smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1C 6339781 PLPUXUUNRICOIT-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccccc1 6924645 HGTMDGPUURFEHW-UHFFFAOYSA-N 271.276 3.547 5 40 CHBB CC(=O)Nc1c(O)c2ccccc2c2ccccc12 1663946 AIJMSWLMFPUVKY-UHFFFAOYSA-N 251.285 3.657 5 40 CHBB Nc1ccc2c(c1)[nH]c(=O)c1cc(Cl)c(Cl)cc12 8627716 LPGNNYZEXWMACW-UHFFFAOYSA-N 279.126 3.570 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 8286384 XRJWBFVRGJBVDJ-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 17024745 OHOJXICUXFHQHW-UHFFFAOYSA-N 299.330 3.533 5 40 CHBB CC[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC 6120135 BCEJQVARPFUUKC-STQMWFEESA-N 292.379 3.563 5 40 CHBB CC(=O)Nc1cc2c(c([N+](=O)[O-])c1C)C(C)(C)CC2(C)C 1747517 HMWNLAXJEJSCNA-UHFFFAOYSA-N 290.363 3.821 5 40 CHBB CCCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2736564 DUBMQFMXSSJZJT-LBPRGKRZSA-N 278.352 3.602 5 40 CHBB O=[N+]([O-])c1ccc2oc(/C=C/c3ccc(O)cc3)nc2c1 5027634 MAPBZSMGYXETSE-FPYGCLRLSA-N 282.255 3.612 5 40 CHBB C[C@H]1Cc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 5700953 URTDNWZWNHPMCT-LBPRGKRZSA-N 268.316 3.546 5 40 CHBB CC(C)c1ccc([C@H](O)c2cccc([N+](=O)[O-])c2)cc1 226291445 FGVUQYLUPPYTQI-INIZCTEOSA-N 271.316 3.800 5 40 CHBB CCc1cc2c(oc3c4ccccc4ccc23)c(=O)[nH]1 16958503 JQJGIQWPBDYABK-UHFFFAOYSA-N 263.296 3.990 5 40 CHBB CC(C)CO[C@@H]1C[C@H]2CCCC[N@+]2(Cc2ccccc2)O1 253589560 MKCYZLGVKVJMFE-CEXWTWQISA-N 290.427 3.890 5 40 CHBB O=C(O)c1cc(C2CC2)nc2ccc3ccccc3c12 1857793809 AFSSJPDVKYIXSY-UHFFFAOYSA-N 263.296 3.964 5 40 CHBB CSc1ccccc1N/C=C/c1onc(C)c1[N+](=O)[O-] 100329427 RNLYNQZHSKBTLO-BQYQJAHWSA-N 291.332 3.696 5 40 CHBB Cc1c(-c2ccc([N+](=O)[O-])cc2)oc2ccc(F)cc2c1=O 3294593 DFYMHCFCKCMPKK-UHFFFAOYSA-N 299.257 3.816 5 40 CHBB CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 14258387 METSEWIUQQELNG-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5454737 SMTRLMSLOIYECE-UHFFFAOYSA-N 270.716 3.623 5 40 CHBB CCCC[N+](CCCC)(CCCC)CCCOC(N)=O 5700856 HCNYVILLRMOSGE-UHFFFAOYSA-O 287.468 3.689 5 40 CHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 500069 HYIHKBFQELCVKB-INIZCTEOSA-N 298.342 3.722 5 40 CHBB C[C@@H](Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1 48289896 MWYUGJJHHPCNBX-JTQLQIEISA-N 291.738 3.686 5 40 CHBB O=[N+]([O-])c1ccc2sc(/C=C/c3cccnc3)nc2c1 7587134 FUQKOCMNRJCJNL-ZZXKWVIFSA-N 283.312 3.770 5 40 CHBB O=[N+]([O-])c1ccc(SCc2ccccc2Cl)nc1 301808687 YSJXWMIWQMDBAH-UHFFFAOYSA-N 280.736 3.936 5 40 CHBB Cc1cc([N+](=O)[O-])cc(Br)c1N1CCCCC1 45886340 CDZXNAAOKIRILG-UHFFFAOYSA-N 299.168 3.656 5 40 CHBB O=[N+]([O-])c1cc(Br)cc2c(Cl)ccnc12 40564510 AOWMMTCBPDKAEN-UHFFFAOYSA-N 287.500 3.559 5 40 CHBB Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12 218242326 LENNPDLPUDGLAF-UHFFFAOYSA-N 294.310 3.909 5 40 CHBB Cc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c(C)c1 4139547 FQSRPKMRCHWNHH-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB CC[C@@H](O)CNCc1c2ccccc2cc2ccccc12 6002939 FDHILNIEEMVICB-MRXNPFEDSA-N 279.383 3.854 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 304798 QMWDTTNHGAVMIM-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 2514083 BTIUWSMQLUEDSW-UHFFFAOYSA-N 267.693 3.541 5 40 CHBB C[C@H]1Cc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 8119039 BZBGWGUYKSDSSD-LBPRGKRZSA-N 268.316 3.546 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCC=CCC[C@@H]12 5022362 RFBTVNSAFANRSG-ZIAGYGMSSA-N 286.331 3.526 5 40 CHBB O=C(NCCC1=CCCCC1)Nc1cccc([N+](=O)[O-])c1 18175127 KBGHWZKCMDPGKP-UHFFFAOYSA-N 289.335 3.607 5 40 CHBB CN(C)C[C@@H](O)c1cc2ccccc2c2ccccc12 5599717 JSDURIUUFTVTBB-GOSISDBHSA-N 265.356 3.588 5 40 CHBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)cc3)oc12 73642663 UMCGXQLVVDEUBU-UHFFFAOYSA-N 298.298 3.974 5 40 CHBB O=[N+]([O-])c1ccc(Nc2cccc3ccccc23)nc1 4739899 WDOMYNZWVYYZHF-UHFFFAOYSA-N 265.272 3.887 5 40 CHBB O=[N+]([O-])c1c(Sc2ccc(F)cc2)nc2sccn12 8318709 IARNWGVKTRSCSQ-UHFFFAOYSA-N 295.320 3.594 5 40 CHBB CCCCn1nc(Br)c2cc([N+](=O)[O-])ccc21 72220012 FEHZLRAQHMGKFK-UHFFFAOYSA-N 298.140 3.507 5 40 CHBB O=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 27623411 QYOZWISVZCIUOL-UHFFFAOYSA-N 296.754 3.558 5 40 CHBB CCOC(=O)C(=O)c1c2ccccc2cc2ccccc12 1631236 NMSGHOZZHPACLJ-UHFFFAOYSA-N 278.307 3.739 5 40 CHBB CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 2747373 SDRZAXTUYNWQLJ-UHFFFAOYSA-N 292.379 3.946 5 40 CHBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(F)c1 45888874 RCEKBSYFSFEFFH-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB CC[N+](C)(CC)c1cccc(OC(=O)N2CCCCC2)c1 1718630 CMDAGDKQERIKQJ-UHFFFAOYSA-N 291.415 3.648 5 40 CHBB C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 24233788 ZQKYWYMUIGUOQW-VIFPVBQESA-N 291.332 3.539 5 40 CHBB Cc1cc(Br)c([N+](=O)[O-])cc1C(F)(F)F 95917838 ZROWPBUUFFSSLF-UHFFFAOYSA-N 284.031 3.685 5 40 CHBB CC(C)(COc1cccc([N+](=O)[O-])c1)C(F)(F)F 1083811778 OJVJZXKKKPFXHG-UHFFFAOYSA-N 263.215 3.562 5 40 CHBB Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1cccc(O)c1 90350 PHRNQCMOJDUOME-OAHLLOKOSA-N 296.326 3.591 5 40 CHBB Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccccc1 5573878 XVQBQEYCDBPXPA-MRXNPFEDSA-N 280.327 3.656 5 40 CHBB CC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)C 95858399 FLUGAOVQPATUEV-UHFFFAOYSA-N 258.494 3.516 5 40 CHBB CC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])c(Cl)c1 120373456 HSQAAGBGENAJDC-UHFFFAOYSA-N 292.678 3.638 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(Br)cc1Cl 45891419 MYTUPPCUVLUADY-UHFFFAOYSA-N 270.897 3.664 5 40 CHBB O=[N+]([O-])c1ccc(COC(=S)Nc2ccccc2)cc1 16490093 OLRNMTWIIMVOKX-UHFFFAOYSA-N 288.328 3.508 5 40 CHBB O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)co2)cc1 28580911 BHKHYWVKWFDCLT-UHFFFAOYSA-N 266.256 3.917 5 40 CHBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 22806582 SUSZHVREWIWFMO-VIFPVBQESA-N 277.711 3.816 5 40 CHBB CC[C@@](C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 132695 BDJWHESLWOYZNG-MRXNPFEDSA-N 266.300 3.814 5 40 CHBB c1cc2ccc3ccc(-n4cnnn4)c4ccc(c1)c2c34 411406 YREQSECNSOIWKW-UHFFFAOYSA-N 270.295 3.560 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2OCC[C@H]3CCCCN23)c1 57099761 JSWCLPVPOMBNDT-YGRLFVJLSA-N 296.754 3.522 5 40 CHBB CCCC[C@H](CC)CNC(=O)c1cccc([N+](=O)[O-])c1 5597363 CYGCGKPZQVHKCK-LBPRGKRZSA-N 278.352 3.541 5 40 CHBB O=C(O)c1cc2ccc3ccccc3c2nc1Cl 39868103 GABKJQOAUVKSBH-UHFFFAOYSA-N 257.676 3.740 5 40 CHBB C[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 169800167 SWNHASYIDZCGAT-NSHDSACASA-N 255.273 3.581 5 40 CHBB CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(C)c1 8473630 HURHFKSEOCSDQZ-UHFFFAOYSA-N 271.272 3.898 5 40 CHBB CCc1cccc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 580874 QGTDNRZORIXEDM-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB Nc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1691571 GAZRUDPNQMDFNU-UHFFFAOYSA-N 298.220 3.988 5 40 CHBB Cc1ccc(Sc2ccc(C=O)cc2[N+](=O)[O-])cc1 153674 PISSEQSHPLGJCY-UHFFFAOYSA-N 273.313 3.867 5 40 CHBB Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nc1C(F)F 575441635 OUAFAANEUHENIU-UHFFFAOYSA-N 287.653 3.680 5 40 CHBB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15938355 AKRDGBGDSLJKGO-AOOOYVTPSA-N 296.754 3.651 5 40 CHBB O=[N+]([O-])c1ccc2nc(Cl)c3ccccc3c2c1 1723738 GOPUUPOHWNURBF-UHFFFAOYSA-N 258.664 3.950 5 40 CHBB Cc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 6845420 DVHRHDAGBXIDHY-UHFFFAOYSA-N 289.266 3.686 5 40 CHBB Cc1cc(C)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 3565987 FUBQWMULWXOCHR-VMPITWQZSA-N 296.326 3.864 5 40 CHBB O=[N+]([O-])c1ccc(N2CCCCCC2)c2ncccc12 4182196 JMWXHKANWMSYGX-UHFFFAOYSA-N 271.320 3.523 5 40 CHBB COc1ccc2nc3cc(Cl)ccc3c(C=O)c2c1 4353248 DKPBSDRIZPBJRE-UHFFFAOYSA-N 271.703 3.863 5 40 CHBB CCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2749694 GHZRHXDMDGUINB-UHFFFAOYSA-N 288.259 3.858 5 40 CHBB Cc1cccc(Cn2cnc3c([N+](=O)[O-])c(C)c(C)cc32)c1 4052385 XGDIQNDKNZQMSI-UHFFFAOYSA-N 295.342 3.918 5 40 CHBB O=[N+]([O-])c1cccnc1Nc1cccc(C(F)(F)F)c1 5799309 VHVORGQOUOILSR-UHFFFAOYSA-N 283.209 3.752 5 40 CHBB Cc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 5748538 MSBVHIWAXMMCPU-UHFFFAOYSA-N 271.276 3.547 5 40 CHBB Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1C 3200402 VWHLDNBYDDTFMX-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cc2Cl)C1 196478705 QNPBNNRKQRPVJI-UWVGGRQHSA-N 268.744 3.731 5 40 CHBB CC(C)O[C@@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1 4289026 VSJOUNZXFBUJJJ-DVKDBIPTSA-N 276.400 3.642 5 40 CHBB O=C1Nc2ccccc2/C1=C\C=C\c1ccccc1[N+](=O)[O-] 3350022 VTEMHGGPYKYALH-WYMAPRSLSA-N 292.294 3.644 5 40 CHBB Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 8780309 ATVZXRMVIRRKAU-UHFFFAOYSA-N 278.695 3.531 5 40 CHBB COc1ccccc1[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] 15170203 ZFIJMDDREUQYKG-SNVBAGLBSA-N 290.294 3.916 5 40 CHBB c1ccc2c(c1)nc(CN1CCCC1)c1ccccc12 9883615 JICOMUMICKFCGM-UHFFFAOYSA-N 262.356 3.984 5 40 CHBB O=C(Nc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] 11613761 FTOPKTWTSCCRDW-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB CC(C)CC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] 84510289 WUDUIUINJVHILF-CYBMUJFWSA-N 277.368 3.785 5 40 CHBB Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] 588193 LWTKYVUJAXHLPY-CSKARUKUSA-N 282.299 3.555 5 40 CHBB CCN(CC)C(=O)Nc1cc2ncccc2c2cccnc12 6139139 KBFXJPTYBFELTG-UHFFFAOYSA-N 294.358 3.657 5 40 CHBB O=[N+]([O-])[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1c1ccc(Cl)cc1Cl 104282207 DAIZNWRWPDYRFJ-VLIVSTDHSA-N 284.142 3.928 5 40 CHBB O=[N+]([O-])c1sc2ccccc2c1Br 1668929 NEVPNAJUHZJMLO-UHFFFAOYSA-N 258.096 3.572 5 40 CHBB biogenic CC(C)(C)c1cc(N)cc(C(C)(C)C)c1[N+](=O)[O-] 19801502 MMWKKMHFSBKVKR-UHFFFAOYSA-N 250.342 3.772 5 40 CHBB O=Cc1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12 3156150 DYBPPJOGMDDXEJ-UHFFFAOYSA-N 266.256 3.556 5 40 CHBB CCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1C=O 20303922 QCUZOUKWDNDXPM-UHFFFAOYSA-N 270.288 3.565 5 40 CHBB Cc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccccc2)c1C 6814172 SXBXUGOMUOATJA-UHFFFAOYSA-N 285.303 3.856 5 40 CHBB O=[N+]([O-])c1ccc(/C=C/c2onc3ccccc23)cc1 3016277 YEJLRKWXYAJJQQ-JXMROGBWSA-N 266.256 3.906 5 40 CHBB CCc1cc([N+](=O)[O-])cc2nc(Cc3ccccc3)oc12 73642642 OMBCAQIGZBAFCB-UHFFFAOYSA-N 282.299 3.889 5 40 CHBB Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 5637182 SXPZJKVALCSVON-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C 13454202 XGGHHHBGPSNXFE-XYPWUTKMSA-N 282.448 3.516 5 40 CHBB world Cc1cc(Oc2ncc([N+](=O)[O-])s2)ccc1Cl 8716892 OZPKYBVHOUJIPR-UHFFFAOYSA-N 270.697 3.805 5 40 CHBB O=[N+]([O-])c1cccc2ccc(/C=C/c3ccncc3)nc12 9377379 BDSXFZQSPDUZJR-GQCTYLIASA-N 277.283 3.708 5 40 CHBB Cc1c(C(=O)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 2743120 AZFPNCMLRIPOKX-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5175761 WXYPSYZKIKOYJO-SNVBAGLBSA-N 282.315 3.889 5 40 CHBB O=[N+]([O-])c1ccccc1-c1nnc(/C=C/c2cccs2)o1 8306483 CAQVZAVDUXLNNE-BQYQJAHWSA-N 299.311 3.877 5 40 CHBB CC(C)[C@H](NCc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 95462183 DBTSEBOTHGQWOQ-KRWDZBQOSA-N 299.374 3.664 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1Oc1ncnc2ccsc12 48562169 VCPRVQWCKVNCGU-UHFFFAOYSA-N 287.300 3.700 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 15934554 FHYMPUSODPGZIM-UHFFFAOYSA-N 297.314 3.580 5 40 CHBB Cc1ccc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 20489810 ZNSQZLYGYFXGBN-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB O=C1Nc2ccc([N+](=O)[O-])cc2Oc2ccc(Cl)cc21 77285774 IMRJGFITISLSNA-UHFFFAOYSA-N 290.662 3.606 5 40 CHBB in-vitro O=[N+]([O-])c1ccc2oc(/C=C/c3ccccc3)nc2c1 3897843 LYHGJYFNRNZLFX-RMKNXTFCSA-N 266.256 3.906 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N(C)c1ccccc1 226316178 PBWBABLKSGDDIL-UHFFFAOYSA-N 256.305 3.925 5 40 CHBB O=C(O)/C=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 33374201 WQADAPOGGCODCY-UTCJRWHESA-N 293.662 3.606 5 40 CHBB CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 50197549 BCUOAXAVTAODKZ-ZDUSSCGKSA-N 257.293 3.553 5 40 CHBB C[C@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cn1 13011731 VGPMBFOSYMYQPN-LLVKDONJSA-N 297.314 3.933 5 40 CHBB CCCCOc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225277076 UXYWNMKMNNSWQR-UHFFFAOYSA-N 279.336 3.884 5 40 CHBB CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 35018434 SLDZIRZAKWYUED-UHFFFAOYSA-N 272.304 3.606 5 40 CHBB C[C@H](OC(=O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] 58014337 GANQHISXLCNFPA-ZDUSSCGKSA-N 299.326 3.832 5 40 CHBB O=[N+]([O-])c1cccnc1Oc1cccc(Br)c1 19514716 XOOGIJGFOKIQJA-UHFFFAOYSA-N 295.092 3.545 5 40 CHBB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 3482000 UQLSTSGCTHZFNU-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)NC1CCCCC1 5670909 KDISFNDHFGORQL-UHFFFAOYSA-N 297.742 3.702 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCCCCC1 43149839 DZDWAPRWEIXJGL-UHFFFAOYSA-N 291.351 3.748 5 40 CHBB Cc1nn(-c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1Cl 1644132 PHHBEDYSERXPLT-UHFFFAOYSA-N 286.118 3.704 5 40 CHBB O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])s2)s1 1665744 LHGZKGXXVBQKNL-UHFFFAOYSA-N 288.331 3.777 5 40 CHBB CC(C)(CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-] 1718052 MHTWGCVLUXGJND-UHFFFAOYSA-N 298.386 3.744 5 40 CHBB O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccccc2)cc1 54669768 PZBKBNLJEGNUAT-KRWDZBQOSA-N 282.343 3.932 5 40 CHBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1C 3321105 CGBZUWVRFMDIRW-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB CCOc1cccc2c(Cl)c([N+](=O)[O-])c(Cl)nc12 95098238 ZRCDYTHSTMCRGD-UHFFFAOYSA-N 287.102 3.849 5 40 CHBB CC[N+](C)(C)CCN(Cc1ccccc1)c1ccccc1 5333382 QGNYXCHIGVUUJX-UHFFFAOYSA-N 283.439 3.790 5 40 CHBB CCCN(CCC)c1ccc([N+](=O)[O-])cc1Cl 5139154 OYJJPFCGGNTTTO-UHFFFAOYSA-N 256.733 3.875 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 43343341 LNVWGIMVPZCSHA-UHFFFAOYSA-N 297.742 3.656 5 40 CHBB C[N+](C)(C)C[C@H]1CCCCCCCCCCC1=O 5855280 ZIILLCJHGGYCPK-OAHLLOKOSA-N 254.438 3.793 5 40 CHBB O=[N+]([O-])c1ccc(NCc2cccc3ccccc23)nc1 50197805 ZTMSKRLXBZBHFU-UHFFFAOYSA-N 279.299 3.755 5 40 CHBB O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 38081069 XIGDEDHEOAOOON-UHFFFAOYSA-N 295.653 3.992 5 40 CHBB in-vitro CC(C)c1nc2c([N+](=O)[O-])c(O)c3ccccc3c2o1 85409614 XQHJGNAVPVAZIP-UHFFFAOYSA-N 272.260 3.718 5 40 CHBB Cc1cccc(C)c1N/C=C/c1onc(C)c1[N+](=O)[O-] 100151906 ZRDMNUZLLAZHRE-BQYQJAHWSA-N 273.292 3.591 5 40 CHBB O=[N+]([O-])c1ccccc1[C@@H]1CN=NN1c1ccccc1 1679242 YSTXNWHBVMQFNQ-AWEZNQCLSA-N 268.276 3.523 5 40 CHBB COc1cc2c3c(cc4ccccc4c3c1OC)NC2=O 6017925 YHQIYHDLBZXUON-UHFFFAOYSA-N 279.295 3.576 5 40 CHBB biogenic,in-vitro CC(=O)N(c1cc(C)ccc1C)c1ccccc1[N+](=O)[O-] 4933700 JAYHFLTXDXKLBG-UHFFFAOYSA-N 284.315 3.896 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 100671253 XHMOJOKMAVMPLK-KKZNHRDASA-N 294.738 3.623 5 40 CHBB Cc1ccc(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 5109276 SVYHJZGGXYUNIX-LBPRGKRZSA-N 285.299 3.553 5 40 CHBB CCOc1cccc(CNc2cccc([N+](=O)[O-])c2)c1 37486494 DIZKMCZNXDKTFF-UHFFFAOYSA-N 272.304 3.606 5 40 CHBB CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl 258643 QNXAMGZEABUAPL-JTQLQIEISA-N 296.754 3.653 5 40 CHBB CSc1cccc(N/C=C/c2onc(C)c2[N+](=O)[O-])c1 100334943 VJWPFPWLTQYMPD-VOTSOKGWSA-N 291.332 3.696 5 40 CHBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c[nH]2)nc1 12769342 XZQPOYIECVUZDG-UHFFFAOYSA-N 298.327 3.531 5 40 CHBB Cn1c2c(c3ccc4ccccc4c3c1=O)CCCC2 384456 FIGZPKGVCWCJBB-UHFFFAOYSA-N 263.340 3.571 5 40 CHBB COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)sc2c1 14984388 ZSRQOGLPEUHLQQ-UHFFFAOYSA-N 286.312 3.880 5 40 CHBB Cc1ccc(C)c(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 226291883 BQTRVTQJMYSLJJ-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB Cc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 482806 GBNYIAJHSXOXQJ-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1ccc([N+](=O)[O-])c(Oc2ncnc3ccsc23)c1 48391424 RRDNXLZYQCMZQL-UHFFFAOYSA-N 287.300 3.700 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccsc1 57659264 MXHCDHLTCGDXSR-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB O=C(OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 5236599 KZIZRCJLUOADAX-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB O=[N+]([O-])c1cc2ccccc2nc1-c1ccccc1 1843076 VGUWSOYCWQHGOH-UHFFFAOYSA-N 250.257 3.810 5 40 CHBB Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1C 20547545 LISFFUMHLJUBAR-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB O=[N+]([O-])c1ccc(N[C@@H](c2nccs2)C2CC2)cc1 95972053 CRCTYYYGIYHTFR-GFCCVEGCSA-N 275.333 3.615 5 40 CHBB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1cc([N+](=O)[O-])ccc12 100470658 QISHSLGQRNLFBK-STQMWFEESA-N 290.319 3.722 5 40 CHBB Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 579812 SLCFQZFVOGQVLL-LBPRGKRZSA-N 284.315 3.645 5 40 CHBB C[C@@H](OC(=O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] 58014338 GANQHISXLCNFPA-CYBMUJFWSA-N 299.326 3.832 5 40 CHBB Cn1c2ccccc2c2nc3cc(Cl)ccc3nc21 5689859 BIORCVKAROJUCN-UHFFFAOYSA-N 267.719 3.928 5 40 CHBB C[C@H]1C[C@@H](C)CN(c2c(Cl)cccc2[N+](=O)[O-])C1 216767023 ZYXYEMCNDFVPIG-AOOOYVTPSA-N 268.744 3.731 5 40 CHBB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 5529246 JVPDPAWDXPYARO-UWVGGRQHSA-N 296.754 3.651 5 40 CHBB CC[N+](C)(CC)Cc1cc2ccccc2c2c1COC2 206965 VVMCUHYQAQWILB-UHFFFAOYSA-N 270.396 3.856 5 40 CHBB CC1(C)CC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)ccnc2C1 8560237 GQLKSTQDGYYQBE-UHFFFAOYSA-N 296.326 3.812 5 40 CHBB Cc1cc(Oc2ncccc2[N+](=O)[O-])ccc1Cl 7185980 YZEVEVYLKXVTKG-UHFFFAOYSA-N 264.668 3.744 5 40 CHBB CC1(C)CCC2(CC1)CC[N+](C)(CCC[N+](C)(C)C)CC2 1680250 RNZJUHKZAKKECO-UHFFFAOYSA-N 296.543 3.910 5 40 CHBB Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 1702713 FMNQDRHTAPQIRV-UHFFFAOYSA-N 288.259 3.912 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCCC1 45958994 KQQWHMMGYRWNSH-UHFFFAOYSA-N 261.108 3.502 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(N2CCCCC2)c(Cl)c1 45885779 NHCWRKKXJNMLOX-UHFFFAOYSA-N 275.135 3.892 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2OCC[C@@H]3CCCCN32)c1 13555761 JSWCLPVPOMBNDT-HZMBPMFUSA-N 296.754 3.522 5 40 CHBB CCC(C)(C)Nc1c([N+](=O)[O-])c(=O)sc2ccccc12 4593977 SSCDJGWGSIKICV-UHFFFAOYSA-N 292.360 3.770 5 40 CHBB CC(C)O[C@@]1(c2ccc([N+](=O)[O-])cc2)COc2ccccc21 35289 XBWXSCOCQPYNSE-QGZVFWFLSA-N 