c2cc(=O)c3ccc4ccccc4c3o2)ccc1O 41181954 SDZZBZZDPFZNDX-UHFFFAOYSA-N 318.328 4.327 5 40 DIBB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1ccc([N+](=O)[O-])cc1)C2=O 6393470 QTRXRFYMTIINJJ-JGGQBBKZSA-N 305.399 4.081 5 40 DIBB CCCCCCNc1c([N+](=O)[O-])c(=O)sc2ccccc12 100183181 ZRYVPODKLMYDGV-UHFFFAOYSA-N 306.387 4.162 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CCCC2 225628387 NJSSAYKXZSSGKO-UHFFFAOYSA-N 310.353 4.034 5 40 DIBB O=C(Nc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 6925979 WBJKQOHWDFOEEM-UHFFFAOYSA-N 309.684 4.031 5 40 DIBB Cc1noc(C)c1CSc1ccc([N+](=O)[O-])c2cccnc12 24769928 YOGZZLLOJLCVEJ-UHFFFAOYSA-N 315.354 4.040 5 40 DIBB C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](c2ccco2)C1 84697732 PGAVGOWJMCKRTC-GWCFXTLKSA-N 321.764 4.214 5 40 DIBB O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 16428450 HCFMBNZEMGKVOM-UHFFFAOYSA-N 309.684 4.031 5 40 DIBB O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 48051120 CAUSITHNFSSYFB-UHFFFAOYSA-N 321.336 4.070 5 40 DIBB Cc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1Cl 72228645 LLAAXQJZBRMPJY-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccc3ccccc3c21 276273 VNMWWCHCIOIAND-QGZVFWFLSA-N 318.332 4.488 5 40 DIBB Cc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@@H]1C 45886355 SGUVWROBPVASAR-JTQLQIEISA-N 313.195 4.045 5 40 DIBB O=C(Nc1cc2ncccc2c2cccnc12)N1CCCCCC1 408977108 UERJECSGYNFWMO-UHFFFAOYSA-N 320.396 4.191 5 40 DIBB CCOc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1 408606640 JLJDFQJAJNXZDD-UHFFFAOYSA-N 306.749 4.259 5 40 DIBB CC(C)(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1 1646055 UQSFEHLMJORMQA-UHFFFAOYSA-N 324.336 4.061 5 40 DIBB CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)o1 95409769 UMKZXDQUECSXDF-OAHLLOKOSA-N 303.362 4.345 5 40 DIBB O=[N+]([O-])c1cccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)c1 226297049 RZMDURJRFYEANI-HXUWFJFHSA-N 317.344 4.248 5 40 DIBB CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 513681 TXRLWURSIACHOK-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 3149188 MECAQYZSUOTYTD-UHFFFAOYSA-N 313.353 4.420 5 40 DIBB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3554136 NPIDLQHWTAIWOO-JXMROGBWSA-N 316.744 4.209 5 40 DIBB O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c2ccncc12 6542232 FPXQZMZBBQAANJ-UHFFFAOYSA-N 317.304 4.484 5 40 DIBB CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4695561 KAQFNFCRBUJPIF-UHFFFAOYSA-N 314.341 4.026 5 40 DIBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 8053694 XHDKBJIVQUQZOR-SECBINFHSA-N 311.263 4.182 5 40 DIBB CN(C)C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 408992342 AIWIITIBMIRNBJ-UHFFFAOYSA-N 322.393 4.091 5 40 DIBB CCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] 27317456 XURZUYOQUVLSNC-UHFFFAOYSA-N 322.723 4.202 5 40 DIBB COc1ccc(CN2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] 51230666 PGEUHPPVDCQUAA-ZDUSSCGKSA-N 318.398 4.002 5 40 DIBB O=[N+]([O-])c1ccc(N2CCc3ccccc32)c(Br)c1 252481412 CKQPQMXLLBYIKG-UHFFFAOYSA-N 319.158 4.052 5 40 DIBB COc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])cc1 38982733 CBPHEEDMWCDONB-UHFFFAOYSA-N 308.131 4.033 5 40 DIBB O=[N+]([O-])c1ccc(N(C2CCCCC2)C2CCCCC2)nc1 408582403 NUUWXWJYLBGMMH-UHFFFAOYSA-N 303.406 4.462 5 40 DIBB O=[N+]([O-])c1cccc(Cl)c1N1CCC(Cl)(Cl)CC1 1772714977 LSVHGDRPCSTYPH-UHFFFAOYSA-N 309.580 4.022 5 40 DIBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])o1 8328475 DRLBRCLUSHJWML-UHFFFAOYSA-N 324.292 4.232 5 40 DIBB Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1 17139083 WYLAKENCXDLFIA-UHFFFAOYSA-N 306.325 4.104 5 40 DIBB Cc1noc(-c2ccc(N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 8587111 CDEQFYSMVPLUJL-NSHDSACASA-N 324.340 4.126 5 40 DIBB O=c1c2ccc(Cl)c3cccc(c32)c2nc3ccccc3n12 354942 CAEWXTPVEDSGND-UHFFFAOYSA-N 304.736 4.245 5 40 DIBB Cc1cccc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)c1 40169670 BKMJSFLZARWXAY-UHFFFAOYSA-N 314.732 4.009 5 40 DIBB O=[N+]([O-])c1c(SCc2ccccc2)cc(Cl)c2nonc12 5477537 IXDDPMJXMCYUBG-UHFFFAOYSA-N 321.745 4.077 5 40 DIBB O=[N+]([O-])C1=C2C3=CC=CC4=CC=C[C@H]([C@@H]43)[C@H]3C=CC=C(C=C1)[C@H]23 263584188 LSJTYSQNDCBQTB-SFUIVIKGSA-N 301.345 4.054 5 40 DIBB CC(C)(C[N+](C)(C)C)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 106588561 YENWMUFPFCZVBN-UJWQCDCRSA-N 306.514 4.259 5 40 DIBB biogenic Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 222837609 PDXMCGSKMMOZQD-UHFFFAOYSA-N 312.369 4.091 5 40 DIBB Cc1cc([N+](=O)[O-])cc(Br)c1N(C(C)C)C(C)C 226755714 ZPCBQPCTMQEGEU-UHFFFAOYSA-N 315.211 4.289 5 40 DIBB O=C1c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800355 USELZCOGXDLZGU-ZDUSSCGKSA-N 301.729 4.161 5 40 DIBB Cn1c2c(S)[n+]3c(ccc4ccccc43)c-2cc2ccccc21 13286044 FJMLFMGJUIXCGZ-UHFFFAOYSA-O 315.421 4.464 5 40 DIBB COC(=O)[C@H]1CCCN1Cc1cc2ccccc2c2ccccc12 2022309 AGDCNSCUNZTZLX-HXUWFJFHSA-N 319.404 4.130 5 40 DIBB O=[N+]([O-])c1cccc(-c2nn3cc(-c4ccccc4)nc3s2)c1 5532273 KLFHBYHZJBJNMY-UHFFFAOYSA-N 322.349 4.033 5 40 DIBB O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCCCC1 4137912 HHUKIVSRDBWMNB-UHFFFAOYSA-N 321.396 4.105 5 40 DIBB COc1ccc(NC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 4696449 DIEPZZJSFZAVMX-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1 12459991 JGZCDXSPEBKYJY-UHFFFAOYSA-N 318.760 4.128 5 40 DIBB CC(C)Nc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 12567802 HBYRLEZYAAEVJS-VIFPVBQESA-N 324.431 4.120 5 40 DIBB O=[N+]([O-])c1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1 36627530 PXYPXTOUOYAWOU-UHFFFAOYSA-N 313.338 4.168 5 40 DIBB in-vivo CCN(Cc1ccc(Cl)s1)Cc1ccccc1[N+](=O)[O-] 48345355 WJHATDUNTSUYCK-UHFFFAOYSA-N 310.806 4.332 