299.326 3.656 5 40 CHBB O=[N+]([O-])c1ccc(-c2cccc(Cl)c2)c([N+](=O)[O-])c1 1686620 DZXBWCNHYJCCKZ-UHFFFAOYSA-N 278.651 3.823 5 40 CHBB CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 22761318 BZSWVSYCGLLRBA-KRWDZBQOSA-N 282.343 3.714 5 40 CHBB COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1 34258611 ZOKYIFYCPTXDCW-ONEGZZNKSA-N 285.299 3.782 5 40 CHBB O=C(O[C@@H]1/C=C/CCCCC1)c1ccc([N+](=O)[O-])cc1 104104753 XDRNSOJKKJUDTM-YVARQFDVSA-N 275.304 3.641 5 40 CHBB Cc1ccc(C)c(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 41146175 CMZHVHNXWHKDEJ-UHFFFAOYSA-N 297.314 3.667 5 40 CHBB CCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 9141711 ZGAMFXIMWJAWTD-UHFFFAOYSA-N 288.278 3.549 5 40 CHBB CCN(CC)CCCCCCOc1ccc([N+](=O)[O-])cc1 23115451 WIBODSQJVIRROA-UHFFFAOYSA-N 294.395 3.876 5 40 CHBB Cc1ccc([N+](=O)[O-])c2c1[C@H](N1CCCCC1)C(C)(C)O2 4105242 FQRSRRCCNFUWDY-HNNXBMFYSA-N 290.363 3.601 5 40 CHBB C[C@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2Cl)C1 196478693 QNPBNNRKQRPVJI-AOOOYVTPSA-N 268.744 3.731 5 40 CHBB O=[N+]([O-])c1cccc(OC(Cl)(Cl)Cl)c1Cl 95215553 ZZKRWXFYVYJMQE-UHFFFAOYSA-N 290.917 3.955 5 40 CHBB CC(C)[C@H]1COC(c2ccc3ccc4cccnc4c3n2)=N1 642814350 KFZSXYJHEURXNK-OAHLLOKOSA-N 291.354 3.584 5 40 CHBB O=C(Nc1ccc2ccccc2c1[N+](=O)[O-])C1CCCC1 4659190 SFBLMZACNTVKFN-UHFFFAOYSA-N 284.315 3.877 5 40 CHBB CCCCC(=O)c1ccc(Br)c([N+](=O)[O-])c1 2270981 CHZNUVLWRDIABQ-UHFFFAOYSA-N 286.125 3.730 5 40 CHBB CC[C@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 272933 QQDVTEKQCBEBEK-JTQLQIEISA-N 288.303 3.954 5 40 CHBB O=c1[nH]c2c(Cl)cc(Cl)cc2c2ccccc12 8649792 UVVUGUIGMAOZEP-UHFFFAOYSA-N 264.111 3.988 5 40 CHBB COc1ccc2cc(C(=O)O)c3ccc(OC)cc3c2c1 1889083335 BACXBJBWZLZERN-UHFFFAOYSA-N 282.295 3.708 5 40 CHBB Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[C@@H]1[C@H](C2)C1(C)C 16040648 QCAZKFOEFWNOMV-WFASDCNBSA-N 295.342 3.656 5 40 CHBB O=[N+]([O-])c1ccc(CN2CCCc3ccccc32)cc1 8119060 XVHZWGNJAMSKJG-UHFFFAOYSA-N 268.316 3.548 5 40 CHBB O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CCC2)nc1 14808766 IWOVTPMQBSNHQO-UHFFFAOYSA-N 283.331 3.524 5 40 CHBB O=[N+]([O-])c1ccc(Nc2nc3ccccc3s2)cc1 3850812 ZFVXGNGPIXWVEL-UHFFFAOYSA-N 271.301 3.948 5 40 CHBB aggregator,biogenic,in-vitro CCOc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 10109823 DDYKEGXYCPNAOL-UHFFFAOYSA-N 284.271 3.802 5 40 CHBB Cc1ccc2nc(-c3ccccc3)c(C[N+](C)(C)C)n2c1 13137954 HXBOHOAQSUAQDU-UHFFFAOYSA-N 280.395 3.516 5 40 CHBB CN(C)/C=C/c1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 95496235 FLFADSKSKWODTK-ZHACJKMWSA-N 298.342 3.706 5 40 CHBB O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 92559 GYJJAGTWEVVCTI-UHFFFAOYSA-N 284.193 3.801 5 40 CHBB Cc1cc(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 1664073 LPCIIXUTNSHHLF-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB O=[N+]([O-])c1ccc([C@@H]2CN=NN2c2ccccc2)cc1 1679243 GGCXLICRZZFDTF-AWEZNQCLSA-N 268.276 3.523 5 40 CHBB Cc1cc(-c2cc(C)c([N+](=O)[O-])s2)sc1[N+](=O)[O-] 2172884 JUYNXZKETGZBIR-UHFFFAOYSA-N 284.318 3.910 5 40 CHBB O=C(CSCc1ccccc1)c1cccc([N+](=O)[O-])c1 5947162 FYZFISAQJGDFHN-UHFFFAOYSA-N 287.340 3.711 5 40 CHBB Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 3284644 VZLTTYUFEROUGV-UHFFFAOYSA-N 291.690 3.776 5 40 CHBB CCCCN(CCCC)c1ccc([N+](=O)[O-])c2nonc12 96031416 HBYRXKMOKIVRNS-UHFFFAOYSA-N 292.339 3.538 5 40 CHBB in-vitro CCCCSc1ccc(C(C)=O)cc1[N+](=O)[O-] 6264542 MFDLKVRBWICFLM-UHFFFAOYSA-N 253.323 3.690 5 40 CHBB C[C@H](C[C@@H]1OC[C@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C 4728529 NBLWOKORNFBCIG-IXDOHACOSA-N 298.491 3.821 5 40 CHBB Cc1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990681 RDCSLHZGGUQUBF-UHFFFAOYSA-N 296.326 3.574 5 40 CHBB Cc1cc([N+](=O)[O-])cc(C)c1-c1ccccc1[N+](=O)[O-] 1675955 NZXSVCGTIANRNU-UHFFFAOYSA-N 272.260 3.787 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NCc1cnc(Cl)s1 95971359 VFCVCPGUPCRKGN-UHFFFAOYSA-N 283.740 3.625 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1C=CCC1 2043234 LGHUYORSEFKWRZ-MRVPVSSYSA-N 274.103 3.999 5 40 CHBB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 259040 AKRDGBGDSLJKGO-NXEZZACHSA-N 296.754 3.651 5 40 CHBB CC(=O)Oc1cc(C)c2sc3ccccc3c(=O)c2c1 4481813 DLQRXJBSVRWZSJ-UHFFFAOYSA-N 284.336 3.648 5 40 CHBB Cc1ccc(OC/C=C\c2ccc([N+](=O)[O-])cc2)cc1 4900526 NBMUCFFOPVZPBW-IHWYPQMZSA-N 269.300 3.995 5 40 CHBB Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1cccs1 1463350 OXVDVBZCVBPDOM-LBPRGKRZSA-N 286.356 3.946 5 40 CHBB Cc1cccc(CSc2ccc([N+](=O)[O-])cn2)c1 6967305 VKQMYAXHJFBWAX-UHFFFAOYSA-N 260.318 3.591 5 40 CHBB O=[N+]([O-])c1ccccc1N[C@H]1C[C@H]1c1ccccc1 44416514 RINDMNJRVBMIDW-JSGCOSHPSA-N 254.289 3.563 5 40 CHBB CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCCCC1 226315329 BPXQDYFGBDEALW-UHFFFAOYSA-N 268.744 3.801 5 40 CHBB Cc1cccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)c1 102534866 XPUYENVBGNYHCZ-SAPNQHFASA-N 296.282 3.587 5 40 CHBB Cc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 16954285 VPNQICVSXJMXGC-YFHOEESVSA-N 282.299 3.555 5 40 CHBB Nc1cccc2c(=O)c3cccc(-c4ccccc4)c3[nH]c12 6733661 GGONNJZYFDPHQF-UHFFFAOYSA-N 286.334 3.931 5 40 CHBB O=[N+]([O-])c1cc(F)c(Cl)cc1OC(F)(F)Cl 95215433 GVTPUDHXYVNSIF-UHFFFAOYSA-N 275.997 3.555 5 40 CHBB COC(=O)c1cccc2ccc3cccc(C=O)c3c12 1689989 RYOUOWCWFIVTIA-UHFFFAOYSA-N 264.280 3.592 5 40 CHBB Cc1ccc2c(c1)-c1cccc([N+](=O)[O-])c1C[C@@H]2C#N 133206 LTHOJKQKLLBZSZ-LLVKDONJSA-N 264.284 3.734 5 40 CHBB COc1ccc(/C=C\[N+](=O)[O-])cc1OCc1ccccc1 4701633 JNMKPRLNICRRIV-KTKRTIGZSA-N 285.299 3.522 5 40 CHBB in-vitro O=[N+]([O-])c1ncccc1OCc1ccc(Cl)c(Cl)c1 7044759 OLDVUSBUVYZBLX-UHFFFAOYSA-N 299.113 3.876 5 40 CHBB C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl 45885783 GJWNFYLSGIHTKO-SECBINFHSA-N 254.717 3.627 5 40 CHBB O=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 1711047 XSEMUKMNZACXOL-UHFFFAOYSA-N 294.650 3.949 5 40 CHBB Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 44903397 VWHOYIWSKMKSGM-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB CCCOc1ccc(C(=O)CC[N+]2(C)CCCCC2)cc1 5431710 ONPMJOOQWARINX-UHFFFAOYSA-N 290.427 3.679 5 40 CHBB CC/N=c1/cc2oc3cc(NCC)c(C)cc3nc-2cc1C 101799102 PWLZRLVLUJPWOB-ZHZULCJRSA-N 295.386 3.902 5 40 CHBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 5547021 YPPHJRLDCHXWIL-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])oc2ccccc12 4749112 CPRVYFKSYVMTHT-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB C[N+](C)([O-])CC/C=C1\c2ccccc2COc2ccccc21 65740669 QJCSDPQQGVJGQY-GZTJUZNOSA-N 295.382 3.975 5 40 CHBB world C[C@H]1Cc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 15255393 LCZSCWYMAIXKRY-LBPRGKRZSA-N 268.316 3.546 5 40 CHBB c1cnc2c3ccncc3c3nc(-c4ccncc4)[nH]c3c2c1 13211771 CCDGVZUEYDPLQB-UHFFFAOYSA-N 297.321 3.721 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCCC1 37328602 JTWOPNDQKSMGCX-UHFFFAOYSA-N 274.242 3.968 5 40 CHBB CC(=O)Oc1c(O)c2ccccc2c2ccccc12 1600165 MKAILPKBUQHGKH-UHFFFAOYSA-N 252.269 3.624 5 40 CHBB Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 40099079 FKVIZTSQJKFQSG-UHFFFAOYSA-N 299.330 3.533 5 40 CHBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 482802 BNPOJCWWGFILQP-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=C(OCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 564435 BJHOVQURBXJXQT-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB Cc1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)c1 20897519 WDMRFEUKSVJFBZ-UHFFFAOYSA-N 297.314 3.667 5 40 CHBB Cc1ccc2cc3c(=O)oc4ccccc4c3nc2c1 382985 RWRROMRGOGNAFC-UHFFFAOYSA-N 261.280 3.803 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3ccc(F)cc3)oc2c1 40951235 HETXJBGOMDDJSY-UHFFFAOYSA-N 258.208 3.542 5 40 CHBB Cc1ccc(OCc2ncc(C(C)C)o2)c([N+](=O)[O-])c1 69617808 QBDNTZSFVZFGDX-UHFFFAOYSA-N 276.292 3.594 5 40 CHBB O=C(Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 5604012 MGWCWWXAQJLGDE-UHFFFAOYSA-N 276.679 3.501 5 40 CHBB Cc1c2ccnc(C(N)=O)c2c(C)c2c1[nH]c1ccccc12 1572881 LXKIIMAUMJSHGL-UHFFFAOYSA-N 289.338 3.585 5 40 CHBB CC(C)O[C@@H]1C[C@H]2CCCC[N@+]2(Cc2ccccc2)O1 253589757 VSJOUNZXFBUJJJ-FGTMMUONSA-N 276.400 3.642 5 40 CHBB CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 19407655 TZEWLYPEPGFDCE-UHFFFAOYSA-N 296.754 3.653 5 40 CHBB CCOC(=O)c1cc(C)c(-c2cccc([N+](=O)[O-])c2)s1 339145 IZLMJYWLJCDLPQ-UHFFFAOYSA-N 291.328 3.808 5 40 CHBB CC[N+](CC)(CC)CCCC[N+](CC)(CC)CC 1683758 YUDFVGXOXFMORI-UHFFFAOYSA-N 258.494 3.520 5 40 CHBB O=[N+]([O-])c1ccc(NCCc2ccccc2)c2ccncc12 12609942 NPDGDXKMUXADSJ-UHFFFAOYSA-N 293.326 3.798 5 40 CHBB CN(Cc1cccs1)c1ccc([N+](=O)[O-])c2cccnc12 12522540 REHBGYNBKDERIL-UHFFFAOYSA-N 299.355 3.841 5 40 CHBB Cc1ccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 16468076 WICXSCKRMOWJKO-LBPRGKRZSA-N 285.299 3.821 5 40 CHBB O=[N+]([O-])c1c(NC2CCCCC2)cc(Cl)c2nonc12 5296173 FPPDTJLFEZIALU-UHFFFAOYSA-N 296.714 3.529 5 40 CHBB COc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 16972200 PDFBJCRLHMEJQP-IHWYPQMZSA-N 255.273 3.774 5 40 CHBB Cc1nc(-c2ccccc2[N+](=O)[O-])nc2ccccc12 16266635 WAUZFDILNYXIIK-UHFFFAOYSA-N 265.272 3.513 5 40 CHBB O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl 128567 VGOMNEZPQJWXJM-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB C[C@@H](C[C@@H]1OC[C@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C 4728528 NBLWOKORNFBCIG-YESZJQIVSA-N 298.491 3.821 5 40 CHBB Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 3043664 SWVYXZJPSWERNA-UHFFFAOYSA-N 274.232 3.604 5 40 CHBB COc1ccc(F)cc1[C@H](C)Nc1ccccc1[N+](=O)[O-] 52426607 SMPFLNOWHGXALI-JTQLQIEISA-N 290.294 3.916 5 40 CHBB Cc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2o1 61997448 KALYJYKFJXQGPO-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB Cc1cc(C(=O)O[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] 12949206 ZDJIFFYFQMWWDF-INIZCTEOSA-N 297.310 3.748 5 40 CHBB Cc1cc(-c2ccc(/C=C/C(=O)O)o2)c([N+](=O)[O-])cc1C 70461253 BQWYHTOPMRPMQC-GQCTYLIASA-N 287.271 3.569 5 40 CHBB Cc1n[nH]c(Nc2cccc3ccccc23)c1[N+](=O)[O-] 5012642 MNQMIKAKATWDGI-UHFFFAOYSA-N 268.276 3.523 5 40 CHBB Cc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 6212848 MQAWBVBFCAZQEM-UHFFFAOYSA-N 285.303 3.856 5 40 CHBB CCCCC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3155000 CDLBHTDMEJGALB-SRXBQZRASA-N 290.363 3.693 5 40 CHBB CC(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)[C@H](C)[N+](=O)[O-] 3058456 JMJGTAJCIPQMSZ-DOPJRALCSA-N 297.354 3.808 5 40 CHBB O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl 152895 FWOIZBPDLQNFFF-UHFFFAOYSA-N 295.653 3.607 5 40 CHBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 1738937 RBNYTQHMWWTQFB-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=[N+]([O-])c1ccc(OC(F)(F)F)cc1C(F)(F)F 2540389 XAQJJGVATOEXOA-UHFFFAOYSA-N 275.104 3.512 5 40 CHBB N[C@H](CCCO)Cc1cc2ccccc2c2ccccc12 8627265 MEFNLVKYGCLFGH-MRXNPFEDSA-N 279.383 3.635 5 40 CHBB O=C(Nc1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccccc1 32927919 HVQKTOCTDGRDGO-AWEZNQCLSA-N 297.314 3.574 5 40 CHBB Cc1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4017517 JVJBEOSEUPEYFZ-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Cc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 226291917 HPUIXHQJANHIDG-MRXNPFEDSA-N 271.316 3.602 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CCC2 12779398 LUFAISQWMACHAF-UHFFFAOYSA-N 296.326 3.644 5 40 CHBB O=c1[nH]c2cc(Cl)ccc2c2cc(Cl)ccc12 16951164 IPPRLUWSQAMRFS-UHFFFAOYSA-N 264.111 3.988 5 40 CHBB CC(C)CO[C@@H]1C[C@H]2CCCC[N@@+]2(Cc2ccccc2)O1 253589567 MKCYZLGVKVJMFE-QYZOEREBSA-N 290.427 3.890 5 40 CHBB C[C@H](c1cccc(Cl)c1)N(C)c1ccc([N+](=O)[O-])cn1 48976697 YIQBXRFSYYEUCZ-SNVBAGLBSA-N 291.738 3.841 5 40 CHBB CCCOc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 37977929 BDTWPDNUAZSKLA-UHFFFAOYSA-N 286.331 3.996 5 40 CHBB COc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC[C@@H]1C 45886410 JOXSQLSGMRMQGJ-VIFPVBQESA-N 284.743 3.636 5 40 CHBB CCOc1ccc2ccc(OCC)c(/C=C\[N+](=O)[O-])c2c1 4545127 OGAGULJHSWGLMB-KTKRTIGZSA-N 287.315 3.885 5 40 CHBB C[C@H]1CCC(C)(C)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 2041948 BOJBVZPXXKSIKK-QMMMGPOBSA-N 264.281 3.678 5 40 CHBB O=c1ccc2c3ccc(=O)c4cccc(c5cccc1c52)c43 1686586 FUTARTAINOHELR-UHFFFAOYSA-N 282.298 3.895 5 40 CHBB biogenic O=c1c2ccccc2n2c3ccccc3c(=O)c3cccc1c32 5590111 YDGSSOWNWNPOKN-UHFFFAOYSA-N 297.313 3.557 5 40 CHBB Sc1ncnc2c1sc1nc3ccccc3cc12 13534755 OISZTUMJXPGANF-UHFFFAOYSA-N 269.354 3.681 5 40 CHBB O=[N+]([O-])c1cc2c3c(cccc3c1)C(F)(F)OC2(F)F 68590921 ZNMVEQTZVWULNZ-UHFFFAOYSA-N 287.168 3.877 5 40 CHBB Cc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 40095669 DKBUAASMXKBKKM-UHFFFAOYSA-N 299.330 3.533 5 40 CHBB Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccccc1Cl 5218682 WUUCEDUEOOIERI-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CC1(C)Cc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc2O1 10299648 FVEAMIBIJBYOBF-UHFFFAOYSA-N 298.342 3.920 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccccc1 40095759 ZGUWXQUYHZSESJ-GFCCVEGCSA-N 299.330 3.786 5 40 CHBB Cc1cc(C)cc(COC(=O)c2ccccc2[N+](=O)[O-])c1 3502724 BORLZAMIRAJKHY-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB O=c1sc2ccccc2c(Nc2ccccc2)c1[N+](=O)[O-] 8656573 LIBDTFQESDZGLE-UHFFFAOYSA-N 298.323 3.913 5 40 CHBB O=[N+]([O-])c1cccnc1Oc1cccc(C(F)(F)F)c1 481379 DXDXAPIJIQXQIH-UHFFFAOYSA-N 284.193 3.801 5 40 CHBB NC(=S)Nc1cccc2cc3ccccc3cc12 8855122 CUUKGXSPDGJRTM-UHFFFAOYSA-N 252.342 3.649 5 40 CHBB Cc1cccc([N+](=O)[O-])c1-c1c(C)cccc1[N+](=O)[O-] 4300893 UFWJYJCNLOWJCO-UHFFFAOYSA-N 272.260 3.787 5 40 CHBB COc1ccc(F)cc1[C@@H](C)Nc1ccccc1[N+](=O)[O-] 52426608 SMPFLNOWHGXALI-SNVBAGLBSA-N 290.294 3.916 5 40 CHBB CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 14283197 PDHRJYUHPGPWSJ-UHFFFAOYSA-N 295.678 3.685 5 40 CHBB Cc1n[nH]c(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 4730495 ROMLEOUWSYLEIQ-UHFFFAOYSA-N 287.106 3.677 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCCCCCC1 15933863 MSDHQMGFSHFUJW-UHFFFAOYSA-N 291.351 3.829 5 40 CHBB CC(C)c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 226291428 YFQQCJMCOJGWKH-UHFFFAOYSA-N 269.300 3.949 5 40 CHBB Cc1ccc(C)c([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)c1 226293035 YRIOZKWLQMXCKN-MRXNPFEDSA-N 271.316 3.602 5 40 CHBB CCCN(CCC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2741946 SOMWQSYOZNTFMO-UHFFFAOYSA-N 284.743 3.510 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 59351107 DRSNTJQPSZSPNZ-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB Nc1nc(-c2ccccc2)cc2c1c(=O)oc1ccccc12 33724591 YLJAURGRENCAGL-UHFFFAOYSA-N 288.306 3.590 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1CC(F)(F)F 66323302 CALVOVXZHZYLOT-UHFFFAOYSA-N 273.132 3.718 5 40 CHBB O=C(O)c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 19845394 MVMJKMPQPHNZEF-UHFFFAOYSA-N 289.312 3.585 5 40 CHBB O=C(O[C@@H]1C=CCCCCC1)c1ccc([N+](=O)[O-])cc1 1711971 XDRNSOJKKJUDTM-CQSZACIVSA-N 275.304 3.641 5 40 CHBB Cc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 223973008 CCPGHQLLDPYAJD-UHFFFAOYSA-N 298.342 3.783 5 40 CHBB CC(=O)Nc1ccc(/C=C\c2ccccc2)c([N+](=O)[O-])c1 5378328 KFYVAPJUVZWSJA-FPLPWBNLSA-N 282.299 3.724 5 40 CHBB CCSc1nnc(Sc2ccccc2[N+](=O)[O-])s1 8200613 NCDMHLMAPZXAGM-UHFFFAOYSA-N 299.402 3.710 5 40 CHBB O=C1O[C@@H](c2ccccc2[N+](=O)[O-])Sc2ccccc21 5742667 ROLPYCOTQUIDNL-CQSZACIVSA-N 287.296 3.556 5 40 CHBB N[C@@H](CCCO)Cc1cc2ccccc2c2ccccc12 1699625 MEFNLVKYGCLFGH-INIZCTEOSA-N 279.383 3.635 5 40 CHBB C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccncc1 252485322 GRGDOJSPBYZPHP-LLVKDONJSA-N 294.314 3.711 5 40 CHBB C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 21328949 VZULFHHEPFPNIC-JTQLQIEISA-N 289.262 3.652 5 40 CHBB CCCC[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2 1741932 VBKDCCYHJRMCOJ-XOYHFGRZSA-N 278.441 3.588 5 40 CHBB CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1726340 KMYUHKCVKYYXKJ-NSCUHMNNSA-N 282.299 3.724 5 40 CHBB O=[N+]([O-])c1ccc(SNc2ccccc2)c([N+](=O)[O-])c1 1704261 LXXAVHSAUOQQLU-UHFFFAOYSA-N 291.288 3.622 5 40 CHBB Cc1oc(-c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)O 5034207 PNDOIOPVHSICMP-UHFFFAOYSA-N 281.651 3.515 5 40 CHBB C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4771232 WAIJUEWPVNPXKS-SECBINFHSA-N 297.742 3.655 5 40 CHBB CCc1ccccc1Nc1ncnc2ccc([N+](=O)[O-])cc12 12082666 NQYGVAVJEZISOT-UHFFFAOYSA-N 294.314 3.844 5 40 CHBB CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])cc1 3071621 XYLYSNQGXATQBX-LBPRGKRZSA-N 278.352 3.541 5 40 CHBB COc1cccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)c1 3344798 MXUILFQSBWQEFA-INIZCTEOSA-N 296.326 3.585 5 40 CHBB COc1ccc2sc3c(=O)[nH]c4ccccc4c3c2c1 8828916 PASIMSOPHTYWDR-UHFFFAOYSA-N 281.336 3.905 5 40 CHBB aggregator Cc1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc12 73639424 AYFUYMPCCLTIKY-UHFFFAOYSA-N 272.235 3.851 5 40 CHBB O=[N+]([O-])c1cccc(-c2csc(-c3cccnc3)n2)c1 171883 IIVZOUPWCCBTGK-UHFFFAOYSA-N 283.312 3.780 5 40 CHBB Cc1cc(C)cc(Nc2nc3sccn3c2[N+](=O)[O-])c1 8308953 SHWWEIPZJLCCSS-UHFFFAOYSA-N 288.332 3.664 5 40 CHBB Cc1ccccc1C(=O)Nc1c([N+](=O)[O-])ccc(C)c1C 6238081 BMWHQBMPVZMYKS-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c(Cl)c1 216925364 RJULUTRDWUAWEB-UHFFFAOYSA-N 289.678 3.639 5 40 CHBB O=C(O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4294423 RWFGIUMZZOAJRM-ZZXKWVIFSA-N 293.662 3.606 5 40 CHBB CC(=O)Oc1ccc(OC(C)=O)c2cc3ccccc3cc12 1686136 SARCGSJLIZFGFY-UHFFFAOYSA-N 294.306 3.844 5 40 CHBB Cc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1[N+](=O)[O-] 12921153 SCVAVFLEFYPICY-UHFFFAOYSA-N 290.363 3.554 5 40 CHBB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 37143056 RPLBGLXKNZXRDE-OAHLLOKOSA-N 271.320 3.799 5 40 CHBB COc1ccc2nc3cc(Cl)ccc3c(C(=O)O)c2c1 228973924 HXDYFDNVWAYRAE-UHFFFAOYSA-N 287.702 3.748 5 40 CHBB Cc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)oc12 41306664 ROKCGBQJZPOUGI-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB CC(C)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 1710480 YLFMDENLKPYPMN-UHFFFAOYSA-N 292.379 3.739 5 40 CHBB O=Cc1cc([N+](=O)[O-])ccc1SCc1ccccc1 12336660 COWMUQNZNYZPLS-UHFFFAOYSA-N 273.313 3.700 5 40 CHBB CC(C)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl 72273639 DRTMJMDMRYNCAD-LBPRGKRZSA-N 268.744 3.873 5 40 CHBB Cc1c(/C=C\[N+](=O)[O-])ccc2c1[nH]c1ccccc12 8617557 VLFJOKPMHZPJLY-HJWRWDBZSA-N 252.273 3.877 5 40 CHBB CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl 258645 QNXAMGZEABUAPL-SNVBAGLBSA-N 296.754 3.653 5 40 CHBB Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4491539 SYKICVZDFRUTGU-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CC(C)CSc1nc2ccc([N+](=O)[O-])cc2s1 59040669 GFRJOQXLNASTRR-UHFFFAOYSA-N 268.363 3.953 5 40 CHBB Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 13002102 IERCLGKQZRUHAO-UHFFFAOYSA-N 254.698 3.680 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 5793166 KZDTZTPNXYAAFS-NSHDSACASA-N 294.351 3.758 5 40 CHBB Cc1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 9581583 XYQYHIMSPSYGDT-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 59351108 NYWITFNYJUOQSZ-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB O=C1c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])cc1 169800170 ZUXQERFDPCBNEF-OAHLLOKOSA-N 267.284 3.508 5 40 CHBB COC(=O)c1cc2ccc3ccccc3c2cc1OC 1569664 CKPGGOFQVAPNFB-UHFFFAOYSA-N 266.296 3.788 5 40 CHBB Cc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 3479014 SEAJHXSQXIDIEX-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 2760911 JKJMPBDHRWVJJX-HNNXBMFYSA-N 298.342 3.784 5 40 CHBB C=COCn1c2ccccc2c2cc([N+](=O)[O-])ccc21 2296559 VHSIXGRTRUHBRT-UHFFFAOYSA-N 268.272 3.820 5 40 CHBB Cc1ccccc1COC(=O)c1c(C)cccc1[N+](=O)[O-] 22069195 VHNLOWTWTFTDOV-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB Cc1ccc(SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 67170 SFDYWEZHWWQUHM-UHFFFAOYSA-N 287.340 3.878 5 40 CHBB CCc1cc([N+](=O)[O-])cc(Cl)c1Br 226315074 BSHLTQVYBOMNBX-UHFFFAOYSA-N 264.506 3.573 5 40 CHBB Cc1ccc([C@H](C)NCc2ccccc2)cc1[N+](=O)[O-] 20086605 UVEDVCHBFAKQMH-ZDUSSCGKSA-N 270.332 3.754 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1SCc1ccccc1 5900583 UPOHGQZKDYWKTH-UHFFFAOYSA-N 289.312 3.585 5 40 CHBB CCCC[C@@H](CC)CNC(=O)c1cccc([N+](=O)[O-])c1 5597346 CYGCGKPZQVHKCK-GFCCVEGCSA-N 278.352 3.541 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(C(F)(F)F)c1Cl 66323186 HOXARLOFJWVUQH-UHFFFAOYSA-N 259.998 3.920 5 40 CHBB Cc1cnc2sc(-c3ccccc3[N+](=O)[O-])nc2c1 113334491 MXZFCMURCNWACR-UHFFFAOYSA-N 271.301 3.575 5 40 CHBB CCOC(=O)c1ccc2c(ccc3ccccc32)n1 1740408 UFLCXMQGTPZYLD-UHFFFAOYSA-N 251.285 3.565 5 40 CHBB Cc1ccc([C@@H](C)NCc2ccccc2)cc1[N+](=O)[O-] 20086603 UVEDVCHBFAKQMH-CYBMUJFWSA-N 270.332 3.754 5 40 CHBB Cc1cc2nc3c4ccccc4n(C)c3nc2cc1C 1557930 VMXMJGMFZPGGAC-UHFFFAOYSA-N 261.328 3.892 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 5793057 KXZNSWGEQJMVMF-LLVKDONJSA-N 294.351 3.758 5 40 CHBB C[C@H]1C[C@@H](C)CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 216766875 CSHJPWHAZDATNS-AOOOYVTPSA-N 268.744 3.731 5 40 CHBB Cc1ccc(-c2ncccc2C(F)(F)F)cc1[N+](=O)[O-] 71256285 CWFULXOJYMRMNX-UHFFFAOYSA-N 282.221 3.984 5 40 CHBB CC(=O)Nc1ccc(/C=C/c2ccccc2)c([N+](=O)[O-])c1 3844624 KFYVAPJUVZWSJA-BQYQJAHWSA-N 282.299 3.724 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1 21803282 SSBAABVBRAEDQM-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccccc3)oc2c1 226249788 VSSFWXRMNAJJOR-RMKNXTFCSA-N 266.256 3.906 5 40 CHBB Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)c1 5558575 LUJCQPHYCPOSPK-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=C1c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])cc1 169800172 ZUXQERFDPCBNEF-HNNXBMFYSA-N 267.284 3.508 5 40 CHBB CCOc1ccc2ccc(OCC)c(/C=C/[N+](=O)[O-])c2c1 563889 OGAGULJHSWGLMB-MDZDMXLPSA-N 287.315 3.885 5 40 CHBB C[C@H](Sc1ccncc1[N+](=O)[O-])c1cccs1 76018394 LWFZZWYGGNQYKL-QMMMGPOBSA-N 266.347 3.905 5 40 CHBB COC(=O)Cc1cc2ccccc2c2ccccc12 70462092 NYQQWZDHFSSXCJ-UHFFFAOYSA-N 250.297 3.709 5 40 CHBB O=[N+]([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 13405219 CLVIIRIMEIEKOQ-UPHRSURJSA-N 270.244 3.673 5 40 CHBB CN(c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2s1 59461230 PTTMWKIZGWICND-UHFFFAOYSA-N 285.328 3.972 5 40 CHBB CC(C)COc1c(C(=O)O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225284631 SFOIQKYGKFRLCK-UHFFFAOYSA-N 295.335 3.625 5 40 CHBB CCCCCCOC(=O)Nc1cc(OC)ccc1[N+](=O)[O-] 4714229 MAYIBVNJQWCBGF-UHFFFAOYSA-N 296.323 3.732 5 40 CHBB O=[N+]([O-])c1c(Cl)nc(Cl)nc1/C=C/c1ccccc1 67172369 WEBIHPBTGLTRQX-VOTSOKGWSA-N 296.113 3.862 5 40 CHBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 7792414 CEDKPSRKXSKBIW-INIZCTEOSA-N 298.342 3.784 5 40 CHBB Sc1nnc2c3ccccc3c3ccccc3c2n1 6243949 RLIWLPICMPQBAG-UHFFFAOYSA-N 263.325 3.620 5 40 CHBB C[C@H]1CCCCN1c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 45886547 SDOTXNNRNOPRJZ-QMMMGPOBSA-N 299.714 3.535 5 40 CHBB Cc1noc(/C=C/c2ccc(Cl)cc2)c1[N+](=O)[O-] 359529 MCFYXKRWSJKGFP-QPJJXVBHSA-N 264.668 3.715 5 40 CHBB Cc1c2ccccc2c([C@H](N)CC(=O)O)c2ccccc12 44215996 FICBVUPAVKOMSL-MRXNPFEDSA-N 279.339 3.776 5 40 CHBB Cc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 226293053 BGCDVSVQKMUEDL-MRXNPFEDSA-N 271.316 3.602 5 40 CHBB Cn1c(-c2ccccc2)c(C=O)c2cc([N+](=O)[O-])ccc21 3154150 QQXUDKUEBKECTK-UHFFFAOYSA-N 280.283 3.566 5 40 CHBB O=C(c1cccs1)c1cc([N+](=O)[O-])ccc1Cl 11691808 FZRGNMDXVWHWGO-UHFFFAOYSA-N 267.693 3.541 5 40 CHBB CN(Cc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cn1 22804734 YRPUATAOCWQEFZ-UHFFFAOYSA-N 299.374 3.924 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NCc1cccc(F)c1 24584729 DQUULBXYPGZMEH-UHFFFAOYSA-N 260.268 3.654 5 40 CHBB O=[N+]([O-])c1cccnc1Oc1ccccc1Br 19478502 JVSLQEZDQOOYLN-UHFFFAOYSA-N 295.092 3.545 5 40 CHBB CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 2743301 DDIZPDUUYARBTI-UHFFFAOYSA-N 284.315 3.570 5 40 CHBB CC(=O)Nc1ccccc1Sc1ccccc1[N+](=O)[O-] 269096 DRDKCJOVHARFHI-UHFFFAOYSA-N 288.328 3.704 5 40 CHBB O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 7438706 WAFZNGHFRACZCN-UHFFFAOYSA-N 291.690 3.640 5 40 CHBB CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])s1 5560227 ZWRZFPFIGAXBTC-UHFFFAOYSA-N 290.344 3.779 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 3851248 VLZRXYVIBPUHQD-UHFFFAOYSA-N 292.678 3.859 5 40 CHBB biogenic CC(C)(C)c1cc(Br)ccc1[N+](=O)[O-] 19801493 CMOVHEIILZUNOS-UHFFFAOYSA-N 258.115 3.655 5 40 CHBB O=[N+]([O-])c1c(Br)ccc2ccccc12 345429 SBABEHDRJFHMEU-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB O=C1O[C@H](c2ccccc2[N+](=O)[O-])Sc2ccccc21 1599619 ROLPYCOTQUIDNL-AWEZNQCLSA-N 287.296 3.556 5 40 CHBB Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 5109274 SVYHJZGGXYUNIX-GFCCVEGCSA-N 285.299 3.553 5 40 CHBB Cc1ccc2nc3c(oc4cc(O)ccc43)c(C(=O)O)c2c1 19793775 PZQFMSXVDDORNO-UHFFFAOYSA-N 293.278 3.846 5 40 CHBB Cc1cccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O)c1 1748110 QMLMIJKUDLZSBY-GDNBJRDFSA-N 283.283 3.528 5 40 CHBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 7792433 GOCNOSNDGZVGAP-INIZCTEOSA-N 298.342 3.784 5 40 CHBB Cc1ccc2oc(Cc3ccccc3[N+](=O)[O-])nc2c1 199796873 UJZHJNBMIFYNHU-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 5568809 CLCZDENGKVVDIT-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB c1ccc2c(c1)oc1cc3c(cc12)nnc1cccn13 5463135 VDGWOCSQIGJOMJ-UHFFFAOYSA-N 259.268 3.782 5 40 CHBB O=[N+]([O-])c1ccc(/C=C\c2ccccc2[N+](=O)[O-])cc1 13404242 FGCPLOGNRVKJNZ-YVMONPNESA-N 270.244 3.673 5 40 CHBB Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 6278704 LTHATDHOMHUYCM-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CCc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226291974 QJCMXSAEYSIZSL-INIZCTEOSA-N 271.316 3.547 5 40 CHBB CC1(C)CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 4990571 TYBFQAQYBSJYDV-CYBMUJFWSA-N 277.320 3.720 5 40 CHBB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 13950627 JVPDPAWDXPYARO-AOOOYVTPSA-N 296.754 3.651 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H](C)C1 43148783 HNUHBCFHESIMEW-CMPLNLGQSA-N 291.351 3.603 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(F)cc1OC(F)(F)Cl 95215504 DRPAFQQQZOLWCE-UHFFFAOYSA-N 275.997 3.555 5 40 CHBB Cc1c(O)c([N+](=O)[O-])cc2cc(Br)ccc12 36019034 LITXXICOVJZDSF-UHFFFAOYSA-N 282.093 3.525 5 40 CHBB O=[N+]([O-])c1ccc(CNCc2ccccc2)c(Cl)c1 49963070 FNMFPBCZXDYCQD-UHFFFAOYSA-N 276.723 3.538 5 40 CHBB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 13673372 TVPWHVNYVDLCDZ-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 168582 SQAVTBVSLRAJAT-UHFFFAOYSA-N 287.300 3.591 5 40 CHBB CC[N+](C)(CC)C[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1670718 PYMAKVSXXYVLJK-VQTJNVASSA-N 298.450 3.990 5 40 CHBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1712048 BBYJXKMKDGGATD-UHFFFAOYSA-N 290.300 3.963 5 40 CHBB O=[N+]([O-])c1ccccc1/C=C(/Cl)c1ccccn1 3845024 OCJISCREOHRMEA-PKNBQFBNSA-N 260.680 3.727 5 40 CHBB CC(=O)c1ccc(Nc2ccc(C)cc2)c([N+](=O)[O-])c1 8056128 ZQXSWSOWVIENQP-UHFFFAOYSA-N 270.288 3.849 5 40 CHBB Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] 311825 AVPDWEAFNPJESV-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cn1 49099851 KWBVEOLFKPHXDP-UHFFFAOYSA-N 264.668 3.744 5 40 CHBB CN(C)CC(=O)c1ccc2c(ccc3ccccc32)c1 1569668 MXHAGVMWRKWAPK-UHFFFAOYSA-N 263.340 3.737 5 40 CHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 3512268 JQJSZHMKNLXNQL-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB O=C(C/C(=C/c1ccccc1)[N+](=O)[O-])c1ccccc1 1664517 GBTCDZWFYRZWQU-PTNGSMBKSA-N 267.284 3.577 5 40 CHBB Oc1ncnc2nc3c4ccccc4c4ccccc4c3nc12 10040184 OFMRBACNFSNKCU-UHFFFAOYSA-N 298.305 3.585 5 40 CHBB CCc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 6359117 UUCRITOYWPOYHK-CMDGGOBGSA-N 258.277 3.624 5 40 CHBB O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cc1Cl 1719579 IYCATCVOBXQDBX-UHFFFAOYSA-N 277.663 3.613 5 40 CHBB O=[N+]([O-])c1ccccc1-c1nc2ccccc2s1 1665936 SFJCNIFMWRMVCX-UHFFFAOYSA-N 256.286 3.872 5 40 CHBB COc1ccc(OCc2cc(C)ccc2C)c([N+](=O)[O-])c1 5196095 FJXVKZSFFNDANR-UHFFFAOYSA-N 287.315 3.799 5 40 CHBB CC(C)c1n[nH]c(Sc2ccc([N+](=O)[O-])cc2Cl)n1 22420397 GZSORSKBBUPLCC-UHFFFAOYSA-N 298.755 3.641 5 40 CHBB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 5528079 JVPDPAWDXPYARO-NXEZZACHSA-N 296.754 3.651 5 40 CHBB c1ccc2nc3c(ccc4nc5ccccc5nc43)nc2c1 76495025 LHKBZFGMFKIGKJ-UHFFFAOYSA-N 282.306 3.879 5 40 CHBB Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] 43348189 BGNOLECQVKCMFZ-JQWIXIFHSA-N 291.351 3.603 5 40 CHBB CC(=O)O[C@@H](C)c1ccc(C(C)(C)C)cc1[N+](=O)[O-] 5515679 FXAFUHBEYFKJOA-VIFPVBQESA-N 265.309 3.516 5 40 CHBB CC(C)(C)c1cc(O)c([N+](=O)[O-])c(C(C)(C)C)c1 19801426 BXZHVNRCHYCYFC-UHFFFAOYSA-N 251.326 3.895 5 40 CHBB CCCCC(=O)Nc1c(C)cc([N+](=O)[O-])cc1CC 45888217 UVUUKMJRCMNDAC-UHFFFAOYSA-N 264.325 3.594 5 40 CHBB Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 59351106 DRSNTJQPSZSPNZ-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB COC(=O)Cc1c2ccccc2cc2ccccc12 39236684 WPZNJWMNOASEJB-UHFFFAOYSA-N 250.297 3.709 5 40 CHBB CCc1cc2c(oc3cc4ccccc4cc32)c(=O)[nH]1 16958501 DQIQNDMRJTXGMP-UHFFFAOYSA-N 263.296 3.990 5 40 CHBB COc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC[C@H]1C 45886407 JOXSQLSGMRMQGJ-SECBINFHSA-N 284.743 3.636 5 40 CHBB Cc1c(OCc2ccccc2)ccc([N+](=O)[O-])c1F 114121326 FKYGTZCBTMOXLJ-UHFFFAOYSA-N 261.252 3.621 5 40 CHBB Cc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 225642521 PBCSTKXTXUPQNU-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CSc1ccccc1N(C)Cc1ccc([N+](=O)[O-])cc1 72314374 IUCWLCOSSMWLOU-UHFFFAOYSA-N 288.372 3.953 5 40 CHBB Cc1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1C 24339998 GPYZRQRWWJUTIS-UHFFFAOYSA-N 289.316 3.713 5 40 CHBB O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1 54669770 PZBKBNLJEGNUAT-QGZVFWFLSA-N 282.343 3.932 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c(OC(Cl)(Cl)Cl)c1 95215618 UXQXGEYSHJFTBM-UHFFFAOYSA-N 290.917 3.955 5 40 CHBB O=C(Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 26896933 DPGQSDVRALKTNJ-UHFFFAOYSA-N 275.691 3.674 5 40 CHBB CC(=O)[C@@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 4747437 BBUVHASKUIIMSI-GFCCVEGCSA-N 296.322 3.611 5 40 CHBB biogenic Cc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 226293062 XHWYATKUAJZMHB-MRXNPFEDSA-N 271.316 3.602 5 40 CHBB O=[N+]([O-])c1ccccc1OCc1cc(F)cc2cccnc12 31606630 GIYGPEIPJCILCO-UHFFFAOYSA-N 298.273 3.861 5 40 CHBB COc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 226292196 YBLRKCSJFBXRMK-UHFFFAOYSA-N 299.326 3.958 5 40 CHBB Cc1cc(C)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 505728 JXDLZKAMSMDURD-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB Cc1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])c1 7465615 QTOMGMYIROOQSO-UHFFFAOYSA-N 284.271 3.623 5 40 CHBB O=[N+]([O-])c1cc(OC(F)(F)F)ccc1C(F)(F)F 95215668 GWVPHUHCTRNEGG-UHFFFAOYSA-N 275.104 3.512 5 40 CHBB CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 35084500 XQPNJEGARGZUKQ-JTQLQIEISA-N 259.309 3.599 5 40 CHBB O=[N+]([O-])c1cccc(Cl)c1NC1CCCCC1 45958941 XDTWIQCRMHNWGO-UHFFFAOYSA-N 254.717 3.993 5 40 CHBB Cc1ccccc1[C@@H](OCC[N+](C)(C)C)c1ccccc1 15020076 GZLMBWBTXFGQPS-IBGZPJMESA-N 284.423 3.807 5 40 CHBB in-vitro Cc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1C 12082679 ADHPDYODUVOAKM-UHFFFAOYSA-N 294.314 3.898 5 40 CHBB COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1 1671494 BKRSWPWDYDCQBD-UHFFFAOYSA-N 259.261 3.704 5 40 CHBB O=[N+]([O-])c1c(F)cccc1Nc1cccc(F)c1 4933956 DGBKEXCCMPDNNQ-UHFFFAOYSA-N 250.204 3.617 5 40 CHBB O=[N+]([O-])c1ccc2nn(Cc3ccc(Cl)cc3)cc2c1 3190335 QEUPKJQQMYJEED-UHFFFAOYSA-N 287.706 3.646 5 40 CHBB O=C(NCC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 6505430 LXFKUEBVUKFNMC-UHFFFAOYSA-N 296.754 3.558 5 40 CHBB Cc1ccc2c(C[C@H](CC(C)C)[N+](=O)[O-])c[nH]c2c1 344399 XXWKGANEANYFCL-ZDUSSCGKSA-N 260.337 3.710 5 40 CHBB O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl 5443389 ZQVWTLQBHSNDBD-UHFFFAOYSA-N 296.754 3.701 5 40 CHBB CC(C)SCCCCOc1ccccc1[N+](=O)[O-] 23115354 RLACMICGHZZLLB-UHFFFAOYSA-N 269.366 3.895 5 40 CHBB O=[N+]([O-])c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 12999181 QKNRQPCMOBTDIW-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 18152966 ROXUWEABPPHFEO-ZDUSSCGKSA-N 298.342 3.518 5 40 CHBB CCc1ccccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 18119031 HGNKAPGPIVVHDX-UHFFFAOYSA-N 288.278 3.549 5 40 CHBB Cc1cc2ccccc2n1Cc1ccccc1[N+](=O)[O-] 6613305 NZJZMZUPSVLZAA-UHFFFAOYSA-N 266.300 3.906 5 40 CHBB COc1ccc2c(c1)[nH]c(=O)c1sc3ccccc3c12 8665929 GPCQYADOLCARPD-UHFFFAOYSA-N 281.336 3.905 5 40 CHBB aggregator,in-vitro CC(=O)Nc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)c1 1749034 AOEKZAHHKBUEDT-AATRIKPKSA-N 282.299 3.724 5 40 CHBB Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 558005 OPFGISAZRXSKIS-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB CCCCS[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl 5553286 XCMAHNDEVIBXFQ-LURJTMIESA-N 280.604 3.535 5 40 CHBB CCCCCC(=O)OC[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12 408720380 MKVONESRFDICGW-SOLBZPMBSA-N 282.448 3.519 5 40 CHBB O=[N+]([O-])c1ccc(N2N=NC[C@@H]2c2ccccc2)cc1 17311023 PUWUPGKGBRTMOT-CQSZACIVSA-N 268.276 3.523 5 40 CHBB C[C@H](C[C@H]1OC[C@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C 4728532 NBLWOKORNFBCIG-IKGGRYGDSA-N 298.491 3.821 5 40 CHBB CC[N+](C)(CC)CCNC(c1ccccc1)c1ccccc1 5399857 DLAFBBDQKOFJPO-UHFFFAOYSA-N 297.466 3.852 5 40 CHBB O=C1CCCCCC[C@H]1Sc1ccccc1[N+](=O)[O-] 339725 DURJJDLFRHUNEU-CQSZACIVSA-N 279.361 3.979 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(O)c2c1 1389344 JJGJDUVYOHNLGL-UHFFFAOYSA-N 289.678 3.502 5 40 CHBB Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)cc1 40169743 VJVOGNRJGFXWRY-UHFFFAOYSA-N 294.314 3.664 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 40169846 ZBZLCLVWHXJPHL-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB COC(=O)c1cc2ccccc2c2c3c(ccc12)OCO3 1716372 IWENRJHTKYJGKC-UHFFFAOYSA-N 280.279 3.508 5 40 CHBB CCOC(=O)/C(=C\c1ccccc1)c1ccccc1[N+](=O)[O-] 13402397 XYVSFRAASFSRON-QINSGFPZSA-N 297.310 3.699 5 40 CHBB O=c1c2ccccc2c2sc3c4ccccc4c(=O)c3c12 1591005 WHBKMVPQXJNJLO-UHFFFAOYSA-N 288.327 3.957 5 40 CHBB CC(C)c1c2cn[nH]c2nc2c1oc1cc(O)ccc12 96221451 FOZHQKQMKNDSBT-UHFFFAOYSA-N 267.288 3.686 5 40 CHBB biogenic Cc1cc(/C=C/c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844999 XQAJYTCITIRXRG-BQYQJAHWSA-N 284.271 3.982 5 40 CHBB CCCCCNc1sc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-] 4073057 UFFIAUVBWUKQRD-UHFFFAOYSA-N 293.732 3.820 5 40 CHBB Cc1ccc([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])s1 89656309 SJMSRHJOCRLFAJ-SNVBAGLBSA-N 292.360 3.521 5 40 CHBB O=c1c2ccc([N+](=O)[O-])cc2oc2c(Cl)cccc12 95115635 PMGZZOMKWWAMKE-UHFFFAOYSA-N 275.647 3.508 5 40 CHBB Cc1cc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2[nH]1 31653503 QAKLUCZMXPXLJI-UHFFFAOYSA-N 268.276 3.523 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccccc1 54629 SDHSUONIAWKDSC-UHFFFAOYSA-N 287.344 3.712 5 40 CHBB COc1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 137026 XLWOOOCHEFQOQX-UHFFFAOYSA-N 296.282 3.925 5 40 CHBB CC[N+](C)(CC)CCC[C@H](C)[N+]1(C)C[C@H]2CCCC[C@H]2C1 1673491 LSEJDYDMALMADN-FCJLEINESA-N 296.543 3.908 5 40 CHBB O=[N+]([O-])c1cccc(CSc2ncnc3ccccc23)c1 3297209 GMTQJQWZSDYOLT-UHFFFAOYSA-N 297.339 3.830 5 40 CHBB O=[N+]([O-])c1ccc(Nc2ccc3ccccc3c2)nc1 4450089 ZQAWLQJRGOIICY-UHFFFAOYSA-N 265.272 3.887 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]ccc2c1 72281743 PTGKFIXYWZBZBO-UHFFFAOYSA-N 295.298 3.637 5 40 CHBB O=[N+]([O-])c1ccc(OCCCCOc2ccccc2)cc1 1748133 AVOSADBWMXBHGB-UHFFFAOYSA-N 287.315 3.833 5 40 CHBB Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1790904 LEYYVMMEUSYDHG-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB O=[N+]([O-])c1ccc2nc(Cc3ccc(Cl)cc3)oc2c1 42890204 ZKHPEMANFCGCCD-UHFFFAOYSA-N 288.690 3.980 5 40 CHBB CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C 1636923 OBTUCYODXRVVPK-UHFFFAOYSA-N 258.494 3.516 5 40 CHBB O=[N+]([O-])c1ccc([C@H]2CN=NN2c2ccccc2)cc1 2044975 GGCXLICRZZFDTF-CQSZACIVSA-N 268.276 3.523 5 40 CHBB Cc1ccc([C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)cc1 10443013 GIAZKJLUIZOGMK-LBPRGKRZSA-N 285.299 3.821 5 40 CHBB O=[N+]([O-])c1ccc(N2N=NC[C@H]2c2ccccc2)cc1 4705930 PUWUPGKGBRTMOT-AWEZNQCLSA-N 268.276 3.523 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 4070267 HDCJQJAZMSNAKT-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB Cc1c(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)n1O 6694209 KWXXIBXZHLCWOS-UHFFFAOYSA-N 295.298 3.671 5 40 CHBB CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 2736283 BUPHTPMBMBZTHR-ZDUSSCGKSA-N 292.379 3.849 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(N2CCCC2)c(Cl)c1 36559035 PPXHQMVXDFUPKV-UHFFFAOYSA-N 261.108 3.502 5 40 CHBB Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 3886769 YDUAABWRDNQOKM-UHFFFAOYSA-N 297.236 3.939 5 40 CHBB O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)cc1 