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1Cl 153093 AOHZBBZRAQFRKP-UHFFFAOYSA-N 318.638 4.454 5 40 DIBB COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 14258187 WAZUMAWMBCGLMW-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB COC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 40541580 JURMMIBGZXVSDK-GQCTYLIASA-N 321.716 4.003 5 40 DIBB CC(C)(C)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 3514771 VNNGTTCYZYHGNR-UHFFFAOYSA-N 313.353 4.249 5 40 DIBB O=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)nc1 32207040 KWLCJNJJOHMIAU-UHFFFAOYSA-N 306.321 4.158 5 40 DIBB O=[N+]([O-])c1c(NCC2(c3ccccc3)CC2)ccc2ncccc12 58406477 HTOQBZSZMQFRMH-UHFFFAOYSA-N 319.364 4.287 5 40 DIBB CCc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 138615048 MWDNZCQYNPFKQM-UHFFFAOYSA-N 310.309 4.156 5 40 DIBB O=[N+]([O-])c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 5728869 WFQOPMLEUUMIPM-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c(Cl)c1 5937543 NUFHVUNPFJFJLS-UHFFFAOYSA-N 315.760 4.384 5 40 DIBB CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 6285110 RUTLXMUCIZHHLY-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB CC(C)CN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl 118381 YPGGQCPCKCWIAJ-UHFFFAOYSA-N 312.797 4.002 5 40 DIBB O=CNc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2 1569594 GJFZJSMAFTXMPI-UHFFFAOYSA-N 323.135 4.041 5 40 DIBB COc1cc2nc3c4ccccc4n(C(C)C)c3nc2cc1OC 5014073 OXLYCLKJUYFXKO-UHFFFAOYSA-N 321.380 4.336 5 40 DIBB CCN1c2ccc([N+](=O)[O-])cc2N(CC)[C@]1(C)c1ccccc1 58502127 SRJXNMVCTPQMLX-GOSISDBHSA-N 311.385 4.134 5 40 DIBB O=[N+]([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1 89787893 DIHIVQDGYOFNGG-UHFFFAOYSA-N 316.788 4.417 5 40 DIBB CC(=O)Nc1ccc(/C=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 1701282 YESPFJRWKIDADA-BUSIMMOISA-N 308.337 4.280 5 40 DIBB O=[N+]([O-])C1=C2C3=CC=CC4=CC=C[C@H]([C@@H]43)[C@H]3C=CC=C(C=C1)[C@@H]23 263584186 LSJTYSQNDCBQTB-OSGQAZFXSA-N 301.345 4.054 5 40 DIBB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 3850355 UNTITFREQMUTGH-UHFFFAOYSA-N 309.243 4.039 5 40 DIBB biogenic Cc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 12979894 LSUYOTUYWWUWAZ-LBPRGKRZSA-N 324.336 4.140 5 40 DIBB O=C(O[C@H]1CCC/C=C\CCCC1)c1ccc([N+](=O)[O-])cc1 4990598 AOXGZHUREMOWOR-AIMAZDRCSA-N 303.358 4.421 5 40 DIBB O=[N+]([O-])c1ccc2[nH]c(/C(Cl)=C/c3cccs3)nc2c1 7132963 NKCGWTUQOXUDBF-YFHOEESVSA-N 305.746 4.270 5 40 DIBB C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[N+](=O)[O-] 227149541 JWQVHRKHBGXWRC-SOFGYWHQSA-N 308.677 4.146 5 40 DIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 14602621 FSIWIYCPWJXNRH-INIZCTEOSA-N 312.369 4.093 5 40 DIBB COc1cc2c(Cl)c([N+](=O)[O-])c(Cl)nc2cc1Cl 95098241 DQHXWSUCKDCSJL-UHFFFAOYSA-N 307.520 4.112 5 40 DIBB Cc1nnc(-c2ccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 97232151 SBYMOPAZZFIUOD-NSHDSACASA-N 324.340 4.126 5 40 DIBB CCNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 226303110 SKLQCMWUVFFLPC-UHFFFAOYSA-N 300.402 4.494 5 40 DIBB C[C@@](C#N)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 116084 RFQPADMFVLHYSN-OAHLLOKOSA-N 320.270 4.443 5 40 DIBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 25371083 OCCGWMVPBTWDRO-QMMMGPOBSA-N 312.156 4.470 5 40 DIBB O=C(O)[C@@H]1CCCN1Cc1cc2ccccc2c2ccccc12 4946096 CDLKQRRSJQMKAT-IBGZPJMESA-N 305.377 4.042 5 40 DIBB in-vitro O=C1c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 169800410 NHJIAKNDSAXWJU-LLVKDONJSA-N 319.719 4.300 5 40 DIBB O=[N+]([O-])c1cc(Cl)c(NC2CCCC2)c(Br)c1 226317086 ZKWFXYHHSXDUHP-UHFFFAOYSA-N 319.586 4.365 5 40 DIBB Cc1ccc(N2COc3ccc4ccccc4c3C2)cc1[N+](=O)[O-] 553534 ARCNNAKJQAXPPF-UHFFFAOYSA-N 320.348 4.413 5 40 DIBB Cc1c(NC(=S)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 13785695 BXVSKMWUOLGCKA-UHFFFAOYSA-N 321.789 4.366 5 40 DIBB CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl 408555606 GMPRIGPHIQPOGP-UHFFFAOYSA-N 306.749 4.259 5 40 DIBB O=C(NC1CCCCCCC1)c1ccc([N+](=O)[O-])cc1Cl 3093822 MPFIZSSYYARWRE-UHFFFAOYSA-N 310.781 4.091 5 40 DIBB C[C@H](OC(=S)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 5739085 UDGRWCAZNFIMRD-NSHDSACASA-N 302.355 4.069 5 40 DIBB O=C(Nc1ccc2sccc2c1)c1ccc([N+](=O)[O-])s1 4134732 RMUOAORVRGMJPH-UHFFFAOYSA-N 304.352 4.123 5 40 DIBB CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408553714 AYIIKGSRPSILNR-UHFFFAOYSA-N 316.357 4.004 5 40 DIBB COc1ccc2ccccc2c1/C=C\c1onc(C)c1[N+](=O)[O-] 408544431 TUWDQVFSQNWFEL-NTMALXAHSA-N 310.309 4.223 5 40 DIBB CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 37976838 AQRQVKAIEIXLDJ-UHFFFAOYSA-N 312.797 4.193 5 40 DIBB O=C(CCc1cccc2ccccc12)Nc1cccc([N+](=O)[O-])c1 222665013 XNTDSNUSVCNKKT-UHFFFAOYSA-N 320.348 4.319 5 40 DIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1csc2c1CCCC2 5487823 DWIWIBBEKJGRFI-UHFFFAOYSA-N 316.382 4.096 5 40 DIBB O=C(c1ccccc1)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 6831931 AVTWYESWYYYISH-UHFFFAOYSA-N 310.353 4.180 5 40 DIBB Cc1nc2c(ccc3ccccc32)c(O)c1CN1CCCCC1 8700856 PNKVJIYSCZMZRE-UHFFFAOYSA-N 306.409 4.388 5 40 DIBB CC(C)N(C(=O)Nc1cc2ncccc2c2cccnc12)C(C)C 408978036 XTPDRQOIMKYHMS-UHFFFAOYSA-N 322.412 4.434 5 40 DIBB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 3566664 ZFSKVUOYNJTPFG-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB Cc1cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Cl 4887333 AYLDAIMLPJPPAN-UHFFFAOYSA-N 308.677 4.257 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2ccccc21 2447463 REPAGZYYZGBUNC-UHFFFAOYSA-N 316.316 4.391 5 40 DIBB O=C(CSc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 19928696 NDDNQKVUKGXIDA-UHFFFAOYSA-N 307.758 4.223 5 40 DIBB Cc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 