3852571 LJLITCFNPFGHGI-UHFFFAOYSA-N 278.651 3.823 5 40 CHBB biogenic C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cncc(F)c1 96491803 VXBAALAJIYDSEC-GHMZBOCLSA-N 289.310 3.541 5 40 CHBB CC[C@H]1c2ccsc2CCN1c1ncccc1[N+](=O)[O-] 15140683 JLOGHZYLBIYCJQ-NSHDSACASA-N 289.360 3.565 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)O)o1 226314942 CTQYKACRGSJVSM-VMPITWQZSA-N 287.271 3.515 5 40 CHBB Cc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] 7889166 HOTYRQCJNCJNIW-UHFFFAOYSA-N 296.326 3.644 5 40 CHBB CC[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(OC)cc1 23057049 SWHBRTAMSLPHSS-ZDUSSCGKSA-N 287.319 3.562 5 40 CHBB CC1(C)[C@@]2(c3ccc([N+](=O)[O-])cc3)CC[C@@]1(C)C(=O)C2 225805310 FPJABZZCPUKZSM-HOTGVXAUSA-N 273.332 3.632 5 40 CHBB CCC1(C)CCN(c2c(C)cccc2[N+](=O)[O-])CC1 1772715062 QCZVDUDDMVEXLT-UHFFFAOYSA-N 262.353 3.920 5 40 CHBB Nc1cc2[nH]c(=O)c3cc(Cl)ccc3c2cc1Cl 8627889 HMNIKNJZNATMSI-UHFFFAOYSA-N 279.126 3.570 5 40 CHBB Cc1n[nH]c(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] 4059777 VSCYTVCSFORZFY-UHFFFAOYSA-N 287.106 3.677 5 40 CHBB O=[N+]([O-])c1ccc(OCCCC(F)(F)C(F)(F)F)cc1 98210984 QWMDNAOLVMZQSR-UHFFFAOYSA-N 299.195 3.951 5 40 CHBB O=[N+]([O-])c1ccc(Cn2ccc3ccccc32)cc1 6258196 RVPTXIBMGYNFNG-UHFFFAOYSA-N 252.273 3.598 5 40 CHBB O=[N+]([O-])c1cccc(-c2[nH]nc(C(F)(F)F)c2Cl)c1 12428903 NZPYUOOFRPFXJV-UHFFFAOYSA-N 291.616 3.657 5 40 CHBB O=[N+]([O-])c1cccnc1Sc1ccccc1Cl 481421 JUNZUXCIABTUPY-UHFFFAOYSA-N 266.709 3.794 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccsc1 8945614 KPYIDUMJJGCFJC-GORDUTHDSA-N 288.328 3.617 5 40 CHBB Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(N=O)n2c1 5479117 HJTMZGHBJMHHOP-UHFFFAOYSA-N 282.259 3.616 5 40 CHBB O=[N+]([O-])c1cccnc1NCc1ccc(Cl)c(Cl)c1 20444920 DBOAYXDBMRSEKK-UHFFFAOYSA-N 298.129 3.909 5 40 CHBB C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 24235922 NIXSHFYUQDPTJZ-QMMMGPOBSA-N 296.373 3.551 5 40 CHBB Cc1nn(CC2CCC(C)(C)CC2)c(C)c1[N+](=O)[O-] 95992772 YGGRRRXKXLBWRT-UHFFFAOYSA-N 265.357 3.625 5 40 CHBB Cc1cccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1 408968503 ZTWZZQWQMFVTKT-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 13673374 TVPWHVNYVDLCDZ-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] 484452 IVAKOAGFRMHMMM-UHFFFAOYSA-N 296.326 3.644 5 40 CHBB Cc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 40095680 QTBYULLKRBWAAS-GFCCVEGCSA-N 299.330 3.786 5 40 CHBB CC(C)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl 63859280 DRTMJMDMRYNCAD-GFCCVEGCSA-N 268.744 3.873 5 40 CHBB Cc1cc(C(=O)COc2cccc([N+](=O)[O-])c2)c(C)s1 7932712 PBPDGXSPIWRVKW-UHFFFAOYSA-N 291.328 3.535 5 40 CHBB Cc1c(NC(=O)CCc2ccsc2)cccc1[N+](=O)[O-] 9836346 HOGVQTPKKWQNCL-UHFFFAOYSA-N 290.344 3.536 5 40 CHBB COc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1 38955281 XRLDVGHOXQLHBO-UHFFFAOYSA-N 259.261 3.704 5 40 CHBB CCc1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc2c1=O 685938091 JMFBTCPGMWGKMV-UHFFFAOYSA-N 294.310 3.666 5 40 CHBB O=C(COc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 7342073 NTVMODHBGNBLNB-UHFFFAOYSA-N 291.690 3.510 5 40 CHBB CCc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 131108475 CXOCWJVWPRIIQF-UHFFFAOYSA-N 298.342 3.647 5 40 CHBB CC(=O)O[C@H](C)c1ccc(C(C)(C)C)cc1[N+](=O)[O-] 5532784 FXAFUHBEYFKJOA-SECBINFHSA-N 265.309 3.516 5 40 CHBB O=C(O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 118717 BQTVDXUJNBTHPV-UHFFFAOYSA-N 293.662 3.739 5 40 CHBB CN[C@@H](C)C(=O)c1ccc2ccc3ccccc3c2c1 1595051 AAFPLCVXDUSOSS-LBPRGKRZSA-N 263.340 3.784 5 40 CHBB OCCCNc1nc2ccc(Cl)cc2c2ccccc12 31719275 IUHANPFLWVLHOW-UHFFFAOYSA-N 286.762 3.836 5 40 CHBB Cc1noc(/C=C\c2c(C)[nH]c3ccccc23)c1[N+](=O)[O-] 408542599 KLGHOTTWEWNRSW-FPLPWBNLSA-N 283.287 3.851 5 40 CHBB Cc1c(N)cccc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 216926077 VAQLKPYPGRTCGG-UHFFFAOYSA-N 283.287 3.602 5 40 CHBB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 5597344 YLTINZGPEMNWJL-CYBMUJFWSA-N 292.379 3.849 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1 587955 TUGVCNAXKCBMIU-CSKARUKUSA-N 282.299 3.555 5 40 CHBB Cc1ccc(C)c([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)c1 226293028 YRIOZKWLQMXCKN-INIZCTEOSA-N 271.316 3.602 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c(CSC2=NCCS2)c1 172022639 JYHXKDJHEAKRRP-UHFFFAOYSA-N 288.781 3.584 5 40 CHBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 37143055 RPLBGLXKNZXRDE-HNNXBMFYSA-N 271.320 3.799 5 40 CHBB CCc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 8317340 HIRMBJZZCGRLTC-UHFFFAOYSA-N 288.332 3.610 5 40 CHBB CCN(C(=O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 84779614 OTRAAAHXMRYWRE-UHFFFAOYSA-N 298.342 3.581 5 40 CHBB O=[N+]([O-])c1ccc(N2CCC[C@H]2/C=C/c2ccccc2)nc1 95468386 RMKCGYANYAFVOM-HVHJFMEUSA-N 295.342 3.672 5 40 CHBB O=[N+]([O-])c1ccc(NC2CCCCC2)c2ccncc12 15174181 AJBBPTZEJNCUPP-UHFFFAOYSA-N 271.320 3.888 5 40 CHBB Cc1c([C@H](C)NCc2ccsc2)cccc1[N+](=O)[O-] 89540480 FUQCNCDHLURYOX-NSHDSACASA-N 276.361 3.816 5 40 CHBB C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 4713252 KMYZJLUTDKTVNI-SECBINFHSA-N 288.269 3.850 5 40 CHBB C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl 45885787 GJWNFYLSGIHTKO-VIFPVBQESA-N 254.717 3.627 5 40 CHBB Cc1noc(/C=C\c2ccccc2Cl)c1[N+](=O)[O-] 205468580 ADBCPXDIFCQROV-SREVYHEPSA-N 264.668 3.715 5 40 CHBB O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc(C2CC2)o1 9499319 RDORVNPWMYTMQF-UHFFFAOYSA-N 297.723 3.660 5 40 CHBB Cc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1N 216926113 VCWFZWOSOYWYIK-UHFFFAOYSA-N 283.287 3.602 5 40 CHBB C[C@@H]1Cc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc2O1 10299652 HDNLCGFXLDNZDY-LLVKDONJSA-N 284.315 3.530 5 40 CHBB Cc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1 13598476 HQXKRVJSXVJHII-UHFFFAOYSA-N 294.310 3.720 5 40 CHBB CC(C)(C)N(C(=O)O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 675082758 FRRHFOGXCAMACQ-UHFFFAOYSA-N 290.678 3.670 5 40 CHBB C[C@H]1CC[C@H](C)N1c1ccc(Br)cc1[N+](=O)[O-] 84689519 LSDRUSWNMGWFJC-IUCAKERBSA-N 299.168 3.735 5 40 CHBB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 100569336 CTLJQORROKNSCN-AOOOYVTPSA-N 296.754 3.651 5 40 CHBB CC[N+](CC)(CC)Cc1cc(Cl)nc(Cl)c1 163058 ZBDGITDXBPDVDV-UHFFFAOYSA-N 262.204 3.765 5 40 CHBB C[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 6487233 GOCRLFMTAKAANF-LBPRGKRZSA-N 291.347 3.968 5 40 CHBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 22806576 SUSZHVREWIWFMO-SECBINFHSA-N 277.711 3.816 5 40 CHBB CC1(C)[C@@H]2CC[C@]1(C)c1nc3ccc([N+](=O)[O-])cc3nc12 100749300 TXGIVGINCWKAMP-QLJPJBMISA-N 283.331 3.713 5 40 CHBB O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl 128564 PNLAPVODXCSKRH-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB Cc1c2cc[n+]([O-])cc2c(C)c2c1[nH]c1ccccc12 1762401 JLMKYEURVHJLGD-UHFFFAOYSA-N 262.312 3.725 5 40 CHBB C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 58140753 WLZIPPOQQSTNSL-OIOXUXFSSA-N 282.343 3.959 5 40 CHBB Cc1csc(CNc2ccc([N+](=O)[O-])cc2Cl)n1 9315310 RUUDFATZBKZZAF-UHFFFAOYSA-N 283.740 3.625 5 40 CHBB O=[N+]([O-])/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 59426445 MOXPITYGBQOQCI-AATRIKPKSA-N 294.650 3.756 5 40 CHBB O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl 260665 IVPCJXSMGVZNMK-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB CCNC(=O)OCCc1c2ccccc2nc2ccccc12 5011421 KSKLOHKHPKCQGV-UHFFFAOYSA-N 294.354 3.677 5 40 CHBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2S1 62381 BFJWEJHPELWPGR-CQSZACIVSA-N 272.329 3.985 5 40 CHBB CC[N+](C)(CC)C[C@H](c1ccccc1)[C@H](O)c1ccccc1 1670719 PYMAKVSXXYVLJK-WOJBJXKFSA-N 298.450 3.990 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCCCC1 40095753 FOXHRWZKSDJKAO-UHFFFAOYSA-N 291.351 3.700 5 40 CHBB Cc1ccccc1C[N+](C)(C)CCC(=O)c1ccccc1 28263 CIINAIBTGLLEDF-UHFFFAOYSA-N 282.407 3.844 5 40 CHBB Cc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 226293264 PALVWMZOCPJIEW-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB Cc1ccccc1[C@H](OCC[N+](C)(C)C)c1ccccc1 2562311 GZLMBWBTXFGQPS-LJQANCHMSA-N 284.423 3.807 5 40 CHBB in-vitro CCCC[C@@H](CC)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 2736282 BUPHTPMBMBZTHR-CYBMUJFWSA-N 292.379 3.849 5 40 CHBB O=[N+]([O-])c1ccc(N2CCCCC2)c(C(F)(F)F)c1 4347697 YPFCWXIQCPKLRC-UHFFFAOYSA-N 274.242 3.604 5 40 CHBB Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2C)c1 6522149 LZKPBVCZCDIJCG-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=[N+]([O-])c1c[nH]nc1-c1cccc(Oc2ccccc2)c1 96527468 SKOLGDYUGUPBQN-UHFFFAOYSA-N 281.271 3.777 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CCC=CCC[C@@H]12 18045624 PTVHKBNXYKHEEV-YIONKMFJSA-N 286.331 3.526 5 40 CHBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 4859525 XWRHEBCJNDJWBE-UHFFFAOYSA-N 296.282 3.753 5 40 CHBB CC(=O)c1ccc(Sc2nc(C)c(C)o2)c([N+](=O)[O-])c1 12810797 LLMVWXFVHHYXBZ-UHFFFAOYSA-N 292.316 3.553 5 40 CHBB Cc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 4113852 PDSPDJCCUKPKTC-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB C/C(=C\C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 98042651 MXQBZIWYDRFABN-PBQZMEPESA-N 275.304 3.555 5 40 CHBB CCc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc2c1=O 685938127 KELCLKVBYQBCMH-UHFFFAOYSA-N 294.310 3.666 5 40 CHBB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 13675667 ONXVNIHCVAXBIV-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB O=[N+]([O-])c1ccc2sc3ccc([N+](=O)[O-])cc3c2c1 2173299 VMQHOWOVMXIROE-UHFFFAOYSA-N 274.257 3.871 5 40 CHBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(Cl)c1 15172060 CJXDMQWLRHYHOE-SECBINFHSA-N 277.711 3.816 5 40 CHBB COc1cc2c(cc1[N+](=O)[O-])sc1ccccc12 165991053 CKGTWAKTBVAXHH-UHFFFAOYSA-N 259.286 3.971 5 40 CHBB CC(C)O[C@]1(c2ccc([N+](=O)[O-])cc2)COc2ccccc21 35290 XBWXSCOCQPYNSE-KRWDZBQOSA-N 299.326 3.656 5 40 CHBB CC(C)c1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 226292698 QDSCZDPWIMNQLH-INIZCTEOSA-N 271.316 3.800 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 5713516 AHIJOWQNWBKSLX-NSHDSACASA-N 264.325 3.750 5 40 CHBB Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])n1 92851 NSPOKDRNMYFJBE-UHFFFAOYSA-N 296.685 3.670 5 40 CHBB CSc1cc2c(cc1[N+](=O)[O-])C(=O)c1cc(F)ccc1-2 1701577 OYWGYDXWMIMSAO-UHFFFAOYSA-N 289.287 3.667 5 40 CHBB Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])s1 3328559 LLWZXQIDNXFYKF-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB Cc1ccc(NC(=O)c2ccc(F)cc2C)c([N+](=O)[O-])c1 157712333 GJEXSKNXIXLGEC-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1 6796551 IPLYJDIQRXCFNX-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB C[N+]1(CCC(=O)c2ccccc2)CC[C@H]2CC[C@@H](C2)C1 100132835 CRFHUZSZRWPLEA-IEAUQHRDSA-N 272.412 3.526 5 40 CHBB in-vitro CC[N+](C)(CC)CCCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 1688966 PIKSGYKVZXNGNR-QZTJIDSGSA-N 282.516 3.520 5 40 CHBB O=[N+]([O-])c1ccc(COc2cccc3cccnc23)cc1 316020 JGDBDRRKKSGUJT-UHFFFAOYSA-N 280.283 3.722 5 40 CHBB Cc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 8907436 UYKVAGHCGJLPJF-UHFFFAOYSA-N 298.342 3.783 5 40 CHBB COc1ccccc1Oc1ccc([N+](=O)[O-])c2cnccc12 3444946 XPWBMZZICURJBU-UHFFFAOYSA-N 296.282 3.944 5 40 CHBB Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)cc1C 226291641 MTRKGUSUJRUKRR-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Br 226316763 YFNGZAAQSPRILG-VIFPVBQESA-N 299.168 3.736 5 40 CHBB C[C@H](CNc1ccc([N+](=O)[O-])s1)N(C)c1ccccc1 48999748 OJZLPRNNYQKJNR-LLVKDONJSA-N 291.376 3.593 5 40 CHBB O=[N+]([O-])c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 4082413 JIQGDZIFVHNNPF-UHFFFAOYSA-N 291.307 3.805 5 40 CHBB CCN(c1ccccc1)c1ccc(C=O)cc1[N+](=O)[O-] 20303924 VYTNZJKHZJHRFW-UHFFFAOYSA-N 270.288 3.565 5 40 CHBB CCn1c2ccc(C=O)cc2c2cc([N+](=O)[O-])ccc21 1580357 ZQZAFRRKMPNTJQ-UHFFFAOYSA-N 268.272 3.535 5 40 CHBB O=[N+]([O-])c1ccc2scc(Br)c2c1 15043122 GGRNMFMKEKDBNE-UHFFFAOYSA-N 258.096 3.572 5 40 CHBB CC[N+](C)(CC)CCCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 1688967 PIKSGYKVZXNGNR-ROUUACIJSA-N 282.516 3.520 5 40 CHBB Cc1noc(/C=C/c2ccccc2OC(C)C)c1[N+](=O)[O-] 408544724 XDNMRZKBVJSYGE-CMDGGOBGSA-N 288.303 3.849 5 40 CHBB CC(C)CSc1ccc([N+](=O)[O-])c2cccnc12 96300717 VOSKQXMKAPDMKY-UHFFFAOYSA-N 262.334 3.891 5 40 CHBB O=[N+]([O-])c1ccc2nc(/C=C/c3cccnc3)sc2c1 7587135 SMJYMDYATHWSSK-ZZXKWVIFSA-N 283.312 3.770 5 40 CHBB O=C(O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4294424 HJYSVJANLULBOJ-ZZXKWVIFSA-N 293.662 3.606 5 40 CHBB O=[N+]([O-])c1ccc(OCc2cc(F)cc3cccnc23)cc1 31606605 WRMNGUQWGDYMEF-UHFFFAOYSA-N 298.273 3.861 5 40 CHBB O=[N+]([O-])c1ccc(-c2cc(-c3cccs3)no2)cc1 1446616 JIRDVSYGAZUYKT-UHFFFAOYSA-N 272.285 3.978 5 40 CHBB Cc1cc([N+](=O)[O-])cc2nc(Cc3ccccc3)oc12 73639279 MVXGQPRVVLDHJX-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB O=[N+]([O-])/C=C/c1cccn1-c1ccc2ccccc2c1 560221 HTMLZRSIEGRNLI-PKNBQFBNSA-N 264.284 3.878 5 40 CHBB CC(=O)Nc1c(N)c2ccccc2c2ccccc12 1569689 PKSJWCONJZOEEL-UHFFFAOYSA-N 250.301 3.534 5 40 CHBB O=[N+]([O-])c1cnc2cc(C(F)(F)F)ccc2c1Cl 95221098 FBXDITKJZYEHCP-UHFFFAOYSA-N 276.601 3.815 5 40 CHBB O=[N+]([O-])c1cc(NCc2ccco2)ccc1C(F)(F)F 59462034 OUYMBZYVRFOWBV-UHFFFAOYSA-N 286.209 3.819 5 40 CHBB O=[N+]([O-])c1ccccc1OCCCC(F)(F)C(F)(F)F 1565673184 VULWOBHLQJSSBB-UHFFFAOYSA-N 299.195 3.951 5 40 CHBB Cc1ccc(C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3318509 FCOKRWSBPIYQPK-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB CCc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293246 YGMKHIOICSGPAU-UHFFFAOYSA-N 269.300 3.697 5 40 CHBB Cc1c(NC(=S)NC2CCCCC2)cccc1[N+](=O)[O-] 6329669 MZXAQIDKTXGMBR-UHFFFAOYSA-N 293.392 3.522 5 40 CHBB C[C@]12Cc3ccc4ccccc4c3C=C1C[N+](C)(C)C2 2294937 PFWGFPCEUUDSDE-LJQANCHMSA-N 264.392 3.876 5 40 CHBB COc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3o2)cc1 226249811 IXVMGJJRPUDIOL-RUDMXATFSA-N 296.282 3.915 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC(F)F 95215542 PWAUUZKJZCFZKC-UHFFFAOYSA-N 258.007 3.503 5 40 CHBB CC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 3845368 XXJFLWDTZBZYGE-UHFFFAOYSA-N 285.303 3.605 5 40 CHBB biogenic C[C@@H](C[C@H]1OC[C@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C 4728530 NBLWOKORNFBCIG-ULQDDVLXSA-N 298.491 3.821 5 40 CHBB Cc1ccc(Cn2cnc3c([N+](=O)[O-])c(C)c(C)cc32)cc1 4051904 KPGAHIHBXKYXEP-UHFFFAOYSA-N 295.342 3.918 5 40 CHBB Cc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 226293046 BGCDVSVQKMUEDL-INIZCTEOSA-N 271.316 3.602 5 40 CHBB O=[N+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)n[nH]2)cc1 6493902 FHXOKNGNJIYOOH-UHFFFAOYSA-N 283.262 3.791 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)s1 15411049 JAHNHRQOYLMDCW-UHFFFAOYSA-N 296.735 3.870 5 40 CHBB CC(C)[C@@H](C)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 84409898 UYLVHNMFMAJUSD-GFCCVEGCSA-N 262.353 3.604 5 40 CHBB CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 9994291 NNIFIQSXHXCVTD-UHFFFAOYSA-N 294.357 3.631 5 40 CHBB O=[N+]([O-])c1c(OC(F)(F)F)cccc1C(F)(F)F 95215487 MBTJCRZJHIKZOO-UHFFFAOYSA-N 275.104 3.512 5 40 CHBB Cc1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 13941660 CJUISHVCMPVJTF-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB C[n+]1c(/C=C\c2ccc([N+](=O)[O-])cc2)ccc2ccccc21 17145614 YKPNKOHUGJBFEJ-POHAHGRESA-N 291.330 3.743 5 40 CHBB Cc1cc([C@H]2CCCN2c2sc([N+](=O)[O-])cc2C)no1 65488127 IOGPBUCGNRMHCP-LLVKDONJSA-N 293.348 3.603 5 40 CHBB Cc1onc(/C=C/c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] 22143046 PFVIKGAMBAHLFO-QPJJXVBHSA-N 296.229 3.663 5 40 CHBB CCN(c1ccc([N+](=O)[O-])cc1F)C1CCCC1 71811093 LRLFIDFZTDYWCE-UHFFFAOYSA-N 252.289 3.503 5 40 CHBB CCCOc1ccccc1CNc1cccc([N+](=O)[O-])c1 408557039 LSUWCYJBKWXYEC-UHFFFAOYSA-N 286.331 3.996 5 40 CHBB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 4078798 PAPXKRBBIRBYGN-SOFGYWHQSA-N 288.328 3.617 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)cc(F)c1Br 169801767 OCMOGJKAPFDQBV-UHFFFAOYSA-N 287.994 3.515 5 40 CHBB Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 60250 ITTDNNMGQZVXIE-DHZHZOJOSA-N 282.299 3.555 5 40 CHBB O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H]1c1ccccc1 44416519 RINDMNJRVBMIDW-GXTWGEPZSA-N 254.289 3.563 5 40 CHBB CC(C)CNCc1cccc2nc3ccccc3nc12 85390683 ATMIKZIBXMMXKF-UHFFFAOYSA-N 265.360 3.529 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N1[C@@H](C)CCC[C@@H]1C 226315542 RJPGNOPPNMMATQ-RYUDHWBXSA-N 262.353 3.925 5 40 CHBB O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 1711045 JPSNXDSHDVJVAB-UHFFFAOYSA-N 294.650 3.949 5 40 CHBB Cc1nc(CSc2ccc([N+](=O)[O-])cc2)cs1 78555826 OPJIMFSPQJRJPI-UHFFFAOYSA-N 266.347 3.652 5 40 CHBB O=[N+]([O-])c1ccc2nc(Cl)cc(C(F)F)c2c1 225758720 ZUFIECPKGZNTEE-UHFFFAOYSA-N 258.611 3.734 5 40 CHBB O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccccc4c3C2)s1 40155613 POLYGDYEFJUMHX-UHFFFAOYSA-N 299.355 3.700 5 40 CHBB Cc1ccc(SC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1711645 UFRUKQSJEMGSFL-UHFFFAOYSA-N 287.340 3.765 5 40 CHBB O=[N+]([O-])c1ccccc1/C=C\c1ccccc1[N+](=O)[O-] 13403050 RXUWVHYGEJQYBF-KTKRTIGZSA-N 270.244 3.673 5 40 CHBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1[N+](=O)[O-] 20134501 HDYHOORWAGSENC-UHFFFAOYSA-N 281.267 3.677 5 40 CHBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2S1 62382 BFJWEJHPELWPGR-AWEZNQCLSA-N 272.329 3.985 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100676338 YAHPQVICYROYKA-FXPVBKGRSA-N 294.738 3.623 5 40 CHBB CC(C)c1n[nH]c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1 12688494 RGTZWXKHHQRYFP-SECBINFHSA-N 292.364 3.690 5 40 CHBB Cc1cc(NC(=S)NC2CCCCC2)ccc1[N+](=O)[O-] 408548949 OAEACGSAKXGJBX-UHFFFAOYSA-N 293.392 3.522 5 40 CHBB O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1Cl 513653 XSEREODEVRPJGD-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB O=[N+]([O-])c1ccccc1/C=C/c1ccccc1[N+](=O)[O-] 1665751 RXUWVHYGEJQYBF-MDZDMXLPSA-N 270.244 3.673 5 40 CHBB CCC[C@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1CC 4706177 YXYUHCQYBBQVNQ-DFBGVHRSSA-N 279.336 3.835 5 40 CHBB Cc1ccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)cc1 102506297 KPDVRHACEBWLQS-SAPNQHFASA-N 296.282 3.587 5 40 CHBB CC(C)CNc1nc(-c2ccccc2[N+](=O)[O-])cs1 61714656 SSEWRFJGOPVGRG-UHFFFAOYSA-N 277.349 3.786 5 40 CHBB in-vitro Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(Cl)c1 3325476 NQHXANAPSJRTLA-UHFFFAOYSA-N 294.694 3.710 5 40 CHBB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 13675666 