223393800 UGBNRKPNAYBSBL-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB C[N+]1(C[C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)CCCCC1 4029914 VOCKPMDIHQHJAT-MUGJNUQGSA-N 304.498 4.301 5 40 DIBB C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1Cl 12557719 CDOSZFAMHANIIQ-VIFPVBQESA-N 308.790 4.433 5 40 DIBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c(C)c1 17162834 PTMPTDUTDHKZBQ-UHFFFAOYSA-N 310.309 4.062 5 40 DIBB Cc1ccccc1-c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1 22120125 TZTMBPWBPRIVAN-UHFFFAOYSA-N 315.716 4.274 5 40 DIBB O=C(O)/C=C\c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 33381294 QIFPTCPXTUSAHG-CLFYSBASSA-N 307.371 4.117 5 40 DIBB C[C@@H]1CC(=O)c2c(Oc3ccc([N+](=O)[O-])cn3)ccc(Cl)c21 32825070 SNRNAJAZCJNWCI-MRVPVSSYSA-N 318.716 4.125 5 40 DIBB O=C(Nc1ccc(SC(F)F)cc1)c1cccc([N+](=O)[O-])c1 2685654 MJVFPDJTLMYOPV-UHFFFAOYSA-N 324.308 4.162 5 40 DIBB Cc1csc(Sc2ccc([N+](=O)[O-])c3cnccc23)n1 22802770 BPKRAXKDNJDVRY-UHFFFAOYSA-N 303.368 4.059 5 40 DIBB O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccc(O)cc3c12 77291767 UBSNONGPZJJCAD-UHFFFAOYSA-N 300.317 4.474 5 40 DIBB in-vitro Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 19160582 MWVNSIAUXRLDHJ-UHFFFAOYSA-N 324.258 4.174 5 40 DIBB Cc1cc(OCc2ccc(F)c3cccnc23)ccc1[N+](=O)[O-] 32327947 ZBWFWXDQRZTXEO-UHFFFAOYSA-N 312.300 4.170 5 40 DIBB O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1O 36382112 RMQDKZZDTHCVOU-UHFFFAOYSA-N 318.638 4.035 5 40 DIBB Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)c3cccnc23)c1 24570076 GCEMTLOEPZYSDW-UHFFFAOYSA-N 312.300 4.170 5 40 DIBB O=[N+]([O-])c1cccc(/C=C/c2nc(=S)c3ccccc3[nH]2)c1 4387674 YLSCPNXVHDPCAZ-CMDGGOBGSA-N 309.350 4.371 5 40 DIBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(Cl)cc3)nc2c1 5728895 FFWGRFWQXDTTIQ-UHFFFAOYSA-N 319.773 4.417 5 40 DIBB O=C(c1ccco1)N(c1ccccc1[N+](=O)[O-])C1CCCCC1 59488880 YLGFDXPOOIEMPB-UHFFFAOYSA-N 314.341 4.167 5 40 DIBB Cc1noc(-c2ccc(N[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 8587112 CDEQFYSMVPLUJL-LLVKDONJSA-N 324.340 4.126 5 40 DIBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1ccc([N+](=O)[O-])cc1)C2=O 100928511 QTRXRFYMTIINJJ-BJJXKVORSA-N 305.399 4.081 5 40 DIBB Cc1ccc(-c2cc3c(c(N)n2)c(=N)oc2ccccc23)cc1 408822786 WFKSRCIEFITFNI-UHFFFAOYSA-N 301.349 4.018 5 40 DIBB C[C@H](OC(=O)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 48314631 CTKTWVOUEZBZJT-LBPRGKRZSA-N 324.336 4.005 5 40 DIBB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 6189933 OVJHJZHIZKYLGR-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB Cc1ccc2ccccc2c1[C@@H](O)c1cccc([N+](=O)[O-])c1C 226294258 GMGWUKMWHQUARI-IBGZPJMESA-N 307.349 4.447 5 40 DIBB CC(=O)Cn1c2ccc(C)cc2c2nc3cc(C)c(C)cc3nc21 9423882 VJYGOQDSFJJKPF-UHFFFAOYSA-N 317.392 4.252 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(Cl)(Cl)Cl 95215761 YXHMQBKNKMRXCF-UHFFFAOYSA-N 324.469 4.320 5 40 DIBB O=[N+]([O-])/C=C\c1ccc(OCc2c(F)cccc2Cl)cc1 145869494 VCDWQNVJDURUKZ-HJWRWDBZSA-N 307.708 4.306 5 40 DIBB Cc1cccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cn2)c1 75110957 TXQUYLUZPXTMBO-UHFFFAOYSA-N 323.352 4.098 5 40 DIBB C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnccn1 187647857 FPTBNXHBUMSCDG-YRNVUSSQSA-N 324.365 4.069 5 40 DIBB O=[N+]([O-])c1ccc(CSc2ccc3c(c2)OCCCO3)cc1 6436883 PMVTWNFXMPTETH-UHFFFAOYSA-N 317.366 4.048 5 40 DIBB C[N+]1(C[C@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)CCCCC1 12660937 VOCKPMDIHQHJAT-UAFMIMERSA-N 304.498 4.301 5 40 DIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F 2648187 ZURQVSSIYQAWCE-QPJJXVBHSA-N 320.707 4.039 5 40 DIBB CC(C)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 2648348 YBKPUNPMLVSAIL-CYBMUJFWSA-N 312.369 4.460 5 40 DIBB CCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1843202 DECMETFNDVMVQQ-UHFFFAOYSA-N 302.355 4.095 5 40 DIBB Cc1nn(Cc2ccc(-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 8328201 HBJGHQHDWTYVCV-UHFFFAOYSA-N 307.353 4.123 5 40 DIBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc2ccccc2nc1C 58341955 OVJLLFKPEZAQBO-UHFFFAOYSA-N 323.352 4.042 5 40 DIBB CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408611483 SJQWXVJQQSZKEC-UHFFFAOYSA-N 306.749 4.259 5 40 DIBB CCN1c2ccc([N+](=O)[O-])cc2N(CC)[C@@]1(C)c1ccccc1 4793148 SRJXNMVCTPQMLX-SFHVURJKSA-N 311.385 4.134 5 40 DIBB COc1ccc([C@@H](O)c2c(C)ccc3ccccc23)cc1[N+](=O)[O-] 226294374 LZIKWNQEOLHESJ-LJQANCHMSA-N 323.348 4.147 5 40 DIBB Cc1cc(C(=O)Oc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 68126 KRBUGZCJOKKRBW-UHFFFAOYSA-N 307.305 4.276 5 40 DIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2ccccc2c1 4070517 TYLQUYFQIWKRFY-UHFFFAOYSA-N 322.320 4.009 5 40 DIBB O=C(Nc1ccc(F)cc1)c1cccc2nc3ccccc3nc12 9910282 FYMRJTLMPKOCJV-UHFFFAOYSA-N 317.323 4.174 5 40 DIBB Cc1cc(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 225991739 VTHYSBSJEPVQIN-UHFFFAOYSA-N 324.380 4.190 5 40 DIBB C[C@@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 231973 WEAVKHATGKOQBH-ZDUSSCGKSA-N 310.353 4.040 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1382876 LZWKQUDNLNFCRK-HUUCEWRRSA-N 301.729 4.235 5 40 DIBB CCCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 45125312 MVNLCVOEBMHQHH-KBPBESRZSA-N 321.421 4.266 5 40 DIBB C[C@@]12CC3CC(Nc4ncccc4[N+](=O)[O-])(C1)C[C@@](C)(C3)C2 100197603 NLKCUSCVSLWXRW-KDFVVIITSA-N 301.390 4.151 5 40 DIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1ccc(F)cc1 6796548 WNVZYOIIRJTCAE-UHFFFAOYSA-N 323.711 4.340 5 40 DIBB O=[N+]([O-])c1cccc(CSc2ccc(Cl)cc2[N+](=O)[O-])c1 6549589 IGSRFJCBTIXOIN-UHFFFAOYSA-N 324.745 4.449 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1 11162965 YZQUOMQVKTUYPR-UHFFFAOYSA-N 301.685 4.225 5 40 