ONXVNIHCVAXBIV-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 2389551 OELFHUHQZUESIQ-UHFFFAOYSA-N 267.693 3.541 5 40 CHBB in-vitro CCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 40423465 DCOWQOCINPSFHS-UHFFFAOYSA-N 268.272 3.965 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 44880358 VEABQIDSQTYUDT-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB Cc1ccc(C)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 3478945 QMBRFXNEIMCKQF-JXMROGBWSA-N 296.326 3.864 5 40 CHBB O=[N+]([O-])c1ccc(COc2cccc(F)c2)c(Cl)c1 4243141 NOJWWHJNKQRLMB-UHFFFAOYSA-N 281.670 3.966 5 40 CHBB CCOC(=O)c1ccnc2ccc3ccccc3c12 1581062 KVDXURNUUHJAEK-UHFFFAOYSA-N 251.285 3.565 5 40 CHBB O=[N+]([O-])c1ccc(OCc2coc(-c3ccccc3)n2)cc1 32958260 ODRYWQKVJARTGH-UHFFFAOYSA-N 296.282 3.829 5 40 CHBB O=C(Nc1ccc(F)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 3538410 RTGCCQMZYSNNKN-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1cccc([N+](=O)[O-])c1 5591132 HQIDDGNIYFVEFO-NSHDSACASA-N 264.325 3.750 5 40 CHBB CN[C@H](C)C(=O)c1ccc2ccc3ccccc3c2c1 6491539 AAFPLCVXDUSOSS-GFCCVEGCSA-N 263.340 3.784 5 40 CHBB O=[N+]([O-])c1ccc(NCCCNc2ccccc2)c(F)c1 57265473 TXDWBWPPHQFCPN-UHFFFAOYSA-N 289.310 3.648 5 40 CHBB CSc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 7186793 LBOUNDRSVHYUMH-UHFFFAOYSA-N 262.290 3.504 5 40 CHBB CC1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 32913375 UJLUDGXZUQODIC-UHFFFAOYSA-N 252.289 3.725 5 40 CHBB Cc1ccc(C)c(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])c1 1833541 XOSVEWMBEWFHTH-NXVVXOECSA-N 295.294 3.576 5 40 CHBB CCC[C@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@@H]1CC 4706179 YXYUHCQYBBQVNQ-GLQYFDAESA-N 279.336 3.835 5 40 CHBB C=Cc1c2ncn3c4ccccc4nc3c2c2ccccn12 32603865 VMZHIFGMYGNORP-UHFFFAOYSA-N 284.322 3.931 5 40 CHBB Cc1cc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 6626837 BFTYIWXOVUZXNW-UHFFFAOYSA-N 266.300 3.906 5 40 CHBB Cc1ccc(OC/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1556305 NBMUCFFOPVZPBW-NSCUHMNNSA-N 269.300 3.995 5 40 CHBB CCn1c2ccc([N+](=O)[O-])cc2c2cccc([N+](=O)[O-])c21 2054114 VEAFAIZXOAGXQH-UHFFFAOYSA-N 285.259 3.631 5 40 CHBB C[C@@H](NCc1cccc(N(C)C)c1)c1ccc([N+](=O)[O-])cc1 95421841 YRQGGIGJYQGLEE-CYBMUJFWSA-N 299.374 3.512 5 40 CHBB O=[N+]([O-])c1ccc(-n2ccc(-c3ccccc3)n2)c(F)c1 685936782 YGLVTDKZDLFKEZ-UHFFFAOYSA-N 283.262 3.587 5 40 CHBB Cc1cc(C)c(Nc2ccc([N+](=O)[O-])ccc2=O)c(C)c1 4903597 MQKOBPHBTFNDML-UHFFFAOYSA-N 284.315 3.624 5 40 CHBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 7792436 GOCNOSNDGZVGAP-MRXNPFEDSA-N 298.342 3.784 5 40 CHBB Cc1cc(C)[n+]2c(n1)sc1c3ccccc3ccc12 495542 CKFWZDUKQPZGHP-UHFFFAOYSA-N 265.361 3.805 5 40 CHBB O=C(Oc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 12856176 GAHGKUSKSHGJOU-UHFFFAOYSA-N 283.239 3.560 5 40 CHBB Cc1ccc(F)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 6388726 YSYMZNLEBSZFOI-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB C[C@H]1C[C@H](C)CN(c2c(Cl)cccc2[N+](=O)[O-])C1 216767072 ZYXYEMCNDFVPIG-UWVGGRQHSA-N 268.744 3.731 5 40 CHBB Cc1cc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 6964450 NRJQKZZFOCYRJE-UHFFFAOYSA-N 266.300 3.906 5 40 CHBB COc1ccc(N2N=NC[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2044974 MTYADIBQOVOGIZ-OAHLLOKOSA-N 298.302 3.532 5 40 CHBB C[C@H](Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1 48289898 MWYUGJJHHPCNBX-SNVBAGLBSA-N 291.738 3.686 5 40 CHBB Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] 43348191 BGNOLECQVKCMFZ-ZYHUDNBSSA-N 291.351 3.603 5 40 CHBB Cc1cccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)c1 5181872 QMLMIJKUDLZSBY-XNTDXEJSSA-N 283.283 3.528 5 40 CHBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 60645104 KJPBSPQCOVEEDD-UHFFFAOYSA-N 273.313 3.949 5 40 CHBB O=[N+]([O-])c1ccc2nc(C(F)(F)F)cc(Cl)c2c1 1717146 ICRCGXMUOYVHEJ-UHFFFAOYSA-N 276.601 3.815 5 40 CHBB Cc1cc(=O)oc2c(C)c3oc4ccncc4c3cc12 13213430 YWXGDOQABNQKHC-UHFFFAOYSA-N 265.268 3.704 5 40 CHBB C[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 1710467 GOCRLFMTAKAANF-GFCCVEGCSA-N 291.347 3.968 5 40 CHBB Cc1nc(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)no1 26227210 JAVPKUSJZSZIJC-UHFFFAOYSA-N 297.270 3.746 5 40 CHBB CC(C)c1n[nH]c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 12688489 RGTZWXKHHQRYFP-VIFPVBQESA-N 292.364 3.690 5 40 CHBB O=[N+]([O-])c1cc2ccccc2cc1Br 14628805 KRQFZBUWIOZDMP-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB CCCNCCCc1cccc2nc3ccccc3nc12 85390671 KBQBSOQWOHKTRK-UHFFFAOYSA-N 279.387 3.715 5 40 CHBB CCC(=O)Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 52339052 CYMQLXHGVFAYAZ-UHFFFAOYSA-N 285.303 3.687 5 40 CHBB CCc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 131142191 OTJGTKWOJWLIPO-UHFFFAOYSA-N 298.342 3.647 5 40 CHBB C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 226316745 ZVTNZKZGWFWTDR-VIFPVBQESA-N 299.168 3.594 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC/C=C/CC[C@H]12 31905998 RFBTVNSAFANRSG-FAVCQXFFSA-N 286.331 3.526 5 40 CHBB C[C@@H]1C[C@@H](C)CN(c2c(Cl)cccc2[N+](=O)[O-])C1 216766979 ZYXYEMCNDFVPIG-NXEZZACHSA-N 268.744 3.731 5 40 CHBB CCC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1724356 GCZZFCBQHKPZMR-UHFFFAOYSA-N 282.299 3.515 5 40 CHBB CCc1ccccc1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 5158523 WPDYCRNXKFGAJP-UHFFFAOYSA-N 286.287 3.599 5 40 CHBB Brc1ccnc2c1ccc1cccnc12 36374186 WITRVHHXXZEEPD-UHFFFAOYSA-N 259.106 3.546 5 40 CHBB CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1C(=O)O 74941181 QVQOEGINDWEFLO-UHFFFAOYSA-N 279.336 3.888 5 40 CHBB CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 311467 OMIHZSKVGYGREB-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB COc1ccc([C@@H]2CN=NN2c2ccc([N+](=O)[O-])cc2)cc1 4705931 YFZYZBIXDMLKTO-HNNXBMFYSA-N 298.302 3.532 5 40 CHBB O=[N+]([O-])c1cccc(/C=C\COc2ccccc2)c1 4900521 GVCVNXUHAOHCLP-ALCCZGGFSA-N 255.273 3.687 5 40 CHBB Cc1ccc(F)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 9218750 JORFZMUYVZAMSP-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 44880355 VEABQIDSQTYUDT-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 40072709 JYLFZZYVSPKTPB-UHFFFAOYSA-N 295.298 3.637 5 40 CHBB O=[N+]([O-])C[C@H](c1ccc(F)cc1)c1c[nH]c2ccccc12 2327994 DELUHBXUBDRTAX-OAHLLOKOSA-N 284.290 3.716 5 40 CHBB Cc1ccc(SCCNc2ccc([N+](=O)[O-])cn2)cc1 32743500 CALJMVSEOSFOIK-UHFFFAOYSA-N 289.360 3.502 5 40 CHBB Cn1c2ccccc2c2cc[n+]3cc4c(cc3c21)CCCC4 4774799 UJQOGTHAIFLQFL-UHFFFAOYSA-N 287.386 3.949 5 40 CHBB O=C(O)CSc1nc2ccccc2c2ccccc12 16525562 YTIDJQGIKHLWJB-UHFFFAOYSA-N 269.325 3.565 5 40 CHBB Cc1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1C 16903838 SPODXFKBZKQZNN-UHFFFAOYSA-N 297.314 3.667 5 40 CHBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 73639484 MFQKCYJEIOVZED-UHFFFAOYSA-N 284.271 3.720 5 40 CHBB CC1=C(C)C[C@@H](C(Cl)(Cl)Cl)[C@H]([N+](=O)[O-])C1 1727208 KAAJPPVVQNWGJG-HTQZYQBOSA-N 272.559 3.748 5 40 CHBB O=C(COc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 7342096 WJWMTMCBCQKVLH-UHFFFAOYSA-N 291.690 3.510 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)OC1CCCCC1 5257014 YDQINHLNHRSBNQ-UHFFFAOYSA-N 278.308 3.784 5 40 CHBB C/C=C/c1ccc(Oc2ncccc2[N+](=O)[O-])c(OC)c1 9156194 QPVOYWIDKUQHMW-HWKANZROSA-N 286.287 3.824 5 40 CHBB O=[N+]([O-])c1ccccc1CNCc1ccc(Cl)cc1 19797574 RQKFXHMOMSNFEL-UHFFFAOYSA-N 276.723 3.538 5 40 CHBB Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCCC1 226755693 OZJLUMWPBVNYMX-UHFFFAOYSA-N 254.717 3.911 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 4151106 CVTNPYYWMAHISD-UHFFFAOYSA-N 276.679 3.501 5 40 CHBB Cc1ccc(F)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5688185 LXTZXFHOLKVTAE-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB O=[N+]([O-])c1ccccc1OCc1ccccc1Cl 215979541 AMGGGBVRATWUOA-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c(=O)c1C(C)C 685938226 LXXDYMWZONALTD-UHFFFAOYSA-N 274.320 3.683 5 40 CHBB Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 579814 SLCFQZFVOGQVLL-GFCCVEGCSA-N 284.315 3.645 5 40 CHBB CCC[C@@H](C)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 75105531 NUBYGQLRIDERSX-SECBINFHSA-N 284.743 3.509 5 40 CHBB O=[N+]([O-])c1cc(F)ccc1-n1ccc(-c2ccccc2)n1 685936630 MDKCFWQBLTYVJA-UHFFFAOYSA-N 283.262 3.587 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])c(/C=C/c2cccs2)s1 2172930 OUQCVCNWIIVYRJ-ONEGZZNKSA-N 281.314 3.586 5 40 CHBB CC(=O)c1c2ccccc2c2n(C(C)=O)c3ccccc3n12 1323222 MJOGBULSMPGPFJ-UHFFFAOYSA-N 290.322 3.910 5 40 CHBB Cc1nn(CCCc2ccccc2)c2ccc([N+](=O)[O-])cc12 89568184 LFZTXHIXKCSODL-UHFFFAOYSA-N 295.342 3.886 5 40 CHBB Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC[C@H]1C 45886351 KMMAAOIXLYSZJO-SNVBAGLBSA-N 268.744 3.935 5 40 CHBB C[C@@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 1621353 ONJNGXXZZLUSKY-PGYGNJIDSA-N 282.516 3.520 5 40 CHBB in-vitro O=C(CC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 5938346 AENURYQEYZMMPL-UHFFFAOYSA-N 280.299 3.643 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@@H]2CCC=CCC[C@@H]12 27559 PTVHKBNXYKHEEV-ZIAGYGMSSA-N 286.331 3.526 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c([C@H]2OCC[C@H]3CCCCN32)c1 57099760 JSWCLPVPOMBNDT-QMTHXVAHSA-N 296.754 3.522 5 40 CHBB Cc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 226762426 FOVOHHNWIRCEMF-UHFFFAOYSA-N 298.342 3.897 5 40 CHBB O=[N+]([O-])c1ccc(-c2csc(-c3ccco3)n2)cc1 25204461 KNLGBCYKQAPKBC-UHFFFAOYSA-N 272.285 3.978 5 40 CHBB C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2Cl)C1 196478717 QNPBNNRKQRPVJI-NXEZZACHSA-N 268.744 3.731 5 40 CHBB CCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 14258318 PTUMOEFLMSGHAW-UHFFFAOYSA-N 270.716 3.685 5 40 CHBB CCCNc1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-] 15833935 GELCCCFZBSTDPQ-UHFFFAOYSA-N 290.323 3.590 5 40 CHBB C[C@@H]1CCCCC[N+]12CC[N+]1(CCCCC[C@H]1C)CC2 1670741 VQPMOHZRVXUVFS-UVHRUJRTSA-N 280.500 3.559 5 40 CHBB Cc1ccccc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 8186085 KJRDATPFIUPDRR-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB O=[N+]([O-])c1c(F)cccc1NCc1cc2ccccc2[nH]1 58544050 FHBMIGBLFHLTJB-UHFFFAOYSA-N 285.278 3.827 5 40 CHBB Cc1ccc2c(Cl)cc(Cl)c([N+](=O)[O-])c2n1 72207236 LIIZDMZQQBPUAI-UHFFFAOYSA-N 257.076 3.758 5 40 CHBB CCCCOc1cccc2nc3ccccc3nc12 76495154 GGMSKBLWZXTVQL-UHFFFAOYSA-N 252.317 3.962 5 40 CHBB O=[N+]([O-])c1ccc(NCc2ccc(O)c(Cl)c2)cc1 48727954 LXUOEXFKRHSSMQ-UHFFFAOYSA-N 278.695 3.566 5 40 CHBB CCOc1ccc(-c2cn3cccc(C)c3n2)cc1[N+](=O)[O-] 973159 VMIALYTZCBDAJU-UHFFFAOYSA-N 297.314 3.617 5 40 CHBB biogenic O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]1c1ccccc1 44416522 RINDMNJRVBMIDW-TZMCWYRMSA-N 254.289 3.563 5 40 CHBB O=c1c2ccccc2c2nccc3c4cc(F)ccc4n1c32 8792592 NGBDCQIFFWVXQV-UHFFFAOYSA-N 288.281 3.731 5 40 CHBB biogenic CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2CC)o1 226314844 FFCXQGNKOMUQQT-UHFFFAOYSA-N 289.287 3.594 5 40 CHBB Cc1cc(NC(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1C 95470999 VAOGJPUFUICQPX-ZDUSSCGKSA-N 298.342 3.954 5 40 CHBB Cc1cc([N+](=O)[O-])c(Sc2ccccc2)c([N+](=O)[O-])c1 1628057 BBBZZEQWIYJQIE-UHFFFAOYSA-N 290.300 3.963 5 40 CHBB CC1(C)Cc2cc(CNc3cccc([N+](=O)[O-])c3)ccc2O1 10299696 FTGLWCYQAPJFSD-UHFFFAOYSA-N 298.342 3.920 5 40 CHBB C[N@+]12CCCC[C@H]1[C@H](COC1CCCCC1)CCC2 247693312 XPFJVBYUWABAFF-RYQLBKOJSA-N 266.449 3.745 5 40 CHBB biogenic,in-vitro Cn1c(=O)c2cc3ccccc3cc2c2ccccc21 25691631 CXTANZJQENRDAK-UHFFFAOYSA-N 259.308 3.845 5 40 CHBB COc1c(NC(C)=O)c2ccccc2c2ccccc12 1663950 WRKYPBXLNCCOCV-UHFFFAOYSA-N 265.312 3.960 5 40 CHBB in-vitro O=[N+]([O-])c1ccccc1Oc1cccc2cccnc12 2637328 OJEGERHLOSDIOT-UHFFFAOYSA-N 266.256 3.935 5 40 CHBB CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 9196680 LBCYKNHYPMWQEV-UHFFFAOYSA-N 298.342 3.960 5 40 CHBB Cc1cc(C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1N 6236028 XQYFUNCAFOMHHY-UHFFFAOYSA-N 286.375 3.953 5 40 CHBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 37976796 SYGZPJGOCKCKEC-SECBINFHSA-N 277.711 3.816 5 40 CHBB CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 30756142 NGMOLGFQLIYYAP-OAHLLOKOSA-N 298.342 3.784 5 40 CHBB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 171613 CTLJQORROKNSCN-NXEZZACHSA-N 296.754 3.651 5 40 CHBB Cc1cccc(C)c1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3332479 MIIXSQJFFSZBSQ-DHZHZOJOSA-N 297.310 3.830 5 40 CHBB COCc1ccccc1CNc1ccc([N+](=O)[O-])cc1C 37763116 YPWKSFMDQRTEAA-UHFFFAOYSA-N 286.331 3.662 5 40 CHBB Cc1ccc(N/C=C/c2onc(C)c2[N+](=O)[O-])cc1C 100151923 GVHSQNWGRYCHCZ-VOTSOKGWSA-N 273.292 3.591 5 40 CHBB Cc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1C 12082664 BQBHXXHZGRYGHV-UHFFFAOYSA-N 294.314 3.898 5 40 CHBB Cc1coc2c(C)c3o/c(=N/N)c4ccccc4c3cc12 9485789 JZNLNEPFUBVMTI-HTXNQAPBSA-N 278.311 3.723 5 40 CHBB O=[N+]([O-])c1ncccc1OCc1cccc2ccccc12 7044894 DMKIRBKSYQBBAJ-UHFFFAOYSA-N 280.283 3.722 5 40 CHBB CC[C@@H]1CN2C(=N1)c1ccccc1-c1cc([N+](=O)[O-])ccc12 5010650 NZPHTKRPQOSOOQ-LLVKDONJSA-N 293.326 3.621 5 40 CHBB Cc1cc(O)ccc1Sc1ccccc1[N+](=O)[O-] 1675830 SUTVNYQFPZSNIS-UHFFFAOYSA-N 261.302 3.760 5 40 CHBB O=[N+]([O-])c1ccc(N2CCc3ccccc32)c(Cl)c1 138377696 LZGUPTWZCXXVDB-UHFFFAOYSA-N 274.707 3.942 5 40 CHBB O=C(C/C(=C\c1ccccc1)[N+](=O)[O-])c1ccccc1 1664516 GBTCDZWFYRZWQU-RVDMUPIBSA-N 267.284 3.577 5 40 CHBB Cc1cccc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1C 311393 NLLBKYCJTYFRRQ-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CCCCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 4156540 FYBTVVXHSISQJP-UHFFFAOYSA-N 284.743 3.558 5 40 CHBB O=[N+]([O-])c1cccc(NC23CC4CC(CC(C4)C2)C3)c1 40545144 AVWCPSYKIJXPED-UHFFFAOYSA-N 272.348 3.976 5 40 CHBB CC(=O)Nc1ccc2oc3ccc(Cl)cc3c(=O)c2c1 5663686 JCAIEYDHJZVMNK-UHFFFAOYSA-N 287.702 3.558 5 40 CHBB C[C@@H]1CCCCN1c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 45886544 SDOTXNNRNOPRJZ-MRVPVSSYSA-N 299.714 3.535 5 40 CHBB CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 39369874 GAXVSIQPDPRGOL-UHFFFAOYSA-N 258.277 3.737 5 40 CHBB CC(C)(C)NC(=O)Nc1cc2ccncc2c2ncccc12 33740696 LJHUAUPYCCZUHI-UHFFFAOYSA-N 294.358 3.703 5 40 CHBB COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1C 4891791 YDNXLRBQOZWSIU-UHFFFAOYSA-N 286.331 3.832 5 40 CHBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccccc3)oc12 73639252 PCYGYWBATFRGRT-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB CCOC(=O)c1cc2cc(C(C)(C)C)cc([N+](=O)[O-])c2[nH]1 1776011237 UXYHUXHWWIDMFO-UHFFFAOYSA-N 290.319 3.550 5 40 CHBB O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)cc2ccccc12 3847767 PNDKYSVXWAMJRN-JXMROGBWSA-N 293.278 3.872 5 40 CHBB O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)c2nonc12 4017573 BOAJDMIDSSIIGG-UHFFFAOYSA-N 290.666 3.528 5 40 CHBB CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1 120377987 VJBKCECIKHZNCJ-UHFFFAOYSA-N 292.678 3.638 5 40 CHBB Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1 21011349 NJEZEWIRHXSMQK-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB COc1ccccc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 216731116 ZPSLYERYKYXUEI-UHFFFAOYSA-N 284.271 3.720 5 40 CHBB C[C@H]1Cc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc2O1 10299655 HDNLCGFXLDNZDY-NSHDSACASA-N 284.315 3.530 5 40 CHBB CCCCOC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 70167254 KNBRMSYFJQGRHS-UHFFFAOYSA-N 292.118 3.859 5 40 CHBB Cc1noc(/C=C\c2cccc(Cl)c2)c1[N+](=O)[O-] 33782272 BQXINCXFJVJCOV-WAYWQWQTSA-N 264.668 3.715 5 40 CHBB O=[N+]([O-])c1cccn2cc(-c3ccc(Cl)cc3)nc12 20031113 SXXJBGWSHJXPFO-UHFFFAOYSA-N 273.679 3.563 5 40 CHBB O=[N+]([O-])c1ccc(-c2csc(Nc3ccccn3)n2)cc1 712131 GJGZMVDJMWEBJC-UHFFFAOYSA-N 298.327 3.857 5 40 CHBB CC(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1284173 CPTZYZONRUYLRK-UHFFFAOYSA-N 284.315 3.971 5 40 CHBB CCOc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 37488112 YYTCWSVAQOOKNK-UHFFFAOYSA-N 272.304 3.606 5 40 CHBB COC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1 4693980 VDSUBJQKTWJDDF-UHFFFAOYSA-N 285.324 3.593 5 40 CHBB Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1cccs1 1463351 OXVDVBZCVBPDOM-GFCCVEGCSA-N 286.356 3.946 5 40 CHBB O=[N+]([O-])c1ccccc1Nc1ccnc2ccccc12 72242841 DKJMESUBSFNURK-UHFFFAOYSA-N 265.272 3.887 5 40 CHBB O=[N+]([O-])c1c(SC2CCCCC2)nc2sccn12 96967083 DHZAEFASJHOSMN-UHFFFAOYSA-N 283.378 3.729 5 40 CHBB CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 321528 JGINIYLPTXBPIY-NSHDSACASA-N 296.754 3.653 5 40 CHBB CN(Cc1ccc(C(C)(C)C)cc1)c1ncccc1[N+](=O)[O-] 15168115 DRFSAHUJOLAUDN-UHFFFAOYSA-N 299.374 3.924 5 40 CHBB CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c(=O)c1C(C)C 685938268 NYRHTZAIOWMEQT-UHFFFAOYSA-N 274.320 3.683 5 40 CHBB COc1ccc(OC)c(/C=C\c2ccc([N+](=O)[O-])cc2)c1 5640952 HVSBSYHEGIPGAW-UTCJRWHESA-N 285.299 3.782 5 40 CHBB Cc1ccnc(Cl)c1OCc1cccc([N+](=O)[O-])c1C 95458224 YSKNYESICCPNNY-UHFFFAOYSA-N 292.722 3.839 5 40 CHBB O=[N+]([O-])c1cccc([C@@H](O)c2cccc3ccccc23)c1 226294196 YCESYDZRLGIGKH-QGZVFWFLSA-N 279.295 3.830 5 40 CHBB COc1cc(CCC(=O)O)c2cc3ccccc3cc2c1O 1658611 IUTRRFLRZUNJIL-UHFFFAOYSA-N 296.322 3.724 5 40 CHBB Cc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 138017561 WKBCWZBVVWWYHQ-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1[C@H]1CCc2ccccc2C1=O 169801327 UPFLMJKMHRDKKJ-MRXNPFEDSA-N 281.311 3.816 5 40 CHBB CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 50197551 BCUOAXAVTAODKZ-CYBMUJFWSA-N 257.293 3.553 5 40 CHBB Cc1c(NC(=S)Nc2ccccc2)cccc1[N+](=O)[O-] 587841 KDVZQUXKYRJNOY-UHFFFAOYSA-N 287.344 3.712 5 40 CHBB O=C(c1ccc(Cl)cc1)c1ccc(F)c([N+](=O)[O-])c1 2529204 XHFITYZCCQFARP-UHFFFAOYSA-N 279.654 3.618 5 40 CHBB COc1ccc([N+](=O)[O-])cc1CSc1nc(C)cs1 24221121 LWXYKOXUGVUWKF-UHFFFAOYSA-N 296.373 3.661 5 40 CHBB CC1(C)O[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc21 98186 JRTALLWKVCDUAQ-HNNXBMFYSA-N 284.315 3.971 5 40 CHBB C[N+](C)(C/C=C/c1ccccc1)Cc1ccccc1 1848449 USBBCICLUMRGCW-NTEUORMPSA-N 252.381 3.976 5 40 CHBB O=[N+]([O-])c1ccc(-c2[nH]nc(C(F)(F)F)c2Cl)cc1 12374673 IPJKUWJDKFEJGM-UHFFFAOYSA-N 291.616 3.657 5 40 CHBB Cc1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 15965318 RXBSELMTVFLOGP-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] 43346271 BBRFVGMZJQFZBR-ZYHUDNBSSA-N 291.351 3.603 5 40 CHBB O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)cc1 112759 AVLOTNQUWDWUNC-UHFFFAOYSA-N 266.256 3.935 5 40 CHBB Cc1ccc(-c2csc(C3CC3)n2)cc1[N+](=O)[O-] 28334817 MSMGCYFXEYJWHN-UHFFFAOYSA-N 260.318 3.904 5 40 CHBB Cc1cc(C)cc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1 5158538 