DIBB O=C(c1cc2ccccc2o1)c1cc2cc([N+](=O)[O-])ccc2o1 11159448 NAJHJLCGFYDRNZ-UHFFFAOYSA-N 307.261 4.318 5 40 DIBB O=c1oc2ccccc2cc1-c1cc([N+](=O)[O-])ccc1Cl 20134508 FNWGVQPVIJKXRQ-UHFFFAOYSA-N 301.685 4.022 5 40 DIBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)Cc2ccco2)cc1 15482894 NXPQKJPFBANGDK-UHFFFAOYSA-N 322.364 4.390 5 40 DIBB O=C(O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 95829725 ZMCLVNODVNQGAA-UHFFFAOYSA-N 309.730 4.098 5 40 DIBB Cc1c([C@@H](O)c2ccc3c4c(cccc24)CC3)cccc1[N+](=O)[O-] 226295667 XERHMMAGAJCKAW-HXUWFJFHSA-N 319.360 4.237 5 40 DIBB O=c1ccc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2o1 2624578 APYBRTFXDYUTDZ-UHFFFAOYSA-N 317.684 4.147 5 40 DIBB C[C@@H]1CCc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)csc2C1 5235401 BUNVXMVVBSRHCT-SNVBAGLBSA-N 316.382 4.033 5 40 DIBB CCc1ccccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 408964140 BWHYFPZWSSDZCO-UHFFFAOYSA-N 310.309 4.156 5 40 DIBB O=[N+]([O-])c1ccc([C@H]2N(c3ccccc3)C2(Cl)Cl)cc1 5390967 BLRTZVFCKAXKLM-FWJOYPJLSA-N 309.152 4.288 5 40 DIBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 6922800 WOWQJKZLYRKEIV-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2Cl)n1 22120181 VAYBIFCAQJORAH-UHFFFAOYSA-N 315.716 4.274 5 40 DIBB Cc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1C 408968300 YAYNFAQUEGVUCU-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB Cc1nnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12 25512886 PYSRZDRUDGAYLE-UHFFFAOYSA-N 315.716 4.292 5 40 DIBB Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1 4994773 XYXAGRIXTVHCNT-UHFFFAOYSA-N 324.296 4.103 5 40 DIBB O=[N+]([O-])c1cc(NCc2ncc(-c3ccccc3)o2)ccc1F 8324292 ZBFKDARMSLQQOO-UHFFFAOYSA-N 313.288 4.001 5 40 DIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2[nH]ncc12 48263976 ZSFRWMAOEIDXNO-UHFFFAOYSA-N 323.230 4.282 5 40 DIBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1C 14258327 CIJWMBGUVBPKEU-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB O=c1cc(-c2ccc(CO)cc2)oc2ccc3ccccc3c12 1777699049 DNYHKVXLVTVFPG-UHFFFAOYSA-N 302.329 4.106 5 40 DIBB Cc1cccc(C(=O)N(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] 63443057 ROHSOIBSKMXMAL-UHFFFAOYSA-N 316.401 4.231 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3ccccc3Br)oc2c1 73640058 ZLSVGVAZLGDNKB-UHFFFAOYSA-N 319.114 4.166 5 40 DIBB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 13674799 BQRYIZSTKUDNRA-CQSZACIVSA-N 312.369 4.011 5 40 DIBB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1[N+](=O)[O-] 32754281 RAEXYHFASRKOKP-GFCCVEGCSA-N 324.336 4.174 5 40 DIBB CCCCCc1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 1791786 GZXZKJCVEAFSJG-UHFFFAOYSA-N 316.386 4.099 5 40 DIBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])OC[C@H]1C[C@@H]2C=C[C@H]1C2 4800845 GNJIICQGFAXUAR-OUAUKWLOSA-N 322.748 4.009 5 40 DIBB O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 6048634 KFAYHVZUOCNDCH-XBXARRHUSA-N 321.292 4.222 5 40 DIBB Cc1ccc2c(=O)c(/C=C/c3ccc([N+](=O)[O-])cc3)coc2c1 19923618 WYVBZQYWEMPBNN-ZZXKWVIFSA-N 307.305 4.180 5 40 DIBB O=[N+]([O-])/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 107773537 CSRPHIUACFHUPB-VOTSOKGWSA-N 307.708 4.306 5 40 DIBB CC[C@@H](C)Oc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 408541026 AXSHVDGDIGGHHD-PFEDMVJOSA-N 302.330 4.239 5 40 DIBB Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1 4426034 APMQEEUVVAQOSL-UHFFFAOYSA-N 313.360 4.344 5 40 DIBB O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 4588382 AMFKPOOXJSAHLU-UHFFFAOYSA-N 312.108 4.121 5 40 DIBB C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 9882251 GSIDBAQKUVYUEE-NSHDSACASA-N 318.354 4.497 5 40 DIBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 5611899 CEYMRDSALYDGSG-UHFFFAOYSA-N 318.760 4.426 5 40 DIBB CC(C)Sc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 20612836 QVTITQXAECNAJU-UHFFFAOYSA-N 316.382 4.348 5 40 DIBB O=[N+]([O-])c1cc(F)ccc1Sc1nc(-c2ccccc2)c[nH]1 22957048 KKQJJFJTFUELHH-UHFFFAOYSA-N 315.329 4.275 5 40 DIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1382878 LZWKQUDNLNFCRK-CABCVRRESA-N 301.729 4.235 5 40 DIBB Nc1cc(-n2ccc3c([N+](=O)[O-])cccc32)cc(C(F)(F)F)c1 228924917 LAERQJCACKDBMP-UHFFFAOYSA-N 321.258 4.140 5 40 DIBB Cc1c(C(=O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 408600343 BPCKPBNBQUSFSL-UHFFFAOYSA-N 310.136 4.441 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 44903423 FHRHOXOIGCCGMU-LLVKDONJSA-N 318.760 4.048 5 40 DIBB CC1(C)[C@@H]2CC[C@@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 72221211 OVBAZMNMTLVARN-XCLFUZPHSA-N 318.376 4.023 5 40 DIBB CC[C@H](C)Oc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 408541024 AXSHVDGDIGGHHD-HUYFXPKMSA-N 302.330 4.239 5 40 DIBB O=[N+]([O-])c1ccccc1CN(C1CC1)[C@H]1CCc2ccccc21 84581878 PBQGIRSSGVUTKI-IBGZPJMESA-N 308.381 4.247 5 40 DIBB CCOC(=O)C(=O)c1ccc2ccc3cccc4ccc1c2c34 43504635 YIKYISJYFZRVJM-UHFFFAOYSA-N 302.329 4.330 5 40 DIBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(OC(C)C)cc3)oc12 85343024 FKKXHXAKSZGLPS-UHFFFAOYSA-N 312.325 4.499 5 40 DIBB CC(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1684211 RLMUTHZJFJXEEW-UHFFFAOYSA-N 302.286 4.419 5 40 DIBB Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 48289829 KJDMQUZMBBNPQQ-QGZVFWFLSA-N 324.380 4.127 5 40 DIBB O=[N+]([O-])c1ccc(-c2csc(COc3ccccc3)n2)cc1 1562718 JPISOUWNGXSFFC-UHFFFAOYSA-N 312.350 4.297 5 40 DIBB c1cncc(Cn2c3ccccc3c3nc4ccccc4nc32)c1 9419488 SCDZWSQTKQVJKM-UHFFFAOYSA-N 310.360 4.181 5 40 DIBB Cc1c(CN(Cc2ccco2)C2CCCC2)cccc1[N+](=O)[O-] 70022032 VAHGKYUDKPOTCA-UHFFFAOYSA-N 314.385 4.441 5 40 DIBB O=[N+]([O-])c1ccc([C@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296887 RDAKQAAQZABQFE-FQEVSTJZSA-N 317.344 4.248 5 40 DIBB O=C(Nc1cc2cccnc2c2cccnc12)N1CCCCCC1 408975274 LPXOLERIDAZSDS-UHFFFAOYSA-N 320.396 4.191 5 40 DIBB CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(C)cc2c1-c1ccccc1 5717793 UOCSDGUFRQGPFG-UHFFFAOYSA-N 324.336 4.228 5 40 DIBB CC(=O)Nc1ccc(/C=C\C=C/c2cccc([N+](=O)[O-])c2)cc1 17423196 YESPFJRWKIDADA-SXUARNTMSA-N 308.337 4.280 5 40 DIBB O=[N+]([O-])c1ccc(Oc2ncnc3c2oc2ccccc23)cc1 33012187 DLBWUVOCUKWBKA-UHFFFAOYSA-N 307.265 4.077 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 38754163 YUBPMTMDKXTWQD-TUPIDYKKSA-N 324.380 4.102 5 40 DIBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 13786465 NDAUHYKLJRYOQW-UHFFFAOYSA-N 307.762 4.057 5 40 DIBB O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Cl)c(F)c3)c2c1 1740818985 LTNKDOJEOWNONJ-UHFFFAOYSA-N 318.695 4.074 5 40 DIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3ccccc3)sc2c1 15084471 UZDIGBYOJAXQLD-UHFFFAOYSA-N 300.295 4.385 5 40 DIBB O=[N+]([O-])c1ccc(O)c(CSc2nc3ccccc3s2)c1 35406194 CGEPAPDYIGBMGO-UHFFFAOYSA-N 318.379 4.202 5 40 DIBB O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 71889265 GWAOOOAHQRFAJR-MRXNPFEDSA-N 313.313 4.066 5 40 DIBB O=C(O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 92120 YXJBPPSCOPYQHY-UHFFFAOYSA-N 309.730 4.098 5 40 DIBB O=[N+]([O-])c1cc(Oc2ccc3ccccc3c2)cc([N+](=O)[O-])c1 3204801 PYSGHBGASRXHGI-UHFFFAOYSA-N 310.265 4.449 5 40 DIBB O=C(O)c1cccc2c1cc(Br)c1ccccc12 1593459 PUNHHCKIWKCDIH-UHFFFAOYSA-N 301.139 4.454 5 40 DIBB Cn1cccc1C(/C=C/c1ccccc1[N+](=O)[O-])c1cccn1C 1613410 XUUFYGJZUGDYBA-VAWYXSNFSA-N 321.380 4.117 5 40 DIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl 4173481 QGPMMQGJELYWGU-UHFFFAOYSA-N 317.153 4.215 5 40 DIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1 217862898 SISZVJTWXMDESP-KRWDZBQOSA-N 312.369 4.093 5 40 DIBB C[C@@H]1CCC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1Br 226316771 GBURJHOKKIQHLW-NXEZZACHSA-N 313.195 4.125 5 40 DIBB COC(=O)c1cc(C)nc2c(C)cc3[nH]c4ccccc4c3c12 1691782 OYZOBBJVKHUJKS-UHFFFAOYSA-N 304.349 4.273 5 40 DIBB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 5869967 WFGXEYVGDUHFIU-GFCCVEGCSA-N 324.336 4.035 5 40 DIBB O=[N+]([O-])[C@@H]1[C@@H](c2ccccc2)C12c1ccccc1-c1ccccc12 4973017 LWKKJTAKWDOTEK-WOJBJXKFSA-N 313.356 4.396 5 40 DIBB Cc1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1 278945 GGQXRKGFDGPAQY-UHFFFAOYSA-N 307.353 4.373 5 40 DIBB Cc1ccc(C)c(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1 4981834 LCCQNYQZZYOPJB-UHFFFAOYSA-N 310.309 4.062 5 40 DIBB O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1c1nc2ccccc2o1 89874889 SXEYBOOVARTJQO-MRXNPFEDSA-N 323.352 4.468 5 40 DIBB Cc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 335669 OTHHXOPXEHFVEM-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CC(C)Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 550314 CIFUYXKOVDGXAR-UHFFFAOYSA-N 308.341 4.025 5 40 DIBB CCCC[C@@H](CC)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 1808583 YZMBVYDSXJYBMB-LLVKDONJSA-N 312.797 4.194 5 40 DIBB Cc1cc2ncn(-c3ccc([N+](=O)[O-])cc3Cl)c2cc1C 3446381 JEWKEGWHEQNQSQ-UHFFFAOYSA-N 301.733 4.204 5 40 DIBB CC(=O)n1c2ccc(C)cc2c2nc3cc(C)c(C)cc3nc21 13681211 MLUKTQPOKDOUBP-UHFFFAOYSA-N 303.365 4.323 5 40 DIBB COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c2ccccc12 169800224 PDCHVVOMKBQXNW-SFHVURJKSA-N 321.332 4.053 5 40 DIBB O=C(/C=C/c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 3344145 FNKRQEVBEJSNTA-BQYQJAHWSA-N 317.728 4.005 5 40 DIBB O=[N+]([O-])c1ccc2[nH]c(/C(Cl)=C/c3ccsc3)nc2c1 7133434 VXCQVFYBSISIKZ-YHYXMXQVSA-N 305.746 4.270 5 40 DIBB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C 59351166 RDFYDJCBABSGNO-USYSOWRXSA-N 324.380 4.102 5 40 DIBB Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1Cl 3323231 PAPXQBLQZCBFON-VQHVLOKHSA-N 316.744 4.209 5 40 DIBB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 3553855 DJPFQYISEFNTHF-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB O=[N+]([O-])c1ccc(NCc2ccc(Oc3ccccc3)nc2)cc1 60333596 BEPIATIUZJVSMV-UHFFFAOYSA-N 321.336 4.394 5 40 DIBB Cc1cccc(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 3617041 WTWKEQGWRCYOOG-UHFFFAOYSA-N 304.327 4.271 5 40 DIBB CC(=O)Oc1c(C(C)(C)C)cc(C)c([N+](=O)[O-])c1C(C)(C)C 139677089 NVMKIZMRJMFPTH-UHFFFAOYSA-N 307.390 4.424 5 40 DIBB CC(C)Sc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 10253302 BVXLALDDRNPUGA-UHFFFAOYSA-N 316.382 4.348 5 40 DIBB CCc1ccc(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 76555399 JMGQXFHULHGWOP-NSHDSACASA-N 311.341 4.174 5 40 DIBB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 223393742 UGBNRKPNAYBSBL-CQSZACIVSA-N 312.369 4.011 5 40 DIBB CSc1ccc(C(=O)Nc2ccc(F)cc2C)cc1[N+](=O)[O-] 5617621 PYRPQPDUQLZLBT-UHFFFAOYSA-N 320.345 4.017 5 40 DIBB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 10542756 DJGKGQPNBCLPIK-CQSZACIVSA-N 312.369 4.011 5 40 DIBB C[C@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 231974 WEAVKHATGKOQBH-CYBMUJFWSA-N 310.353 4.040 5 40 DIBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 21030907 DKEKGSNFYBRYQO-QMMMGPOBSA-N 312.156 4.470 5 40 DIBB C[N@@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1 248051833 NKNYMFHSPDODLJ-YZVOILCLSA-N 301.773 4.271 5 40 DIBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 8053684 XHDKBJIVQUQZOR-VIFPVBQESA-N 311.263 4.182 5 40 DIBB O=[N+]([O-])c1c(Cl)cc(Cl)c([N+](=O)[O-])c1-c1ccccc1 1686618 JUOWTURUEMTHDG-UHFFFAOYSA-N 313.096 4.477 5 40 DIBB COc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] 51853007 NNMNQLSECSNTMH-CQSZACIVSA-N 318.398 4.002 5 40 DIBB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] 4144878 XPQMKORTUWTAMK-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2C[C@@H]1c1ccccc12 