ZKUZLWMYEVMDBA-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB COc1ccc(-c2nc3ccccc3s2)cc1[N+](=O)[O-] 8166010 IGCSGDSLQNJBJF-UHFFFAOYSA-N 286.312 3.880 5 40 CHBB Nc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1Cl 216926181 BFXMDAMYKDBHOD-UHFFFAOYSA-N 289.678 3.639 5 40 CHBB Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC[C@@H]1C 45886347 KMMAAOIXLYSZJO-JTQLQIEISA-N 268.744 3.935 5 40 CHBB Cc1c/c(=N\c2cccc([N+](=O)[O-])c2)c2ccccc2[nH]1 303288 MAUAEFRPSLAYFU-UHFFFAOYSA-N 279.299 3.617 5 40 CHBB Cc1cccc(SC(=O)c2ccc([N+](=O)[O-])cc2)c1 1688791 DVBLLFTWPCNPSZ-UHFFFAOYSA-N 273.313 3.836 5 40 CHBB O=C(Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]1c1ccccc1 32927917 HVQKTOCTDGRDGO-CQSZACIVSA-N 297.314 3.574 5 40 CHBB CCCC[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2 1741936 VBKDCCYHJRMCOJ-UUCFBXCCSA-N 278.441 3.588 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5175762 WXYPSYZKIKOYJO-JTQLQIEISA-N 282.315 3.889 5 40 CHBB Cc1cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 40072711 YOSOCLYSGGLJTA-UHFFFAOYSA-N 295.298 3.637 5 40 CHBB CC(=O)Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 16955037 KMYUHKCVKYYXKJ-IHWYPQMZSA-N 282.299 3.724 5 40 CHBB CC(C)(C)c1nc2cc(Cl)c([N+](=O)[O-])cc2o1 230390 UQNSVSRPHNOKAY-UHFFFAOYSA-N 254.673 3.687 5 40 CHBB Cc1ccc([N+](=O)[O-])c(NC(=O)C2CCCCC2)c1C 6501745 DZZQLQVHXBMZIN-UHFFFAOYSA-N 276.336 3.730 5 40 CHBB CC(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 12978439 MROXVRUCJGKSIW-UHFFFAOYSA-N 291.351 3.637 5 40 CHBB Cc1ccc(Cl)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 325159 HNHRNZCNGDOBRX-UHFFFAOYSA-N 291.690 3.776 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCCCC1 45958956 VHVMAIJIERHRLH-UHFFFAOYSA-N 275.135 3.892 5 40 CHBB CCc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 14258294 KDXLRTAPWGWCCA-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB C[N+](C)(C)CCO[C@H](Cc1ccccc1)c1ccccc1 85 LBRNZQRZDLLIHL-LJQANCHMSA-N 284.423 3.693 5 40 CHBB in-man O=[N+]([O-])c1cccc(/C=C/c2cccc([N+](=O)[O-])c2)c1 2023023 DUTMIVLDFHVUNY-BQYQJAHWSA-N 270.244 3.673 5 40 CHBB Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1[N+](=O)[O-] 130638 DLBOIDPQURWXFT-UHFFFAOYSA-N 276.336 3.524 5 40 CHBB CC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 164859 JGCWPFNPSPTELC-UHFFFAOYSA-N 273.313 3.949 5 40 CHBB O=Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4783569 XSSJIDRTHFIYQT-UHFFFAOYSA-N 286.247 3.637 5 40 CHBB Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12 6576304 VRZSQKQGYWXODL-VMPITWQZSA-N 291.310 3.896 5 40 CHBB O=[N+]([O-])c1cc(OC(F)(F)Cl)c(Cl)cc1F 95215776 QSXJJCCPAWPBKC-UHFFFAOYSA-N 275.997 3.555 5 40 CHBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3cccs3)oc2c1 12846573 LWCKSTGJQNRCMZ-UHFFFAOYSA-N 290.256 3.978 5 40 CHBB Cc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1[N+](=O)[O-] 484116 WNRXVTQMZKDGNX-UHFFFAOYSA-N 292.379 3.657 5 40 CHBB CCCCN(CCCC)c1c([N+](=O)[O-])ccc2nonc12 4658766 BVXYTGZVFDEGQR-UHFFFAOYSA-N 292.339 3.538 5 40 CHBB O=[N+]([O-])c1ccc(Cl)cc1N1CCCCCC1 4740926 UOJIBENEFOLPDH-UHFFFAOYSA-N 254.717 3.629 5 40 CHBB Nc1cccc2c1c1cccc(N)c1c1cccc(N)c21 1776010859 TXQXBGIHSVUGNV-UHFFFAOYSA-N 273.339 3.893 5 40 CHBB Cc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F 68591206 TTWTUBATGCUQFX-UHFFFAOYSA-N 273.132 3.941 5 40 CHBB CC[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] 21797191 RBHPBFDQAGRXEH-SSDOTTSWSA-N 273.130 3.568 5 40 CHBB O=C(OCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 5112850 ZZWKHWMSPPCGDY-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB C/C=C(/CN/C(=C/[N+](=O)[O-])c1ccccc1)c1ccccc1 1587203 YXIBWPUZIBVQEV-PKFSPEPDSA-N 294.354 3.955 5 40 CHBB C[C@H]1CCCCN1c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 45886581 ZSZAECIRLNOHDY-QMMMGPOBSA-N 299.714 3.535 5 40 CHBB O=C1c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])c(F)c1 169800289 AGSPSEQTJDQYJD-CYBMUJFWSA-N 285.274 3.647 5 40 CHBB COc1cc([N+](=O)[O-])cc2[nH]c(-c3ccccc3)cc12 32780 JRZBPXIKNOXZPI-UHFFFAOYSA-N 268.272 3.752 5 40 CHBB O=[N+]([O-])c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 2025673 AEJUUUJRUDHVBS-UHFFFAOYSA-N 276.273 3.654 5 40 CHBB Cc1ccc(C(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1 36636268 WVDNZTDDGMJUKK-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3ccccc3F)oc2c1 73640055 PMQVDJZEVWAMKU-UHFFFAOYSA-N 258.208 3.542 5 40 CHBB Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 225241924 ZZZKVSSGMWNABW-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB Cc1ccc(Cl)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 325149 MULDKEZLXZPLON-UHFFFAOYSA-N 291.690 3.776 5 40 CHBB O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)cc1 37331699 ARTWMBCBLVTPEX-UHFFFAOYSA-N 267.647 3.526 5 40 CHBB CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 30756146 NGMOLGFQLIYYAP-HNNXBMFYSA-N 298.342 3.784 5 40 CHBB O=c1oc2ccccc2cc1-c1cc([N+](=O)[O-])ccc1F 216938039 GPXZRYGHAHMBTA-UHFFFAOYSA-N 285.230 3.507 5 40 CHBB Cc1cc([N+](=O)[O-])cc2nc(-c3cccc(F)c3)oc12 73639434 CKFCOWHLBDTSQP-UHFFFAOYSA-N 272.235 3.851 5 40 CHBB COc1cccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)c1 3344796 MXUILFQSBWQEFA-MRXNPFEDSA-N 296.326 3.585 5 40 CHBB Cc1ccc(C)c(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 44949972 HLYUJZPZPUTBIB-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB O=C(O)c1c2ccccc2nc2cc(Cl)ccc12 39299357 MGPYAGVLXOWEJV-UHFFFAOYSA-N 257.676 3.740 5 40 CHBB in-vitro CC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 226316724 PRVJOGJTNQAJJR-UHFFFAOYSA-N 299.168 3.594 5 40 CHBB O=[N+]([O-])c1cc([N+](=O)[O-])c2ccn(Cc3ccccc3)c2c1 15084460 MCCWNCFTVGIZMY-UHFFFAOYSA-N 297.270 3.506 5 40 CHBB O=[N+]([O-])c1ccc(OCc2cc(-c3ccccc3)no2)cc1 12797897 NAXWLVVEKKWSNA-UHFFFAOYSA-N 296.282 3.829 5 40 CHBB Cc1c2ccccc2c([C@@H](N)CC(=O)O)c2ccccc12 44215999 FICBVUPAVKOMSL-INIZCTEOSA-N 279.339 3.776 5 40 CHBB C[C@H]1CCCCC[N+]12CC[N+]1(CCCCC[C@H]1C)CC2 17143103 VQPMOHZRVXUVFS-VCWRXUFXSA-N 280.500 3.559 5 40 CHBB CCNc1ccc(SC(F)(F)F)cc1[N+](=O)[O-] 4872039 PZYMORKFWAGWRJ-UHFFFAOYSA-N 266.244 3.639 5 40 CHBB CSc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 5222657 WIVUUNBMMCXTHU-UHFFFAOYSA-N 288.328 3.569 5 40 CHBB Cc1ccc2oc(-c3cccc([N+](=O)[O-])c3)nc2c1 292588 XLNBMWGARNSTFS-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB O=[N+]([O-])c1cc2c(nc3ccccn32)c2ccccc12 1583192 BVTRBAZPCLIPND-UHFFFAOYSA-N 263.256 3.549 5 40 CHBB CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1 58394110 NQTNKCDWBMGYCV-GFCCVEGCSA-N 285.347 3.769 5 40 CHBB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1c1ccc([N+](=O)[O-])cc12 95938291 QISHSLGQRNLFBK-OLZOCXBDSA-N 290.319 3.722 5 40 CHBB CCCN(CCC)CCc1cccc([N+](=O)[O-])c1C 16697773 YTNVHUSMDIAWLT-UHFFFAOYSA-N 264.369 3.568 5 40 CHBB O=C(O)C(=Cc1cccc2ccc3ccccc3c12)C(=O)O 1600036 DYVOJNCKRXVQRC-UHFFFAOYSA-N 292.290 3.546 5 40 CHBB O=[N+]([O-])c1cccnc1Sc1nc(-c2ccccc2)c[nH]1 12787396 NWJVMMROXRNZDT-UHFFFAOYSA-N 298.327 3.531 5 40 CHBB C[C@@H](c1cccc(Cl)c1)N(C)c1ccc([N+](=O)[O-])cn1 48976694 YIQBXRFSYYEUCZ-JTQLQIEISA-N 291.738 3.841 5 40 CHBB Cc1ccc2nc(Cc3cccc([N+](=O)[O-])c3)oc2c1 199803300 VDSKFKJMJKANCE-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB Nc1c(Br)cc([N+](=O)[O-])cc1-c1ccccc1 5495513 ZTFKXICWVMFHQM-UHFFFAOYSA-N 293.120 3.607 5 40 CHBB Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5745992 LTLPAECBLBKFTF-UHFFFAOYSA-N 271.276 3.547 5 40 CHBB Cc1ccsc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 37099231 IFJKBRBMRQDGOE-VOTSOKGWSA-N 288.328 3.617 5 40 CHBB O=C(Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 5679593 KVPMAMRTEMBHKW-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1 20566409 FMZHMYAFGDQMCG-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 126561977 VGMDUDWWARDDKQ-TWGQIWQCSA-N 275.695 3.599 5 40 CHBB O=[N+]([O-])c1ccc(OCc2ccc(F)cc2Cl)cc1 78421610 YDCFRPSBNSQJKL-UHFFFAOYSA-N 281.670 3.966 5 40 CHBB [O-][N@+]1(Cc2ccccc2Cl)CCc2sccc2C1 247444468 YEICEJCPALKCAT-INIZCTEOSA-N 279.792 3.972 5 40 CHBB world CCc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10338618 VSFATGHOEBNAIU-UHFFFAOYSA-N 298.342 3.729 5 40 CHBB C[C@H](C[C@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C 13509567 NBLWOKORNFBCIG-ZACQAIPSSA-N 298.491 3.821 5 40 CHBB Cc1cc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 4113293 ZRJOGYIQYCLOKM-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1Br 116380522 BABOYRMVACTQGM-UHFFFAOYSA-N 287.994 3.515 5 40 CHBB CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 13942433 RHVRJGUPPUNVBM-UHFFFAOYSA-N 290.363 3.698 5 40 CHBB CC(C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl 22114272 USZMRJRYGHZJID-UHFFFAOYSA-N 250.081 3.689 5 40 CHBB in-vitro Cc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1C 8308409 XXNQCIRLWCUYHM-UHFFFAOYSA-N 288.332 3.664 5 40 CHBB Cc1cc([N+](=O)[O-])c(-c2ccc(C(=O)O)o2)cc1Cl 40541567 KONHGWJIOSIAPC-UHFFFAOYSA-N 281.651 3.515 5 40 CHBB Cc1ccc(OC/C=C\c2cccc([N+](=O)[O-])c2)cc1 4900509 DCQCTTCPGXXVOK-HYXAFXHYSA-N 269.300 3.995 5 40 CHBB C[C@@H]1Cc2cc(CNc3cccc([N+](=O)[O-])c3)ccc2O1 10299700 WAJAPAQBDUMFQB-LLVKDONJSA-N 284.315 3.530 5 40 CHBB Cc1c(Cl)cc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] 26508630 YSYMZDUMOQSTOL-UHFFFAOYSA-N 265.652 3.629 5 40 CHBB O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 3845341 UGVAHPRTVIWHRA-JXMROGBWSA-N 265.272 3.642 5 40 CHBB CCCCCCNc1ncnc2ccc([N+](=O)[O-])cc12 81590098 IDZJIWOUPXDTJN-UHFFFAOYSA-N 274.324 3.530 5 40 CHBB Cc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792477 XSSWXIZSJLBKCA-UHFFFAOYSA-N 284.318 3.900 5 40 CHBB biogenic C[C@H](S/C=C/c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C 252478335 AJMLNBLFHUCHRS-FLOXNTQESA-N 299.348 3.622 5 40 CHBB CC(=O)Nc1ccc2nc3c(cc2c1)[nH]c1ccccc13 379032 GLCBCLNDIBJYIX-UHFFFAOYSA-N 275.311 3.828 5 40 CHBB O=[N+]([O-])C[C@H](c1cccs1)c1c[nH]c2ccccc12 3278422 WQMAXEWGZZQYED-LBPRGKRZSA-N 272.329 3.638 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 477411 GADLKUHXNQUJEP-UHFFFAOYSA-N 282.727 3.767 5 40 CHBB CC1(C)CCC(C)(C)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc21 1633867 RYPVKAIVQBMDRP-UHFFFAOYSA-N 278.308 3.852 5 40 CHBB Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1CCCCC1)C(C)(C)O2 4105243 FQRSRRCCNFUWDY-OAHLLOKOSA-N 290.363 3.601 5 40 CHBB O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccccc2)c1 485290 BBTXLLQETQFMKH-UHFFFAOYSA-N 291.307 3.543 5 40 CHBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 8053719 UQXYYNHIXDCVBY-SECBINFHSA-N 277.711 3.816 5 40 CHBB CCN(CC)c1c(Cl)cc([N+](=O)[O-])cc1Cl 45885863 XGWWJLHMCNEXMG-UHFFFAOYSA-N 263.124 3.748 5 40 CHBB CCc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cccc2c1=O 685938251 NDBCHOCCCQPXTO-UHFFFAOYSA-N 294.310 3.666 5 40 CHBB CCCCOc1ccc2c(=O)c3ccc(O)cc3oc2c1 38490582 YFYUNKAICYPTDQ-UHFFFAOYSA-N 284.311 3.831 5 40 CHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CC(C)(C)C 40466650 RDJNCVUCMYYSAA-LLVKDONJSA-N 278.352 3.550 5 40 CHBB O=[N+]([O-])c1ccc(Sc2ccccc2Cl)nc1 480500 MPSSZZXHIKTHQT-UHFFFAOYSA-N 266.709 3.794 5 40 CHBB O=C(Nc1ccccc1F)c1ccc(Cl)cc1[N+](=O)[O-] 265782 MGHXSNKJFLFLJZ-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 8943436 HUPUVNDWBMFUJB-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB C[C@H]1CC[C@@H](C)N1c1ccc(Br)cc1[N+](=O)[O-] 84689517 LSDRUSWNMGWFJC-DTORHVGOSA-N 299.168 3.735 5 40 CHBB COc1ccc([C@@H]2C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1556161 GFAZKGFWSGMOHY-CVEARBPZSA-N 269.300 3.875 5 40 CHBB CC(C)CN(CCOc1ccccc1[N+](=O)[O-])CC(C)C 59384660 DFMUJWFVGDUAOW-UHFFFAOYSA-N 294.395 3.588 5 40 CHBB O=C(O)c1ccc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c1 95704700 ZYGCYTXTQPYRQE-UHFFFAOYSA-N 293.662 3.739 5 40 CHBB Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1 4078799 OERPUUFEUUWZFJ-FNORWQNLSA-N 288.328 3.617 5 40 CHBB aggregator CCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 57351245 GTIVNBPMTWEWRW-UHFFFAOYSA-N 267.288 3.701 5 40 CHBB COc1ccccc1CNc1ccc([N+](=O)[O-])cc1Cl 5862387 QCSFFDDMEFRMPJ-UHFFFAOYSA-N 292.722 3.869 5 40 CHBB Cc1noc(/C=C/c2cn(C)c3ccccc23)c1[N+](=O)[O-] 5205162 HEFDAHIIIZVIHQ-BQYQJAHWSA-N 283.287 3.553 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(Cl)cc1N1CCCCC1 4276718 VNEVKBGXNAMHQQ-UHFFFAOYSA-N 275.135 3.892 5 40 CHBB CO[C@]1(C)C(=O)Oc2c1c1ccccc1c1ccccc21 1721770 ZPUDKAYDGWDKAC-SFHVURJKSA-N 278.307 3.774 5 40 CHBB C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 59928400 RPWMKKNQRGZJHH-MRVPVSSYSA-N 296.685 3.922 5 40 CHBB CCn1c(CNc2cccc([N+](=O)[O-])c2)nc2ccccc21 95953087 BSOLLJLVGBJMLO-UHFFFAOYSA-N 296.330 3.577 5 40 CHBB CC[C@H](O)CNCc1c2ccccc2cc2ccccc12 1593759 FDHILNIEEMVICB-INIZCTEOSA-N 279.383 3.854 5 40 CHBB CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 32958662 NOHXSOMLPXVXOB-UHFFFAOYSA-N 294.357 3.631 5 40 CHBB Cc1cc2c(sc3ccc([N+](=O)[O-])cc32)c(C)n1 501243 XTAOEXLWWTVVQN-UHFFFAOYSA-N 258.302 3.975 5 40 CHBB CC(C)CNc1c([N+](=O)[O-])c(Cl)nc2ccccc12 21989589 DVWFDUDOJMSGAP-UHFFFAOYSA-N 279.727 3.864 5 40 CHBB O=[N+]([O-])c1ccc2[nH]c(Cc3ccc(Cl)cc3)nc2c1 57352411 QQJUPMSDZXGWGQ-UHFFFAOYSA-N 287.706 3.715 5 40 CHBB CCOC(=O)c1nc2c(ccc3ccccc32)cc1C 500412 PMBOESXCXJTFDT-UHFFFAOYSA-N 265.312 3.873 5 40 CHBB C[C@H]1CS[C@H](/C=C/c2ccccc2[N+](=O)[O-])S1 36019032 FSFJFWRVPPIIFR-NQSFLYKLSA-N 267.375 3.803 5 40 CHBB CC(C)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C 3194463 HGKGYXFSDLNRFZ-UHFFFAOYSA-N 284.743 3.507 5 40 CHBB O=[N+]([O-])c1cc(Br)c2nc(Cl)ccc2c1 685937261 FBRCBFOCOCDJKC-UHFFFAOYSA-N 287.500 3.559 5 40 CHBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cc2ccccc2o1 45438529 VYESTICGZMOIBJ-JTQLQIEISA-N 283.287 3.909 5 40 CHBB CC[C@H](C)Oc1c(Cl)cc(/C=C/[N+](=O)[O-])cc1OC 1076263 MFBBBQDHJFZUGP-CYNONHLPSA-N 285.727 3.773 5 40 CHBB CCCCC[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2743272 GZPXDSBASHVJEZ-JTQLQIEISA-N 298.770 3.947 5 40 CHBB Cc1ccc([N+](=O)[O-])c(Cc2cc(C)ccc2[N+](=O)[O-])c1 2049202 XSCMOKDVPSTAJY-UHFFFAOYSA-N 286.287 3.711 5 40 CHBB CC1(C)Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2O1 2562074 KLNTUEGUXALRFE-UHFFFAOYSA-N 299.326 3.887 5 40 CHBB CC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1F 15080137 UAHMCVJZFYJDCS-UHFFFAOYSA-N 275.235 3.729 5 40 CHBB Cc1ccc(C)c(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 5635739 CFXFSUYWPDDAER-UHFFFAOYSA-N 299.326 3.877 5 40 CHBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccs1 72228655 QPNMOLSWPWISNG-UHFFFAOYSA-N 290.344 3.779 5 40 CHBB Cc1ccc(Sc2ccc(CO)cc2[N+](=O)[O-])cc1 1036277 WDPSYBQFUCZGSY-UHFFFAOYSA-N 275.329 3.547 5 40 CHBB CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cs1 95960919 ZNHSPHMLSQYVRU-SECBINFHSA-N 292.364 3.743 5 40 CHBB O=[N+]([O-])c1ccc(OC(F)(F)F)c(C(F)(F)F)c1 95215558 ZNKMWLOCUFKJKX-UHFFFAOYSA-N 275.104 3.512 5 40 CHBB CCCC(CCC)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C 100036827 XGGHHHBGPSNXFE-MUJYYYPQSA-N 282.448 3.516 5 40 CHBB world O=C(O)c1cc2cc3c(cc2[nH]1)oc1ccccc13 4027418 PXROSWSGJXFPIU-UHFFFAOYSA-N 251.241 3.766 5 40 CHBB biogenic O=[N+]([O-])c1c(F)cccc1N[C@H](c1nccs1)C1CC1 95972050 BNQPXVHLWSOSGS-NSHDSACASA-N 293.323 3.754 5 40 CHBB CCCCC[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4156324 CNWTVZWQQPJXAM-JTQLQIEISA-N 298.770 3.947 5 40 CHBB CCCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(C)c1 9095382 LBWLTAVXZAXPOX-UHFFFAOYSA-N 298.342 3.960 5 40 CHBB O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)CCc1ccccc1 1748139 PWGUASFROBOVCP-QINSGFPZSA-N 297.310 3.696 5 40 CHBB Cc1c(C=O)c2ccccc2n1Cc1cccc([N+](=O)[O-])c1 6714296 MUVAEZNWZCQEMM-UHFFFAOYSA-N 294.310 3.719 5 40 CHBB CCCn1c(C)nc2cc(C(F)(F)F)cc([N+](=O)[O-])c21 1585594 PBOHJMCFPLVAKR-UHFFFAOYSA-N 287.241 3.682 5 40 CHBB O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)s1 35099507 YWIMIUSWJKFPPM-UHFFFAOYSA-N 297.719 3.701 5 40 CHBB Cc1cccc(C(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)c1 6034557 YDNVPKZFQQGICJ-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1cccc(C[N+](C)(C)CCC(=O)c2ccccc2)c1 28264 OCYOZSKMFKKXHS-UHFFFAOYSA-N 282.407 3.844 5 40 CHBB CC(C)(C)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 59323994 URXUQIQHVSXGGI-UHFFFAOYSA-N 291.134 3.886 5 40 CHBB Cc1ccc(N(C)C(=O)Oc2ccccc2[N+](=O)[O-])cc1 26571279 VXWPYFKJDBMKQL-UHFFFAOYSA-N 286.287 3.538 5 40 CHBB O=C(NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 3428232 LCNIUAKKOQHIJA-UHFFFAOYSA-N 296.754 3.558 5 40 CHBB Cc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 23030385 WAHLDGNLCJTHTP-HNNXBMFYSA-N 283.331 3.640 5 40 CHBB Cc1ccc(C)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 3302477 QXVLWPBWTFZCFA-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 30852774 VNUBSTCWXCMVGR-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1 45888466 USMQXOOQHAFJBX-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB CC[C@H](C)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H](C)CC 17022932 VEYCDJFBEGIVRF-BETUJISGSA-N 292.379 3.942 5 40 CHBB O=C1Nc2c(cccc2[N+](=O)[O-])Oc2ccc(Cl)cc21 77285778 CTLPQSSEVPCYGC-UHFFFAOYSA-N 290.662 3.606 5 40 CHBB in-vitro CC(C)Oc1ccc2c(c1)oc(=O)c1ccccc12 374019 UZVKJOJYTQXHHS-UHFFFAOYSA-N 254.285 3.733 5 40 CHBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 47611823 XRYQCZLLBWNISY-UHFFFAOYSA-N 299.330 3.649 5 40 CHBB O=C(NCCC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 13649367 LCWYPIJSHGARMT-UHFFFAOYSA-N 290.363 3.685 5 40 CHBB COc1ccc(N2N=NC[C@H]2c2ccccc2[N+](=O)[O-])cc1 1679244 MTYADIBQOVOGIZ-HNNXBMFYSA-N 298.302 3.532 5 40 CHBB O=[N+]([O-])c1ccc2c3c(ccc(Br)c13)CC2 70650 RGJQVHVUFZWQGQ-UHFFFAOYSA-N 278.105 3.609 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N1[C@H](C)CCC[C@H]1C 226315556 RJPGNOPPNMMATQ-VXGBXAGGSA-N 262.353 3.925 5 40 CHBB Cc1cc(=O)oc2cc(Oc3ccccc3[N+](=O)[O-])ccc12 8148898 ZGKBDRPQYHMALW-UHFFFAOYSA-N 297.266 3.802 5 40 CHBB C[C@@H]1CS[C@@H](/C=C\c2ccccc2[N+](=O)[O-])S1 13403320 FSFJFWRVPPIIFR-VTHORBTBSA-N 267.375 3.803 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1 87836 SZZFBOGMOJQIHH-UHFFFAOYSA-N 284.193 3.801 5 40 CHBB CCN=c1cc2oc3cc(NCC)c(C)cc3nc-2cc1C 257157232 PWLZRLVLUJPWOB-UHFFFAOYSA-N 295.386 3.902 5 40 CHBB O=[N+]([O-])c1ccc(OCCOc2ccccc2)c(Cl)c1 1717540 WWIJDFUELZHAOR-UHFFFAOYSA-N 293.706 3.706 5 40 CHBB CC[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 272931 QQDVTEKQCBEBEK-SNVBAGLBSA-N 288.303 3.954 5 40 CHBB O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(F)cc1 32806169 SYAAIYUXSOXWTG-UHFFFAOYSA-N 280.686 3.999 5 40 CHBB