100475249 KYZCCAROKGUPKK-IRWQIABSSA-N 323.348 4.185 5 40 DIBB O=[N+]([O-])c1ccccc1NCCNc1cccc2ccccc12 5689039 VDTJGROPROFWDU-UHFFFAOYSA-N 307.353 4.272 5 40 DIBB COc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 6085579 IHRMZFADNJOTKW-UHFFFAOYSA-N 308.721 4.009 5 40 DIBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 4508222 FCSJJUMQAIAXER-CYBMUJFWSA-N 318.760 4.381 5 40 DIBB COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1O 6601103 SDXHQEKGSLYWDP-FNORWQNLSA-N 322.320 4.028 5 40 DIBB CSc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 59204539 AMZGYMWPWWLDNF-INIZCTEOSA-N 312.394 4.298 5 40 DIBB O=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1[N+](=O)[O-] 16398999 GNAASXSWQZMMJC-UHFFFAOYSA-N 309.684 4.031 5 40 DIBB O=[N+]([O-])[C@H]1[C@H](c2ccccc2)C12c1ccccc1-c1ccccc12 4973016 LWKKJTAKWDOTEK-PMACEKPBSA-N 313.356 4.396 5 40 DIBB Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1[N+](=O)[O-] 7155756 UTSKJXMXHBBKJM-AWNIVKPZSA-N 314.728 4.049 5 40 DIBB Cc1cccc(CNc2ccc(-n3cccc3)cc2[N+](=O)[O-])c1 16349223 PXRSIBGMYGDWAL-UHFFFAOYSA-N 307.353 4.306 5 40 DIBB O=C(c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 15215917 LUUCBWRSWAJJLL-UHFFFAOYSA-N 301.685 4.225 5 40 DIBB O=C(Nc1cccc2ccccc12)OCc1ccccc1[N+](=O)[O-] 16545022 GRBQUHDKLFZEKM-UHFFFAOYSA-N 322.320 4.497 5 40 DIBB Cc1ccc(Sc2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])cc1 33381299 ZEEXVYNJSAWEML-UITAMQMPSA-N 315.350 4.152 5 40 DIBB CC(C)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc2c1=O 685938069 ISWHOZQKMTXQTD-UHFFFAOYSA-N 308.337 4.227 5 40 DIBB COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 75105842 WNTPMSNKNROQKN-MRXNPFEDSA-N 315.373 4.198 5 40 DIBB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1F 107974431 INZMJPCTWYTJOQ-MDZDMXLPSA-N 317.316 4.051 5 40 DIBB CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 14602592 RXKQDXVUQSNBLQ-INMULRNOSA-N 324.380 4.184 5 40 DIBB O=[N+]([O-])c1cc(Br)cc(Cl)c1N1CCCCC1 45958953 NWBIZJFJKLORAA-UHFFFAOYSA-N 319.586 4.001 5 40 DIBB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(C)cc1 107764640 WOXMPEQTQGKRDH-ZHACJKMWSA-N 313.353 4.220 5 40 DIBB CCOC(=O)c1[nH]c2ccc3c4ccccc4oc3c2c1[N+](=O)[O-] 5473844 YFPWXKPCIRLUNP-UHFFFAOYSA-N 324.292 4.152 5 40 DIBB O=[N+]([O-])c1ccc2nc(-c3cccc(Br)c3)oc2c1 73640049 UWSMVEHMAYPFIU-UHFFFAOYSA-N 319.114 4.166 5 40 DIBB CC1(C)[C@@H](CC[N+]2(C)CCCCC2)C[C@H]1C[N+]1(C)CCCCC1 3171943 WLXMWQVXXGMOTH-PMACEKPBSA-N 322.581 4.300 5 40 DIBB C[C@H](NCc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 8497354 YOZWNTVDNKISCG-GOBPUOAWSA-N 314.429 4.289 5 40 DIBB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 78457778 SFWWVFWWRQUWRT-MAUPQMMJSA-N 324.380 4.048 5 40 DIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 5671638 MATIWLFKTIGHCM-FPYGCLRLSA-N 320.707 4.039 5 40 DIBB O=C(O)c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 6085257 XTBCZEICLTUPDM-UXBLZVDNSA-N 320.304 4.012 5 40 DIBB CCc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 118392 UFKPCYBRKWNKEB-UHFFFAOYSA-N 305.717 4.030 5 40 DIBB O=C(Cc1ccc2ccccc2c1)OCc1cccc([N+](=O)[O-])c1 89878752 BPFVVNVCFWBSFW-UHFFFAOYSA-N 321.332 4.034 5 40 DIBB O=[N+]([O-])c1ccc(C[n+]2cccc3c4ccccc4ccc32)cc1 346817 DNSHMMSEARRWDC-UHFFFAOYSA-N 315.352 4.237 5 40 DIBB CC(C)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10338730 BWSQBWOWHDOMEM-UHFFFAOYSA-N 312.369 4.290 5 40 DIBB C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] 108245939 NPURAXOOIOUCNH-ZHACJKMWSA-N 317.728 4.197 5 40 DIBB Cc1c(NC(=O)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 485145 FTHUTHNNMGUFDU-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB C[C@@H](C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3135465 LDYOYHATFGPLPR-ZDUSSCGKSA-N 310.353 4.040 5 40 DIBB C[N+]1(C)[C@H]2CCCCCC[C@@H]2[N+](C)(C)[C@@H]2CCCCCC[C@@H]21 16918850 IGDCMQBWZFLQOX-LWYYNNOASA-N 308.554 4.336 5 40 DIBB CCC[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F 79101685 JFFVXKYVCFFKGQ-ZDUSSCGKSA-N 307.300 4.221 5 40 DIBB Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1[N+](=O)[O-] 12357685 YFUXUSJHZMKLQT-UHFFFAOYSA-N 323.352 4.249 5 40 DIBB O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccc3ccccc3c21 276272 VNMWWCHCIOIAND-KRWDZBQOSA-N 318.332 4.488 5 40 DIBB COc1cc(C)c(CSc2ccc([N+](=O)[O-])cc2)cc1OC 6647616 XLRUSUKVPPCIDH-UHFFFAOYSA-N 319.382 4.213 5 40 DIBB O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccs1 15837590 YCJIZHJUTWEYCG-ZDUSSCGKSA-N 317.370 4.025 5 40 DIBB O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 86981 RGVYMDARSMLQKU-UHFFFAOYSA-N 316.312 4.165 5 40 DIBB biogenic O=[N+]([O-])c1ccc(Oc2ccc(-c3nnco3)cc2)c(Cl)c1 3447284 CUEQUIRIKCQJDA-UHFFFAOYSA-N 317.688 4.091 5 40 DIBB COc1ccc(Cl)cc1-c1nc2ccc([N+](=O)[O-])cc2o1 216730676 NOKQUYOIWASKAU-UHFFFAOYSA-N 304.689 4.065 5 40 DIBB Cc1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 12979892 LSUYOTUYWWUWAZ-GFCCVEGCSA-N 324.336 4.140 5 40 DIBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 558002 RPJMORXYSGPDMF-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccccc2)CCCC1 16849035 HULODVKBEZTCFU-UHFFFAOYSA-N 324.380 4.354 5 40 DIBB CC(C)(C)c1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 34925935 XKWWXMKOBSSAQN-UHFFFAOYSA-N 322.368 4.344 5 40 DIBB Cc1cc2cc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N 68601040 IRIJCSSZEGCVGC-UHFFFAOYSA-O 314.412 4.051 5 40 DIBB O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1Cl 3882692 CUCJHOGVWAZTHT-UHFFFAOYSA-N 307.737 4.346 5 40 DIBB O=C(O[C@@H]1CCC/C=C/CCCC1)c1ccc([N+](=O)[O-])cc1 17422244 AOXGZHUREMOWOR-XGBNDESESA-N 303.358 4.421 5 40 DIBB O=[N+]([O-])c1ccc2nc(NCc3ccccc3Cl)sc2c1 59461236 UPTQSAWSTCOIJM-UHFFFAOYSA-N 319.773 4.470 5 40 DIBB O=C(O)C(=Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O 5553334 DDKAPJRMAHILLA-UHFFFAOYSA-N 316.312 4.137 5 40 DIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1Cl 10457615 HPKBBFOZJSBWSD-UHFFFAOYSA-N 318.760 4.128 5 40 DIBB Nc1ncnc(NC2CCCCCCCCCCC2)c1[N+](=O)[O-] 3912517 BPEAUVRBARHFMV-UHFFFAOYSA-N 321.425 4.052 5 40 DIBB Cc1ccc2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cccc2n1 9190342 YJYCWNGWZHNSOJ-UHFFFAOYSA-N 321.336 4.012 5 40 DIBB CCC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 13009854 GODMWTZRYJLVMC-HNNXBMFYSA-N 312.369 4.426 5 40 DIBB CCCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1OC 408557704 OJDNKAMZELAAKE-UHFFFAOYSA-N 316.357 4.004 5 40 DIBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl 5584106 RDPLFFOFALLRSD-UHFFFAOYSA-N 311.124 4.154 5 40 DIBB COc1ccc(CN2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] 51230664 PGEUHPPVDCQUAA-CYBMUJFWSA-N 318.398 4.002 5 40 DIBB Cc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)cc1 85346569 HNVXBXHFWKAJLA-UHFFFAOYSA-N 311.366 4.276 5 40 DIBB O=C(Cc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 4698900 DGEHKLLXXHFKGM-UHFFFAOYSA-N 324.311 4.068 5 40 DIBB Cc1ccc(OC(=O)c2ccc3nc4ccccc4nc3c2)cc1 408975078 JRMVIRQGLNTNSM-UHFFFAOYSA-N 314.344 4.311 5 40 DIBB COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1O 6831940 RGFHTNNLRADCHW-VMPITWQZSA-N 322.320 4.028 5 40 DIBB Nc1nc(-c2ccc(Cl)cc2)cc2c1c(=O)oc1ccccc12 33402508 WZNWYTLBANXDLX-UHFFFAOYSA-N 322.751 4.244 5 40 DIBB CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 14602494 AHORXDGOBOZIJM-MRXNPFEDSA-N 312.369 4.093 5 40 DIBB O=[N+]([O-])c1cc(CN2CCC[C@@H]2CCc2ccccc2)cs1 84528479 CVXLJGANTSMEQG-MRXNPFEDSA-N 316.426 4.254 5 40 DIBB O=[N+]([O-])c1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1 142772442 XMCXACRQCDGXBS-IBGZPJMESA-N 305.333 4.344 5 40 DIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)Cc1ccc(Cl)cc1 45888372 NOXNNLACFFIFDF-UHFFFAOYSA-N 318.760 4.046 5 40 DIBB O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccs1 15837587 YCJIZHJUTWEYCG-CYBMUJFWSA-N 317.370 4.025 5 40 DIBB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 13511278 FAVDDVFCEHOGER-RCBQFDQVSA-N 305.374 4.212 5 40 DIBB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 22420136 GWINTPXPBSONOV-OAHLLOKOSA-N 305.765 4.452 5 40 DIBB CCc1cc([N+](=O)[O-])cc(Br)c1NC1CCCC1 226317121 ISFLLGHJVWJGLP-UHFFFAOYSA-N 313.195 4.274 5 40 DIBB Cc1ccc([C@H](O)c2c(C)ccc3ccccc23)cc1[N+](=O)[O-] 226294325 IUDFWLFJDLDQNK-IBGZPJMESA-N 307.349 4.447 5 40 DIBB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5747167 VZXIOCFGDKJWOL-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1ccc([N+](=O)[O-])cc1)C2=O 221831426 QTRXRFYMTIINJJ-NOLJZWGESA-N 305.399 4.081 5 40 DIBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 138596778 OCKKOAYOJJPPGI-HNNXBMFYSA-N 300.745 4.230 5 40 DIBB CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 128569 PVPYJAGNBVAXSH-UHFFFAOYSA-N 318.760 4.371 5 40 DIBB Cc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 276688 KJBFYANVEUELBW-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB O=[N+]([O-])c1cc(Br)ccc1Oc1ccccc1F 42389006 JLQGFPAJGMDUSZ-UHFFFAOYSA-N 312.094 4.289 5 40 DIBB CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 8169654 JTJRBBFSLBWHLI-UHFFFAOYSA-N 322.773 4.222 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 30756017 FVRKTKNSZXTEGO-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB Cc1c(NC(=O)NC(C)(C)CC(C)(C)C)cccc1[N+](=O)[O-] 75109159 RDLMGEXPLLRCTK-UHFFFAOYSA-N 307.394 4.240 5 40 DIBB O=[N+]([O-])c1cccc([C@@H](O)c2ccc(-c3ccccc3)cc2)c1 226293518 ACPSZKUCNLRBSQ-IBGZPJMESA-N 305.333 4.344 5 40 DIBB O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 217268689 DWVIOMKFHSRQQM-UHFFFAOYSA-N 309.684 4.031 5 40 DIBB Cc1cc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)s1 36395973 HNWHLDYZBGAXMO-JTQLQIEISA-N 319.386 4.156 5 40 DIBB O=[N+]([O-])c1ccc(OCCCCOc2ccccc2)c(Cl)c1 1748131 PUAPTJIKESNLFV-UHFFFAOYSA-N 321.760 4.486 5 40 DIBB CC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 8148299 VKJOYMOBQJXIOS-UHFFFAOYSA-N 304.733 4.063 5 40 DIBB CCCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 14032005 ZHPVUEYMQDJIDK-UHFFFAOYSA-N 314.341 4.026 5 40 DIBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)c1 7098236 ZMRSJQVUGWWABP-NJAFHUGGSA-N 310.353 4.229 5 40 DIBB CC[C@@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408923329 WABZSJHCSCGANL-QFGUUYLXSA-N 324.380 4.050 5 40 DIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12 258818 HWMVJXGGXAAPLA-VAWYXSNFSA-N 318.332 4.400 5 40 DIBB CN(c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 216772421 DJEOWOZXSOYWIG-UHFFFAOYSA-N 313.195 4.126 5 40 DIBB Cc1cccc(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 9690399 BCISHKQTWXUPFD-ZDUSSCGKSA-N 313.357 4.128 5 40 DIBB O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 26423063 QRWDPGLAVJVIAX-UHFFFAOYSA-N 315.329 4.249 5 40 DIBB Cc1cc([N+](=O)[O-])cc(Br)c1NC1CCCCC1 45958891 RXTUZBSZFSJOFY-UHFFFAOYSA-N 313.195 4.410 5 40 DIBB CC(C)(C)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 40169537 MDONNWBXIFTVNK-UHFFFAOYSA-N 322.368 4.344 5 40 DIBB CC(C)[C@H](Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 6657425 JVILFKWTFKJGAC-INIZCTEOSA-N 310.357 4.280 5 40 DIBB Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2n1 19160814 BWULIUMOLHEFJT-UHFFFAOYSA-N 321.336 4.012 5 40 DIBB Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 69773240 GNECKOUSCUTWAU-UHFFFAOYSA-N 304.733 4.117 5 40 DIBB O=[N+]([O-])c1ccc(N[C@H](Cc2ccccc2)c2ccccc2)nc1 12927959 VOYNSOWHEYVPRX-GOSISDBHSA-N 319.364 4.386 5 40 DIBB CC(=O)[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3850167 