O=C(O)c1ccc([N+](=O)[O-])cc1Sc1ccsc1 1701380 AWKIACKIVBVARX-UHFFFAOYSA-N 281.314 3.506 5 40 CHBB CC(=O)Nc1c(C=O)ccc2cc3ccccc3cc12 3844878 JYEGUDCDGXBAJI-UHFFFAOYSA-N 263.296 3.764 5 40 CHBB biogenic Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 30852772 VNUBSTCWXCMVGR-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 8053715 UQXYYNHIXDCVBY-VIFPVBQESA-N 277.711 3.816 5 40 CHBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 20453355 GQGXDPIWHVJLOW-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB Cc1ccc([C@H](C[N+](=O)[O-])c2c(C)cc3ccccn23)cc1 3207283 XAYAZUUBKPBFDF-KRWDZBQOSA-N 294.354 3.965 5 40 CHBB Cc1c(Oc2ncnc3ccsc23)cccc1[N+](=O)[O-] 48566161 KELJIOMYBYOIMB-UHFFFAOYSA-N 287.300 3.700 5 40 CHBB CCCCCC(=O)OC[C@H]1CCC[N@+]2(C)CCCC[C@@H]12 408720379 MKVONESRFDICGW-RYRKJORJSA-N 282.448 3.519 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1[C@@H]1CCc2ccccc2C1=O 169801325 UPFLMJKMHRDKKJ-INIZCTEOSA-N 281.311 3.816 5 40 CHBB CCOC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 28915971 AKKHHOMWXWWHPG-UHFFFAOYSA-N 287.271 3.564 5 40 CHBB CC(=O)c1ccc(OCc2csc([N+](=O)[O-])c2)cc1F 69739589 ZQEBCZIYDNUAMU-UHFFFAOYSA-N 295.291 3.577 5 40 CHBB O=[N+]([O-])c1ccc(-c2csc(-c3ccncc3)n2)cc1 171866 KBJPOQAAUJKMBN-UHFFFAOYSA-N 283.312 3.780 5 40 CHBB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 259041 AKRDGBGDSLJKGO-UWVGGRQHSA-N 296.754 3.651 5 40 CHBB CCc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 5616200 IEOWNEIQJVZTEZ-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB O=[N+]([O-])c1ccc(CNc2ccc(F)c(Cl)c2)cc1 16401641 GCNJBMAEGWIJSZ-UHFFFAOYSA-N 280.686 3.999 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccccc1 43149872 RDXHKBYMYYDFKZ-UHFFFAOYSA-N 299.330 3.567 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 2064431 WWLZCNUOYKEZNF-NSHDSACASA-N 294.351 3.758 5 40 CHBB CCCCOc1c(C(=O)O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225284587 WHRDCJJZSUYPPK-UHFFFAOYSA-N 295.335 3.769 5 40 CHBB CCC[N+](C)(CCc1ccccc1)CC[N+](C)(CC)CC 5432118 FZNOTFUEKQEKDG-UHFFFAOYSA-N 292.511 3.572 5 40 CHBB CC(C)(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4329280 IHUIQBGSIOYQJP-UHFFFAOYSA-N 262.231 3.824 5 40 CHBB CC(=O)c1ccc2nc3c(cc2c1)c(=O)oc1ccccc13 4784955 UXWLMFKAFWLICC-UHFFFAOYSA-N 289.290 3.697 5 40 CHBB O=[N+]([O-])/C=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409068941 KMPLXWPHDNETJR-WAYWQWQTSA-N 294.650 3.756 5 40 CHBB CCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4822700 KIOIMQYFPCKFNK-UHFFFAOYSA-N 287.275 3.661 5 40 CHBB CC[C@H](NC1CCSCC1)c1cccc([N+](=O)[O-])c1 90918609 YMWGTMGCSKUBCT-AWEZNQCLSA-N 280.393 3.531 5 40 CHBB C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 4713253 KMYZJLUTDKTVNI-VIFPVBQESA-N 288.269 3.850 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)c(Cl)c1 8146711 KEGJCCMJKRDRMS-UHFFFAOYSA-N 293.662 3.769 5 40 CHBB O=C1Nc2ccccc2S/C1=C\c1ccc([N+](=O)[O-])cc1 409105366 IUIQDMFFOCZEPE-ZROIWOOFSA-N 298.323 3.680 5 40 CHBB Nc1cccc(/C=C\C=C\c2cccc([N+](=O)[O-])c2)c1 8627519 NHUNDABYLZCVII-SOSXVSKCSA-N 266.300 3.904 5 40 CHBB Cc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 23030388 WAHLDGNLCJTHTP-OAHLLOKOSA-N 283.331 3.640 5 40 CHBB CC1(C)[C@@H]2CC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 104077882 SUZVZTQTTFHLJQ-KWCYVHTRSA-N 289.331 3.576 5 40 CHBB CC/C(=C/c1cccc([N+](=O)[O-])c1)c1ccncc1 1566860 DSZPOTNQNUSBCM-RAXLEYEMSA-N 254.289 3.940 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)sc2c1 1433322 GKFMHLGCYNFWPR-UHFFFAOYSA-N 256.286 3.872 5 40 CHBB CC(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 5498702 IYQKEBXVYGULBQ-UHFFFAOYSA-N 298.342 3.899 5 40 CHBB Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1[N+](=O)[O-] 5610969 NFOOEEKBUFGWBS-UHFFFAOYSA-N 296.326 3.644 5 40 CHBB CC(=O)OCCC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] 5431850 GRYDOKPJPSODRL-ATVHPVEESA-N 299.326 3.801 5 40 CHBB C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccncc1 252485323 GRGDOJSPBYZPHP-NSHDSACASA-N 294.314 3.711 5 40 CHBB CC(=O)Nc1cccc(/C=C\c2ccc([N+](=O)[O-])cc2)c1 5182263 AOEKZAHHKBUEDT-WAYWQWQTSA-N 282.299 3.724 5 40 CHBB CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 15538848 LPNSTEVYYKPWLW-CYBMUJFWSA-N 298.342 3.518 5 40 CHBB Cc1ccc([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])s1 89656312 SJMSRHJOCRLFAJ-JTQLQIEISA-N 292.360 3.521 5 40 CHBB CC(C)(C)OC(=O)Nc1c(Cl)cccc1[N+](=O)[O-] 95756235 YNBNZOOBBFXYAA-UHFFFAOYSA-N 272.688 3.595 5 40 CHBB CCCCCC[N+]1([O-])CC[N+]([O-])(CCCCCC)CC1 1586864 JCHHNNSRNNMSRV-UHFFFAOYSA-N 286.460 3.790 5 40 CHBB Cc1c([C@@H](C)NCc2ccsc2)cccc1[N+](=O)[O-] 89540478 FUQCNCDHLURYOX-LLVKDONJSA-N 276.361 3.816 5 40 CHBB Cc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 504577 QHFIWKLIEWYVQN-ZHACJKMWSA-N 296.326 3.864 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2773448 VSOKYPWMFFMTRA-SNVBAGLBSA-N 282.315 3.889 5 40 CHBB O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 1606137 HKFKBQGYOFOVFH-UHFFFAOYSA-N 276.679 3.501 5 40 CHBB O=C(Nc1cccc(Nc2ccccc2[N+](=O)[O-])c1)C1CC1 29526571 PNWFWFTWEMGNOZ-UHFFFAOYSA-N 297.314 3.687 5 40 CHBB CC(C)(C)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 8974493 BAXPIIROUSOSIY-UHFFFAOYSA-N 293.348 3.579 5 40 CHBB Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12 7943004 YYVUCDFRDWFSGV-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB CNc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1 1575393 HAKNOZPGWYJNQJ-UHFFFAOYSA-N 274.345 3.929 5 40 CHBB O=[N+]([O-])c1cc(-c2ccc(CO)o2)c(Cl)cc1Cl 8727980 WZMDCFJFZAJRLC-UHFFFAOYSA-N 288.086 3.654 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(O)c(Cc2ccccc2)c1 57352724 XYDIDOQLRKZTQI-UHFFFAOYSA-N 263.680 3.545 5 40 CHBB CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 15538847 LPNSTEVYYKPWLW-ZDUSSCGKSA-N 298.342 3.518 5 40 CHBB Cc1cc(F)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 157712016 UIUUEBNMYUYPHP-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB O=[N+]([O-])c1c2ccccc2c([N+](=O)[O-])c2ccccc12 4256853 XYPMAZCBFKBIFK-UHFFFAOYSA-N 268.228 3.809 5 40 CHBB Cc1cccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 12137791 OXOMAEVNQXPBDA-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 59351110 NYWITFNYJUOQSZ-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB CCCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 24501499 ARGHZJLYSVXONK-UHFFFAOYSA-N 298.342 3.729 5 40 CHBB O=[N+]([O-])c1ccc(N2CCCCC2)cc1C(F)(F)F 91252480 NJYITXUNPCFNEY-UHFFFAOYSA-N 274.242 3.604 5 40 CHBB O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)ccc1Cl 5615280 QKKDFVSYTUEESJ-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB Cc1cc(Cl)ccc1Oc1ncccc1[N+](=O)[O-] 132650 PVKUXWMLOZIQDP-UHFFFAOYSA-N 264.668 3.744 5 40 CHBB O=C(O)c1ccccc1SCc1ccc([N+](=O)[O-])cc1 5344650 RMGZARJADKQMMZ-UHFFFAOYSA-N 289.312 3.585 5 40 CHBB CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 5380797 OOGVSYRTFCUCKU-UHFFFAOYSA-N 284.743 3.507 5 40 CHBB Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)c1 40169741 QEKLPYSGZVVMGS-UHFFFAOYSA-N 294.314 3.664 5 40 CHBB Cc1ccc(-c2csc(NC3CC3)n2)cc1[N+](=O)[O-] 7274474 YOKBPOAAHKDUOZ-UHFFFAOYSA-N 275.333 3.601 5 40 CHBB Brc1ccc2nc3ccccc3nc2c1 32266384 CCFGYBQCAMTETL-UHFFFAOYSA-N 259.106 3.546 5 40 CHBB O=C(O)c1cc(-c2ccccc2)nc2cc([N+](=O)[O-])ccc12 1857793891 QBBRSPQZERTFNT-UHFFFAOYSA-N 294.266 3.508 5 40 CHBB Cc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 9324462 NOFUECWTKXQTKF-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB C[C@H]1CS[C@H](/C=C\c2ccccc2[N+](=O)[O-])S1 36019030 FSFJFWRVPPIIFR-OYJMHYPKSA-N 267.375 3.803 5 40 CHBB Cc1cc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2cc1C 1717126 JMZDHQKQYPBOSV-UHFFFAOYSA-N 267.288 3.755 5 40 CHBB Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] 43348187 BGNOLECQVKCMFZ-CMPLNLGQSA-N 291.351 3.603 5 40 CHBB C[n+]1ccc2cc(N)c3c4ccccc4sc3c2c1 1734966 BXBSSNORPCZEEZ-UHFFFAOYSA-O 265.361 3.614 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 100671246 XHMOJOKMAVMPLK-FXPVBKGRSA-N 294.738 3.623 5 40 CHBB CCCCc1cc(=O)oc2c(C)c3occc(=O)c3cc12 12899154 MBGAAZZNIQQTHY-UHFFFAOYSA-N 284.311 3.550 5 40 CHBB biogenic O=[N+]([O-])c1ccc(-c2ccc(Br)o2)cc1 502361 HYOCPYUJLQDUPH-UHFFFAOYSA-N 268.066 3.617 5 40 CHBB CC(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] 4697329 JMJGTAJCIPQMSZ-JEBQAFNWSA-N 297.354 3.808 5 40 CHBB O=[N+]([O-])c1ccc2oc(-c3cccc(F)c3)nc2c1 73642138 ASABXOPEEBXDPP-UHFFFAOYSA-N 258.208 3.542 5 40 CHBB O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2Cl)nc1 22798199 DYIPXPJCFIQNCT-UHFFFAOYSA-N 298.129 3.909 5 40 CHBB Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 45891193 LTRVHHHFLBGPDD-UHFFFAOYSA-N 269.732 3.575 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 5793168 KXZNSWGEQJMVMF-NSHDSACASA-N 294.351 3.758 5 40 CHBB CC1(C)[C@]2(C)CC[C@@]1(c1ccc([N+](=O)[O-])cc1)CC2=O 225805334 FPJABZZCPUKZSM-CVEARBPZSA-N 273.332 3.632 5 40 CHBB CC(C)c1ccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 226292691 QDSCZDPWIMNQLH-MRXNPFEDSA-N 271.316 3.800 5 40 CHBB O=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(Cl)c1 566821 OENDCHAHRBHCQO-UHFFFAOYSA-N 291.690 3.640 5 40 CHBB O=C(Nc1cccc(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] 288780 UFTANIJVRWWHRH-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 3445760 UMMYCBCQCIIJQB-UHFFFAOYSA-N 291.690 3.510 5 40 CHBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 5980894 FOOLTHKVLXBZQI-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cc2ccccc2)c1O 57352722 UUSXPOKEASOMNW-UHFFFAOYSA-N 263.680 3.545 5 40 CHBB Nc1cc(Cl)cc2[nH]c(=O)c3cc(Cl)ccc3c12 17021234 VYWBCMNLAQBKAQ-UHFFFAOYSA-N 279.126 3.570 5 40 CHBB Cc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c(C)c1 12082681 LCJLYXJHIPUFJD-UHFFFAOYSA-N 294.314 3.898 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(F)(F)F 2540388 DRNXQIODJPOKFO-UHFFFAOYSA-N 275.104 3.512 5 40 CHBB O=[N+]([O-])c1cc2ccsc2cc1Br 1857794444 FKWQEJSSBXCMRZ-UHFFFAOYSA-N 258.096 3.572 5 40 CHBB Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl 4739850 BWLWFTYUJPBAPC-UHFFFAOYSA-N 263.684 3.695 5 40 CHBB Cc1c2cc[n+]([O-])cc2c(C)c2c1oc1ccccc12 5048985 JSWKLJVGXKJYBJ-UHFFFAOYSA-N 263.296 3.989 5 40 CHBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3S2)c1 797353 QHPVFNQHUFOWSH-CYBMUJFWSA-N 258.302 3.811 5 40 CHBB CCc1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1 6803226 UHIKEBPLJKYXKA-UHFFFAOYSA-N 282.303 3.549 5 40 CHBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 68968262 QQTPZKPDIWFMBN-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB C[C@@H]1Cc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 15255390 LCZSCWYMAIXKRY-GFCCVEGCSA-N 268.316 3.546 5 40 CHBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc12 73639441 CVVZSAHDRIBXCI-UHFFFAOYSA-N 272.235 3.851 5 40 CHBB O=c1[nH]c2cc3c(cc2n2cccc12)oc1ccccc13 5464049 UZHBLXOMWRPKHX-UHFFFAOYSA-N 274.279 3.680 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 43148787 HNUHBCFHESIMEW-ZYHUDNBSSA-N 291.351 3.603 5 40 CHBB O=[N+]([O-])c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 21005463 QCXADLHRCDNXPB-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB CCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-] 1817437 CAMTZVIHNVNLPM-UHFFFAOYSA-N 297.314 3.698 5 40 CHBB CCc1ccc(NC(=O)CC(C)(C)C)cc1[N+](=O)[O-] 27317857 GCSLPHRJBBWRSX-UHFFFAOYSA-N 264.325 3.532 5 40 CHBB CCCCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C 2088091 BZIXNMGZFNZGEN-NSHDSACASA-N 278.352 3.602 5 40 CHBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cc2ccccc2o1 45438530 VYESTICGZMOIBJ-SNVBAGLBSA-N 283.287 3.909 5 40 CHBB O=C(Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 169800351 XTBMNVUXLHWQOZ-UHFFFAOYSA-N 275.691 3.674 5 40 CHBB Cc1cc(Oc2nccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] 40520053 YTGGRARKUUMHMV-UHFFFAOYSA-N 299.208 3.504 5 40 CHBB CC(C)(C)c1nnc(SCc2ccccc2[N+](=O)[O-])o1 48601377 SDSZFPMCVXCKEB-UHFFFAOYSA-N 293.348 3.568 5 40 CHBB CC(C)c1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 226291438 FGVUQYLUPPYTQI-MRXNPFEDSA-N 271.316 3.800 5 40 CHBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1)N2 7096537 NDWLQARHOCEQCI-XOKHGSTOSA-N 296.326 3.839 5 40 CHBB CC1(C)[C@@H]2CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 104077877 SUZVZTQTTFHLJQ-XBFCOCLRSA-N 289.331 3.576 5 40 CHBB CC(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1 3098619 DOOHAXXCXQITRO-UHFFFAOYSA-N 288.328 3.704 5 40 CHBB C[C@@](Cc1ccccc1)(c1ccccc1)[N+](C)(C)C 6491046 FLJWMWBRLCXEMH-GOSISDBHSA-N 254.397 3.851 5 40 CHBB O=[N+]([O-])c1ccc(N[C@H](CCCO)c2ccccc2)cc1 72293901 UJZZBFDWQMJRGA-MRXNPFEDSA-N 286.331 3.521 5 40 CHBB Cc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 226291924 GQEKMJPUMFXCDN-MRXNPFEDSA-N 271.316 3.602 5 40 CHBB CCOC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 73640225 GIHSOPQTIQRPFK-UHFFFAOYSA-N 295.678 3.685 5 40 CHBB O=[N+]([O-])c1cccc([C@H](O)c2cccc3ccccc23)c1 226294202 YCESYDZRLGIGKH-KRWDZBQOSA-N 279.295 3.830 5 40 CHBB CC(C)O[C@@H]1C[C@H]2CCCC[N@@+]2(Cc2ccccc2)O1 253589761 VSJOUNZXFBUJJJ-SQNIBIBYSA-N 276.400 3.642 5 40 CHBB C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1Cl 32935518 ZGMOKCNCVYSHGI-NSHDSACASA-N 297.786 3.535 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 1597101 DFCMFIKQNUYHQA-UHFFFAOYSA-N 294.650 3.949 5 40 CHBB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 59239581 DNZMCMMUKMKYFH-UHFFFAOYSA-N 292.379 3.848 5 40 CHBB Cc1nc(SCc2ccc([N+](=O)[O-])cc2)nc(C)c1C 3420708 FFVORIRLGDPWLY-UHFFFAOYSA-N 289.360 3.602 5 40 CHBB O=C(O)c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 3913789 QILUVXNLFGVPTD-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB CC1(C)[C@H]2CC[C@@]1(C)c1nc3ccc([N+](=O)[O-])cc3nc12 100749305 TXGIVGINCWKAMP-QFYYESIMSA-N 283.331 3.713 5 40 CHBB CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(OC)cc1 23057048 SWHBRTAMSLPHSS-CYBMUJFWSA-N 287.319 3.562 5 40 CHBB Cc1cc(C(C)(C)C)cc(C)c1Cn1cc([N+](=O)[O-])cn1 58377485 MKUDPHGJVMSSPF-UHFFFAOYSA-N 287.363 3.754 5 40 CHBB CCCC[C@H](O)C[N+]1(C)CCC(c2ccccc2)CC1 4105176 MHWYGCIFNHGSIT-XBMUEBEBSA-N 276.444 3.562 5 40 CHBB O=[N+]([O-])c1ccccc1OCc1ncc(-c2ccccc2)o1 7169207 SQMXWYDRMMTETA-UHFFFAOYSA-N 296.282 3.829 5 40 CHBB C[C@H]1CCCCN1c1c(Cl)cccc1[N+](=O)[O-] 45958991 XFKSBQRHOQGONE-VIFPVBQESA-N 254.717 3.627 5 40 CHBB O=[N+]([O-])c1ccc(OCCSc2ccccc2)cc1 1568754 WQDISBZWJZIXEJ-UHFFFAOYSA-N 275.329 3.766 5 40 CHBB O=[N+]([O-])c1cccc(OCCCc2ccccc2)c1 1749518 NHTKSTJQEUKNOS-UHFFFAOYSA-N 257.289 3.606 5 40 CHBB Cc1ccc(NC(=S)NC2CCCCC2)cc1[N+](=O)[O-] 5337680 YXOYSESGBGOIHG-UHFFFAOYSA-N 293.392 3.522 5 40 CHBB Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c(C)c1 21507553 GHZXEWSULHYAJC-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB CC1(C)O[C@H](c2ccc([N+](=O)[O-])o2)Nc2ccccc21 34132223 RRNLJVVCMGCOLT-CYBMUJFWSA-N 274.276 3.564 5 40 CHBB CCCC[C@@H](CC)CNC(=O)c1ccc([N+](=O)[O-])cc1 3071620 XYLYSNQGXATQBX-GFCCVEGCSA-N 278.352 3.541 5 40 CHBB Cc1ccc(-c2csc([C@H]3CCCO3)n2)cc1[N+](=O)[O-] 136487665 OPSWMKQLBQFYJN-CYBMUJFWSA-N 290.344 3.878 5 40 CHBB Cc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 45888446 UCSZCNOQEQWBSC-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CCOC(=O)/C=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1 1748079 XEKGHLBHNMAJKY-FOWTUZBSSA-N 297.310 3.590 5 40 CHBB C[C@@H]1Cc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 8119038 BZBGWGUYKSDSSD-GFCCVEGCSA-N 268.316 3.546 5 40 CHBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc2c(c1)OCO2 32826054 CKHGUOBZERBVKQ-UHFFFAOYSA-N 293.662 3.769 5 40 CHBB O=[N+]([O-])c1cc(Oc2ccccc2[N+](=O)[O-])ccc1Cl 3029999 OKADGCPXBSJYDT-UHFFFAOYSA-N 294.650 3.949 5 40 CHBB Cc1cc2cc(Nc3ncccc3[N+](=O)[O-])ccc2[nH]1 32923430 YWTLJUAWIYWCBQ-UHFFFAOYSA-N 268.276 3.523 5 40 CHBB Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 344754 VRTUZVNBSOBGMW-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Cc1c(NC(=O)/C=C/c2ccsc2)cccc1[N+](=O)[O-] 12621638 PFRLGZRNHRLGPW-AATRIKPKSA-N 288.328 3.617 5 40 CHBB CC(=O)Nc1cc(C)nc2c1ccc1ccccc12 40384435 FRVNAVWILLPTDV-UHFFFAOYSA-N 250.301 3.655 5 40 CHBB O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl 260854 ZMNABCUFGXASJV-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1Cl 7044752 RQQZBLDNDZDVNR-UHFFFAOYSA-N 299.113 3.876 5 40 CHBB O=C(CCC1CCCC1)Nc1ccc([N+](=O)[O-])c(F)c1 17008218 DIIUIRQBXLSJPN-UHFFFAOYSA-N 280.299 3.643 5 40 CHBB C[C@@]1(c2ccc(C[N+](C)(C)C)cc2)OCc2ccccc21 4795620 YGBVBOZPBOHIKR-IBGZPJMESA-N 282.407 3.687 5 40 CHBB Cc1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] 75629384 PTXCYVILQCXMCZ-UHFFFAOYSA-N 255.142 3.557 5 40 CHBB CCOc1cc(C)c2c(c1)oc(=O)c1ccccc12 42651 JDFBJJUGDHBQJX-UHFFFAOYSA-N 254.285 3.653 5 40 CHBB biogenic CC[N+](C)(CC)CCC[C@@H](C)[N+]1(C)C[C@H]2CCCC[C@@H]2C1 4792430 LSEJDYDMALMADN-GUDVDZBRSA-N 296.543 3.908 5 40 CHBB CC[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CC 6115788 BCEJQVARPFUUKC-CHWSQXEVSA-N 292.379 3.563 5 40 CHBB O=c1[nH]c2ccc(Cl)cc2c2[nH]c3ccccc3c12 17111355 JBWNGLUFOQPPBL-UHFFFAOYSA-N 268.703 3.816 5 40 CHBB O=[N+]([O-])c1cc(NC(=S)Nc2ccccc2)ccc1F 6276904 CQAFYLHOQKRHNS-UHFFFAOYSA-N 291.307 3.543 5 40 CHBB CC(C)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 2790533 JGPYPQHRFPGRQJ-UHFFFAOYSA-N 298.342 3.899 5 40 CHBB CCC[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@@H]1CC 4706180 YXYUHCQYBBQVNQ-CQDKDKBSSA-N 279.336 3.835 5 40 CHBB O=C(COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 7610236 XZWMTAFELIDGSN-UHFFFAOYSA-N 291.690 3.510 5 40 CHBB O=[N+]([O-])c1ccc2oc(-c3ccccc3F)nc2c1 6222525 YWQLZHAYPYQWKE-UHFFFAOYSA-N 258.208 3.542 5 40 CHBB CC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 9423872 NAKFPOSLTHEIFN-UHFFFAOYSA-N 289.338 3.635 5 40 CHBB O=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)cc1 36719632 DXLUEKWTNGVEIZ-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB CC(C)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 19873594 QWKZXOSMZWNWCC-UHFFFAOYSA-N 271.320 3.725 5 40 CHBB O=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)CCc1ccccc1 5181885 PWGUASFROBOVCP-NTCAYCPXSA-N 297.310 3.696 5 40 CHBB CCOC(=O)/C=C(/c1ccccc1)c1ccc([N+](=O)[O-])cc1 17039663 XEKGHLBHNMAJKY-VBKFSLOCSA-N 297.310 3.590 5 40 CHBB Cc1c(NC(=O)N[C@@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] 43346267 BBRFVGMZJQFZBR-CMPLNLGQSA-N 291.351 3.603 5 40 CHBB Cc1noc(/C=C/c2ccc(OC(C)C)cc2)c1[N+](=O)[O-] 408544590 VCPZFCDADLMYOX-RMKNXTFCSA-N 288.303 3.849 5 40 CHBB