KSQSZALWYBYMIV-OAHLLOKOSA-N 323.270 4.335 5 40 DIBB biogenic N=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2s1 5380034 NALGJDQGQPFRPU-UHFFFAOYSA-N 323.333 4.097 5 40 DIBB c1ccc2nc3c(nc2c1)c1ccccc1n3CN1CCCCC1 19988986 OQGIXCCLPBEDOZ-UHFFFAOYSA-N 316.408 4.181 5 40 DIBB CCc1ccc([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 78457793 VRZGPMXJGZPDCI-TZIYXEQSSA-N 324.380 4.048 5 40 DIBB C[C@]12CC3CC(Nc4ncccc4[N+](=O)[O-])(C1)C[C@](C)(C3)C2 100197606 NLKCUSCVSLWXRW-UNXMRWRESA-N 301.390 4.151 5 40 DIBB CCc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288759 SGRJQBOQODCQMX-UHFFFAOYSA-N 304.733 4.063 5 40 DIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1 840943 CUYOQKLJDVXHHJ-UHFFFAOYSA-N 310.353 4.045 5 40 DIBB O=C(NC1CCCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 3093821 VPFBUVGVZHJEHR-UHFFFAOYSA-N 310.781 4.091 5 40 DIBB CC1(C)[C@H]2CC=C(CCOC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 4800769 FSPIEEQLCZPVKH-HOCLYGCPSA-N 315.369 4.134 5 40 DIBB Cc1cccc([N+](=O)[O-])c1NC(=O)C1(c2ccccc2)CCCC1 6451140 MNJZAACTXGTLLB-UHFFFAOYSA-N 324.380 4.354 5 40 DIBB CCC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 13009853 GODMWTZRYJLVMC-OAHLLOKOSA-N 312.369 4.426 5 40 DIBB Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 48289827 KJDMQUZMBBNPQQ-KRWDZBQOSA-N 324.380 4.127 5 40 DIBB CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 14138730 WCOYDSHIIMUTMK-UHFFFAOYSA-N 312.350 4.086 5 40 DIBB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 59351123 FYOLJOJRAXDWPS-AWEZNQCLSA-N 312.369 4.011 5 40 DIBB Cc1cccc([N+](=O)[O-])c1NC(=O)Nc1cccc(Cl)c1 6234491 LHKIRWWWBGSIFE-UHFFFAOYSA-N 305.721 4.201 5 40 DIBB C[N+]1=C(/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)c2ccccc21 16890056 KWEPGDPPUHPCLM-VAWYXSNFSA-N 307.373 4.314 5 40 DIBB CC(C)(C)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 40169585 DJGXRIDPIQYAFR-UHFFFAOYSA-N 322.368 4.344 5 40 DIBB Cc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 276690 JQWMDNKVTHRVGA-UHFFFAOYSA-N 322.320 4.416 5 40 DIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccccc1 6660641 FCRBRYHSENJLLE-UHFFFAOYSA-N 315.328 4.199 5 40 DIBB O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)ccc1C(F)(F)F 95215638 JTIOGEQANRWHQD-UHFFFAOYSA-N 324.469 4.320 5 40 DIBB Cc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 408601628 KZJZVWIDLQYVRZ-UHFFFAOYSA-N 310.136 4.441 5 40 DIBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccco1 4512269 ZAIDQJHDLAPQHZ-UHFFFAOYSA-N 321.357 4.260 5 40 DIBB C[C@H]1C[C@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 226316680 GXDRCMWPIHRMED-IUCAKERBSA-N 303.189 4.384 5 40 DIBB CC(C)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 7499442 IIZIHACPGDSKNG-UHFFFAOYSA-N 324.340 4.132 5 40 DIBB CC[C@H](C)N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 57134891 CSYVNDZTLDXMPB-LBPRGKRZSA-N 323.392 4.205 5 40 DIBB O=[N+]([O-])c1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1 142772653 XMCXACRQCDGXBS-LJQANCHMSA-N 305.333 4.344 5 40 DIBB Cc1nnc(Sc2cc(Cl)c(Cl)cc2[N+](=O)[O-])s1 152624 JHODFDTVDLDPKQ-UHFFFAOYSA-N 322.198 4.213 5 40 DIBB Cc1ccc(-c2csc3nc4cc([N+](=O)[O-])ccc4n23)cc1 23907858 DTDTTZRAVCTKOI-UHFFFAOYSA-N 309.350 4.433 5 40 DIBB Cc1ccc(-c2nc3c(C)cccn3c2C[N+](C)(C)C)cc1C 61997477 HMPWAJPIBSWOCQ-UHFFFAOYSA-N 308.449 4.133 5 40 DIBB COC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1 1612998 AJKRLFVGAWNBKP-UHFFFAOYSA-N 323.304 4.308 5 40 DIBB O=[N+]([O-])c1ccc(Oc2ccc(OCC(F)(F)F)cc2)cc1 5570138 RWBUHWRUCHGTJC-UHFFFAOYSA-N 313.231 4.328 5 40 DIBB Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)co2)cc1 25286171 RXTIVPOXHVOCFU-UHFFFAOYSA-N 310.309 4.137 5 40 DIBB O=[N+]([O-])c1cccn2cc(-c3ccc(Cl)cc3Cl)nc12 36108823 QJDPOEVUUZWWHY-UHFFFAOYSA-N 308.124 4.216 5 40 DIBB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 59351120 FYOLJOJRAXDWPS-CQSZACIVSA-N 312.369 4.011 5 40 DIBB Cc1noc(/C=C/Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 100151931 GTIIYTRQHZLGFQ-NSCUHMNNSA-N 314.128 4.281 5 40 DIBB CC1(C)[C@@H]2CC[C@@]1(C)C[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 3846352 CINAWMSAVSSRHF-SIIHOXLZSA-N 317.385 4.214 5 40 DIBB CCN(CC)C[C@H](O)c1ccc2ccc3ccc(O)cc3c2c1 1577017 IJBPZONJMXCXSW-FQEVSTJZSA-N 309.409 4.074 5 40 DIBB Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 226305313 IXAZCQNWUVNCPJ-UHFFFAOYSA-N 306.793 4.298 5 40 DIBB COc1ccc2cc3c4cc(OC)c(OC)cc4ccn3c2c1 1624026 XGZUXDLZTSHJML-UHFFFAOYSA-N 307.349 4.272 5 40 DIBB O=[N+]([O-])c1ccc(NCCNc2cccc3ccccc23)cc1 58358234 ZQQLPIVAPRUNKQ-UHFFFAOYSA-N 307.353 4.272 5 40 DIBB Cc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2c1 5032595 JXCFVXUUGQQHGC-UHFFFAOYSA-N 310.309 4.210 5 40 DIBB CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 40105468 IMFMSWZJUJKERV-UHFFFAOYSA-N 302.305 4.110 5 40 DIBB C[C@@H]1CCCCN1C(=O)c1cc2ccccc2c2cccnc12 58185314 UFLIKFWUSUCRHF-CQSZACIVSA-N 304.393 4.403 5 40 DIBB Cn1cccc1-c1cc(C(=O)O)c2c(ccc3ccccc32)n1 32254165 JROSQLAEKBZULR-UHFFFAOYSA-N 302.333 4.092 5 40 DIBB O=[N+]([O-])c1ccc(Cl)cc1NC1C2CC3CC(C2)CC1C3 4694069 FDPGPSMPBITEHT-UHFFFAOYSA-N 306.793 4.485 5 40 DIBB CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 7792563 ZMDRSBHQCSMXAB-ZPHJMFTNSA-N 324.380 4.184 5 40 DIBB CCOc1cc(Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 9217493 OUGTZHOZCZQRES-UHFFFAOYSA-N 321.304 4.324 5 40 DIBB O=[N+]([O-])c1ccc2cnn(Cc3ccc(Cl)c(Cl)c3)c2c1 14730746 ISOPYQSMKPCAOC-UHFFFAOYSA-N 322.151 4.300 5 40 DIBB CSc1ccc(C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 6339764 LDIKVYMCJIBTOM-UHFFFAOYSA-N 316.382 4.186 5 40 DIBB CC(C)c1ccc(CNc2sc([C@H](C)O)cc2[N+](=O)[O-])cc1 95940379 ZSQRCOSVBKHJOG-NSHDSACASA-N 320.414 4.445 5 40 DIBB