Oc1c(Cl)c2ccccc2n2c1nc1ccccc12 1314836 LSYGWBTWODHSLF-UHFFFAOYSA-N 268.703 4.000 5 40 CHBB COc1ccc2nc3c(cc2c1)c(=O)oc1ccccc13 382987 FSZGYVHMKUOTJL-UHFFFAOYSA-N 277.279 3.503 5 40 CHBB C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 59928396 RPWMKKNQRGZJHH-QMMMGPOBSA-N 296.685 3.922 5 40 CHBB CCCN(C(=O)c1occc1C)c1cccc([N+](=O)[O-])c1 194141530 ZUMHUVHCGRJHPI-UHFFFAOYSA-N 288.303 3.553 5 40 CHBB O=[N+]([O-])c1ccc2c(ccc3sc4ccccc4[n+]32)c1 1870592 KZSSUNYIALKHLQ-UHFFFAOYSA-N 281.316 3.701 5 40 CHBB Cc1cc(C)c([N+](=O)[O-])c(-c2cc3ccccc3oc2=O)c1 216937461 RFXSBCJGYHUTEE-UHFFFAOYSA-N 295.294 3.985 5 40 CHBB CSc1ncc2c(=O)c3c(ccc4ccccc43)oc2n1 1573004 AYVOQLLBQSTTBE-UHFFFAOYSA-N 294.335 3.611 5 40 CHBB Cc1cccc(-c2noc(Cc3ccccc3[N+](=O)[O-])n2)c1 4685174 NFVQHFLQXGZTJN-UHFFFAOYSA-N 295.298 3.544 5 40 CHBB O=[N+]([O-])c1cccnc1Sc1nc2ccccc2s1 480182 BDUCPDJPRHVCPL-UHFFFAOYSA-N 289.341 3.751 5 40 CHBB O=[N+]([O-])c1cc(Cl)c2oc(-c3ccc(O)cc3)nc2c1 236897 SCSXTTILQYVPBV-UHFFFAOYSA-N 290.662 3.762 5 40 CHBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)o2)cc1 332129 MIGJDQILNYBSEU-UHFFFAOYSA-N 299.311 3.796 5 40 CHBB CC1=C[P@@](=O)(Oc2ccc([N+](=O)[O-])cc2)CC1 1719975 FWTCGJCRBFFNHF-KRWDZBQOSA-N 253.194 3.559 5 40 CHBB CSc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 43209743 TXUZCFMYZGWEJJ-UHFFFAOYSA-N 273.313 3.548 5 40 CHBB Brc1cccc2nc3ccccc3nc12 72220768 RKBWIDHPFRZHOU-UHFFFAOYSA-N 259.106 3.546 5 40 CHBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)cc1 23380776 YKBQFTNWONJQNX-UHFFFAOYSA-N 281.315 3.731 5 40 CHBB Cc1c(C(=O)NC2CCCCCCC2)cccc1[N+](=O)[O-] 5724485 JXNZPKMUQSXHHT-UHFFFAOYSA-N 290.363 3.746 5 40 CHBB Cc1ccc(CNCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 58166887 INDHNFGBXCUEJQ-UHFFFAOYSA-N 290.750 3.846 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC/C=C/CC[C@@H]12 101362005 RFBTVNSAFANRSG-FEDHDSKHSA-N 286.331 3.526 5 40 CHBB O=[N+]([O-])c1ccc(OC(F)(F)Cl)cc1C(F)(F)F 95215713 JREZAMRJBMNNJU-UHFFFAOYSA-N 291.559 3.782 5 40 CHBB Cc1c(NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 485148 LKDWEYMFPCPVSI-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CC[N+](CC)(CC)CCCC(F)(F)C(F)(F)F 98210537 GNHQSJMGDKXJOC-UHFFFAOYSA-N 262.286 3.841 5 40 CHBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1cccc(Cl)c1 15172061 CJXDMQWLRHYHOE-VIFPVBQESA-N 277.711 3.816 5 40 CHBB COc1cc([N+](=O)[O-])c(OC)cc1Sc1ccccc1 72193769 LGPQWKFRRAMIFJ-UHFFFAOYSA-N 291.328 3.763 5 40 CHBB CSc1cc2c(cc1[N+](=O)[O-])C(=O)c1ccccc1-2 1701576 ICUKYFFDTZKTLQ-UHFFFAOYSA-N 271.297 3.528 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1cccc([N+](=O)[O-])c1 5591067 HQIDDGNIYFVEFO-LLVKDONJSA-N 264.325 3.750 5 40 CHBB CCOc1cccc2nc3cc(CC)ccc3nc12 76495059 UTFXCNCATUPZAD-UHFFFAOYSA-N 252.317 3.744 5 40 CHBB CC(C)[C@H](c1ccccc1)[C@H](O)CC[N+]1(C)CCCCC1 1747999 SMOSFFGOYXWICC-RTBURBONSA-N 290.471 3.808 5 40 CHBB in-man CCC[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1CC 4706178 YXYUHCQYBBQVNQ-UGFHNGPFSA-N 279.336 3.835 5 40 CHBB CC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 38080395 AKTYBXOZAHDBBI-UHFFFAOYSA-N 257.245 3.590 5 40 CHBB COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1 1578887 RDBUEZAMXPXNRH-UHFFFAOYSA-O 291.374 3.924 5 40 CHBB O=[N+]([O-])c1ccc2cc(Br)c(Cl)nc2c1 39045649 AAMUURCEDXGFGI-UHFFFAOYSA-N 287.500 3.559 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1C 40095741 QVUGAESWPVYOOJ-ZWNOBZJWSA-N 291.351 3.603 5 40 CHBB CC(C)(C)CC(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] 79046004 ROFKAXGIHJDNJS-UHFFFAOYSA-N 280.368 3.605 5 40 CHBB Cc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1C 21790683 HUXNCTBKQSHSJW-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB CC(C)C(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C 113933024 XILWSRXADWXPJD-UHFFFAOYSA-N 298.770 3.659 5 40 CHBB O=[N+]([O-])c1cnc2cc(Cl)ccc2c1Br 1776011373 URUSFGPBFQIGNN-UHFFFAOYSA-N 287.500 3.559 5 40 CHBB O=[N+]([O-])C=Cc1cccc(OCc2ccccc2)c1 1857524538 XFBMDILDMJAPDU-UHFFFAOYSA-N 255.273 3.513 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@@H](C)C1 226315584 OLMHLKZXNPGLTK-TXEJJXNPSA-N 262.353 3.640 5 40 CHBB Cc1cc(C)cc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)c1 16269233 CGBHQFZYMRMVFP-UHFFFAOYSA-N 298.342 3.897 5 40 CHBB O=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 2555752 AVGYAFMBCXTPJQ-UHFFFAOYSA-N 277.663 3.853 5 40 CHBB O=[N+]([O-])[C@@H]1[C@H](c2ccc(Cl)cc2Cl)[C@@H]2C=C[C@H]1C2 5889041 DAIZNWRWPDYRFJ-HTEOGMQZSA-N 284.142 3.928 5 40 CHBB O=c1[nH]c(-c2ccccc2)nc2cc3ccccc3cc12 73754137 PAHPOGJQVHIJDO-UHFFFAOYSA-N 272.307 3.743 5 40 CHBB O=c1c2ccccc2oc2cc3c(c(O)c12)CCCC3 5665432 KOPHPPXQHXENLP-UHFFFAOYSA-N 266.296 3.531 5 40 CHBB CCN(CC)c1c(C)cc([N+](=O)[O-])cc1Br 45958910 RXUZLOMCBKIQLQ-UHFFFAOYSA-N 287.157 3.512 5 40 CHBB O=[N+]([O-])C[C@@H](c1cccs1)c1c[nH]c2ccccc12 3278419 WQMAXEWGZZQYED-GFCCVEGCSA-N 272.329 3.638 5 40 CHBB Cc1ccc(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)S2)cc1 4179975 XAODRSWTRYJLPG-OAHLLOKOSA-N 299.355 3.600 5 40 CHBB Cc1cc(F)ccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 157712485 XRDZUMCUVPGTHS-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB CC1(C)O[C@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc21 98183 JRTALLWKVCDUAQ-OAHLLOKOSA-N 284.315 3.971 5 40 CHBB CC1=C[P@](=O)(Oc2ccc([N+](=O)[O-])cc2)CC1 5497735 FWTCGJCRBFFNHF-QGZVFWFLSA-N 253.194 3.559 5 40 CHBB Cc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=O)o1 5959676 CNPLMWIQRPTATC-UHFFFAOYSA-N 265.652 3.629 5 40 CHBB CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 3431072 FOWIEYIELGOHOW-UHFFFAOYSA-N 274.276 3.564 5 40 CHBB O=c1[nH]c2nc(-c3ccccc3)ccc2c2ccccc12 12597354 UECNTYGDZFCUOI-UHFFFAOYSA-N 272.307 3.743 5 40 CHBB CCCCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C 2088090 BZIXNMGZFNZGEN-LLVKDONJSA-N 278.352 3.602 5 40 CHBB O=[N+]([O-])c1c(F)cccc1N[C@@H](c1nccs1)C1CC1 95972049 BNQPXVHLWSOSGS-LLVKDONJSA-N 293.323 3.754 5 40 CHBB CC(C)COc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225277129 DQJOGRIFIQDNCB-UHFFFAOYSA-N 279.336 3.740 5 40 CHBB CC1CCN(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 4771233 HMEIUERFMDBDCW-UHFFFAOYSA-N 297.742 3.512 5 40 CHBB C[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 1621352 ONJNGXXZZLUSKY-ZJRDLVKKSA-N 282.516 3.520 5 40 CHBB in-vitro Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 3103902 NGFHCPVAONQMTN-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB O=[N+]([O-])c1ccc(N2CC=C(c3ccccc3)CC2)cc1 5688660 NPOPOOXEDSLDOV-UHFFFAOYSA-N 280.327 3.889 5 40 CHBB CC(C)(C)NC(=O)Nc1cc2cccnc2c2cccnc12 33684221 KPVUBCVBQMQINM-UHFFFAOYSA-N 294.358 3.703 5 40 CHBB Cc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-] 14986295 RZPBXYJIVKCICH-UHFFFAOYSA-N 284.031 3.685 5 40 CHBB CCOc1cccc2nc3cccc(OCC)c3nc12 76495084 JDIGRVOCFDOHSV-UHFFFAOYSA-N 268.316 3.580 5 40 CHBB Cc1ccc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])c(C)c1 242761 KSJREMQRDPYEMQ-FOCLMDBBSA-N 295.294 3.576 5 40 CHBB COc1ccc([N+](=O)[O-])cc1OCc1ccccc1Cl 6127146 MALRAVWYOGVAGZ-UHFFFAOYSA-N 293.706 3.836 5 40 CHBB COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3o2)cc1 7717444 FKBLNLOXDNDABP-RUDMXATFSA-N 296.282 3.915 5 40 CHBB CC(=O)OCC(=O)c1c2ccccc2cc2ccccc12 575356834 CSWVSMKDCZHKPV-UHFFFAOYSA-N 278.307 3.739 5 40 CHBB O=C(OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])o1 3343795 XSUREDXJMVLHPB-UHFFFAOYSA-N 297.266 3.698 5 40 CHBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc21 8808195 FPGDBITYKAHUQF-UHFFFAOYSA-N 299.355 3.774 5 40 CHBB CCOc1ccc2nc(Cl)c([N+](=O)[O-])c(Cl)c2c1 95098228 ZRMYUEVGQNFSBW-UHFFFAOYSA-N 287.102 3.849 5 40 CHBB OC[C@@H]1CCC[N+]2(Cc3ccc(Cl)cc3)CCCC[C@H]12 4083840 IJDFDCJKZVZTEL-NADDXPSSSA-N 294.846 3.612 5 40 CHBB CC(C)N(C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 3305498 IECYSRONWMAWKC-UHFFFAOYSA-N 290.344 3.712 5 40 CHBB CCc1cc([N+](=O)[O-])cc(Br)c1N1CCCC1 226315360 AJXYQTDEWBSDQJ-UHFFFAOYSA-N 299.168 3.520 5 40 CHBB CC(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 6552343 SJMDWSXWEWWIPM-UHFFFAOYSA-N 276.336 3.932 5 40 CHBB O=[N+]([O-])c1cc(Br)c2ccccc2c1 1600008 KXCNOTIUELQJIZ-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB CSc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 1740727 SQYRYNBSBUDMPN-UHFFFAOYSA-N 288.328 3.569 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(F)c1 1753336 ITDLGYNNVUOGDE-UHFFFAOYSA-N 289.266 3.686 5 40 CHBB C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 6481043 WAIJUEWPVNPXKS-VIFPVBQESA-N 297.742 3.655 5 40 CHBB Cc1ccc([N+](=O)[O-])c(NC(=O)NC2CCCCC2)c1C 6922724 LPXJEFFNDCDPTE-UHFFFAOYSA-N 291.351 3.666 5 40 CHBB O=[N+]([O-])c1ccc(OC(F)(F)Cl)c(C(F)(F)F)c1 95215541 SNRZXQDPLDRRLI-UHFFFAOYSA-N 291.559 3.782 5 40 CHBB Nc1cccc(/C=C/C=C/c2cccc([N+](=O)[O-])c2)c1 1701934 NHUNDABYLZCVII-IJIVKGSJSA-N 266.300 3.904 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1NCCC1=CCCCC1 218480842 LLRKGDDONRKQGU-UHFFFAOYSA-N 290.319 3.595 5 40 CHBB O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)nc1 535596 GZDGQCDDMQWCCC-UHFFFAOYSA-N 283.312 3.689 5 40 CHBB CN(C)C[C@H](O)c1cc2ccccc2c2ccccc12 1577093 JSDURIUUFTVTBB-SFHVURJKSA-N 265.356 3.588 5 40 CHBB C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 216766829 CSHJPWHAZDATNS-NXEZZACHSA-N 268.744 3.731 5 40 CHBB Cc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 60242 DUZVQQBTJVHNKM-ZHACJKMWSA-N 282.299 3.555 5 40 CHBB CC1=C(C)C[C@@H](C(Cl)(Cl)Cl)[C@@H]([N+](=O)[O-])C1 1727210 KAAJPPVVQNWGJG-SFYZADRCSA-N 272.559 3.748 5 40 CHBB COc1ccccc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 2431537 KKSZVUGVKVEOAK-HNNXBMFYSA-N 296.326 3.585 5 40 CHBB O=C1c2ccccc2-c2ccc([N+](=O)[O-])c3cccc1c23 4370589 QAJOWHGESRCVLY-UHFFFAOYSA-N 275.263 3.959 5 40 CHBB biogenic,in-vitro Cc1ccc(C)c(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1 20003107 KOWAYRHXBWYGIN-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2ccccc21 409114350 JGHWGZMHHZCEOS-PTNGSMBKSA-N 294.310 3.502 5 40 CHBB Cn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21 4124778 OEBSQOZGZHYXPE-UHFFFAOYSA-N 252.273 3.754 5 40 CHBB Cc1c(-c2cc3ccccc3oc2=O)cccc1[N+](=O)[O-] 20160550 KDCJPGGKISTYSC-UHFFFAOYSA-N 281.267 3.677 5 40 CHBB CC[N+](C)(CC)CCOc1cc(C)ccc1C(C)C 1688455 NAODNBGMXRQKRU-UHFFFAOYSA-N 264.433 3.984 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc2cc(Br)cnc12 13222636 COVFYLACFRNJLF-UHFFFAOYSA-N 287.500 3.559 5 40 CHBB Nc1scc2c1c(=O)oc1ccc3ccccc3c12 23780 QOEGPEVCFJHTCX-UHFFFAOYSA-N 267.309 3.743 5 40 CHBB CCN(CC)c1ccc2nc3ccccc3[n+](CC)c2c1 4159281 RWONEIZBYKDODF-UHFFFAOYSA-N 280.395 3.542 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N(C)C1CCCCC1 216788241 WYPZRUNGXFCVQW-UHFFFAOYSA-N 262.353 3.926 5 40 CHBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 3317237 POWCXBRKFDUZKE-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB O=c1[nH]c2cc(Cl)ccc2c2ccc(Cl)cc12 17380298 ULVYYNCKNGTVHX-UHFFFAOYSA-N 264.111 3.988 5 40 CHBB O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 4419296 QYJNHEVAXNCZEE-UHFFFAOYSA-N 283.209 3.752 5 40 CHBB CC(C)(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 373110 IDMNDZUOUXZBOX-UHFFFAOYSA-N 270.716 3.623 5 40 CHBB O=c1c2ccc3c4c(ccc(c42)c2nc4ccccc4n12)CC3 13234060 TUBISCCLOAAUTH-UHFFFAOYSA-N 296.329 3.691 5 40 CHBB O=[N+]([O-])c1ccc2oc(CSCc3ccco3)nc2c1 83090390 WKRQXBJSEIWTPB-UHFFFAOYSA-N 290.300 3.762 5 40 CHBB C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Br 226316757 YFNGZAAQSPRILG-SECBINFHSA-N 299.168 3.736 5 40 CHBB CC1(C)CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 1700447 TYBFQAQYBSJYDV-ZDUSSCGKSA-N 277.320 3.720 5 40 CHBB CCCc1n(O)c2c3ccccc3c3ccccc3c2[n+]1[O-] 6462502 NCHJUFCOJLPHNK-UHFFFAOYSA-N 292.338 3.771 5 40 CHBB Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 8266333 QRNZCUHRTFARHU-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB CC1=C(C)C[C@@H]([N+](=O)[O-])[C@@H](C(Cl)(Cl)Cl)C1 1727207 KAAJPPVVQNWGJG-JGVFFNPUSA-N 272.559 3.748 5 40 CHBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1cc2ccccc2o1 26759476 FOIUYZHMNBQWMJ-JTQLQIEISA-N 283.287 3.909 5 40 CHBB Cc1cccc(CNc2cc([N+](=O)[O-])ccc2C)c1 9379361 GNDXHMMAAMSERL-UHFFFAOYSA-N 256.305 3.824 5 40 CHBB O=C(CCC1CCCCC1)Nc1cc([N+](=O)[O-])ccc1O 20028307 MRGCFCUFFBBWIP-UHFFFAOYSA-N 292.335 3.599 5 40 CHBB Cc1ccc(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1787436 KFGIUFKOQACLCB-MDZDMXLPSA-N 297.310 3.660 5 40 CHBB Cc1cc(NC(=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1C 95471000 VAOGJPUFUICQPX-CYBMUJFWSA-N 298.342 3.954 5 40 CHBB CCCC[n+]1cccc([C@@H]2CCC[N+]2(C)CCCC)c1 1718365 MSKARMXXRYUKSJ-LROBGIAVSA-N 276.468 3.856 5 40 CHBB COc1ccc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 4900457 GFAZKGFWSGMOHY-HOTGVXAUSA-N 269.300 3.875 5 40 CHBB C[N+]1(CCC(=O)c2ccccc2)CC[C@@H]2CC[C@@H](C2)C1 4934816 CRFHUZSZRWPLEA-NRAVZPKASA-N 272.412 3.526 5 40 CHBB in-vitro CN(c1ccc([N+](=O)[O-])c2cnccc12)C1CCCCC1 15174159 GCCYLZSDMQQLKI-UHFFFAOYSA-N 285.347 3.912 5 40 CHBB CCOC(=O)c1cnc2c(ccc3ncccc32)c1Cl 13283843 YSOGNRFJPSGWBD-UHFFFAOYSA-N 286.718 3.613 5 40 CHBB CC[N+](C)(CC)CCC[C@@H](C)[N+]1(C)C[C@H]2CCCC[C@H]2C1 4792429 LSEJDYDMALMADN-BTXHWTSGSA-N 296.543 3.908 5 40 CHBB Cc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 225990703 GGKHZKXLHQHSMK-UHFFFAOYSA-N 296.326 3.574 5 40 CHBB C[C@H](c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 642882454 AZCRHADOZSXKCV-LLVKDONJSA-N 294.314 3.532 5 40 CHBB CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 305099 FSSFCAMVJVCOMW-UHFFFAOYSA-N 296.754 3.653 5 40 CHBB O=[N+]([O-])c1cccc2ccc(Br)cc12 345688 BGPCNRRMNRNIFR-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 1514021 MVUVFJQTTAIWDX-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB Cc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 505704 PJMDACHXUGTUAJ-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Nc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccccc12 5640789 VRZSQKQGYWXODL-YVMONPNESA-N 291.310 3.896 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1N1CCc2ccccc21 252499988 SLFVTPLWVYPGAR-UHFFFAOYSA-N 254.289 3.597 5 40 CHBB CC1(C)[C@]2(C)CC[C@]1(c1ccc([N+](=O)[O-])cc1)CC2=O 225805368 FPJABZZCPUKZSM-HZPDHXFCSA-N 273.332 3.632 5 40 CHBB O=C(Oc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 38473 PWWPQNHBTPHOHS-UHFFFAOYSA-N 293.278 3.967 5 40 CHBB O=C(Nc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 5683978 IHYROBPHCJMAJR-UHFFFAOYSA-N 291.694 3.892 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H](C)C1 43148785 HNUHBCFHESIMEW-JQWIXIFHSA-N 291.351 3.603 5 40 CHBB Cc1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 30823314 HVIDHJZOKAMEAB-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB CSc1nc2ccccc2c2nc3ccccc3n12 424510 UEKHKTWLEZZJCQ-UHFFFAOYSA-N 265.341 3.758 5 40 CHBB CC(C)[C@H](c1ccccc1)[C@@H](O)CC[N+]1(C)CCCCC1 1748002 SMOSFFGOYXWICC-RBUKOAKNSA-N 290.471 3.808 5 40 CHBB in-man CCc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 5477430 NRGVIKWWCOCMLS-UHFFFAOYSA-N 298.342 3.647 5 40 CHBB CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 6121953 AATBZRQBOJGWNZ-NSHDSACASA-N 296.754 3.653 5 40 CHBB C[N+](C)(CCCCCC[N+](C)(C)CC1CC1)CC1CC1 526051554 OYBIVZRWINMJQQ-UHFFFAOYSA-N 282.516 3.520 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1ccccc1[N+](=O)[O-] 5951704 DCKREJFMWYVHDU-LLVKDONJSA-N 264.325 3.750 5 40 CHBB Cc1cn(-c2ccc([N+](=O)[O-])cc2Cl)nc1C(F)F 575441630 NDQJMOOKEYCDRY-UHFFFAOYSA-N 287.653 3.680 5 40 CHBB CCC(CC)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 20096613 LZQRYVIZZAWDTO-UHFFFAOYSA-N 261.281 3.548 5 40 CHBB Cc1ccccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3262974 AOIHRVMWRFXANZ-DHZHZOJOSA-N 283.283 3.522 5 40 CHBB O=[N+]([O-])c1cc(-n2cccc2)ccc1N1CCCCCC1 4248046 CZPQOYSVXJPPPC-UHFFFAOYSA-N 285.347 3.766 5 40 CHBB Cc1cc(F)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 6260191 FHJVJWDRQPVEMD-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB COc1cc([N+](=O)[O-])c(OC)cc1Oc1ccc(F)cc1 32826032 XZZRDGWFGDTREP-UHFFFAOYSA-N 293.250 3.543 5 40 CHBB CC(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 35018428 URMUALHBWYIXES-UHFFFAOYSA-N 286.331 3.994 5 40 CHBB COC(=O)c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 40541584 DXLATALJSGDZLE-UHFFFAOYSA-N 295.678 3.603 5 40 CHBB C[C@@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cn1 13011732 VGPMBFOSYMYQPN-NSHDSACASA-N 297.314 3.933 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 44903400 VWHOYIWSKMKSGM-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB CC(C)(C)c1ccc(COc2cccnc2[N+](=O)[O-])cc1 57471161 IMBCGHTWOXQVHO-UHFFFAOYSA-N 286.331 3.866 5 40 CHBB CCOc1ccc2nc3cccc(OCC)c3nc2c1 76495081 BNKRTGKYVNNWTR-UHFFFAOYSA-N 268.316 3.580 5 40 CHBB CCOC(=O)c1cc(OCC)c2c(ccc3ccccc32)n1 13281824 WWSAVTYISFKGHZ-UHFFFAOYSA-N 295.338 3.963 5 40 CHBB CC(=O)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 8177926 REXDAIKXQPAPKH-UHFFFAOYSA-N 288.278 3.549 5 40 CHBB Cc1cc(C)c2c(n1)sc1c2[nH]c(=O)c2ccoc21 12534383 LXJLCPUTDWUIBW-UHFFFAOYSA-N 270.313 3.501 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O 226314790 MJGAEGWVBKXZJR-UHFFFAOYSA-N 295.294 3.931 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1C 40095743 QVUGAESWPVYOOJ-MFKMUULPSA-N 291.351 3.603 5 40 CHBB Cc1ccc(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)S2)cc1 4179973 XAODRSWTRYJLPG-HNNXBMFYSA-N 299.355 3.600 5 40 CHBB Cc1cc(C)c(CNc2ccc(N)c([N+](=O)[O-])c2)c(C)c1 68576286 OPHUVZDLTOOXTM-UHFFFAOYSA-N 285.347 3.714 5 40 CHBB in-vitro O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(F)cc2)c1 358039 MCIYKWVHANMVDA-UHFFFAOYSA-N 291.307 3.543 5 40 CHBB C[C@@H](CNc1ccc([N+](=O)[O-])s1)N(C)c1ccccc1 48999746 OJZLPRNNYQKJNR-NSHDSACASA-N 291.376 3.593 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1-c1cc2ccccc2oc1=O 216938018 VOCBQRYQHMNSMU-UHFFFAOYSA-N 281.267 3.677 5 40 CHBB O=Cc1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 2163846 WZULJQXUHQQWTM-UHFFFAOYSA-N 285.177 3.686 5 40 CHBB C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1Cl 7045130 HFNNGPYZTULPIV-SECBINFHSA-N 278.695 3.783 5 40 CHBB O=C(NCCC1CCCCCC1)c1cccc([N+](=O)[O-])c1 13668618 CGTGATRHZZDWQU-UHFFFAOYSA-N 290.363 3.685 5 40 CHBB O=[N+]([O-])c1ccccc1OCc1ccc(Cl)cc1 169211173 UVVHUJZDJPXGOB-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB CC1(C)[C@@]2(C)CC[C@]1(c1ccc([N+](=O)[O-])cc1)CC2=O 225805352 FPJABZZCPUKZSM-JKSUJKDBSA-N 273.332 3.632 5 40 CHBB O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)cc1Cl 1714026 ZFYKZVAZCYMZIW-UHFFFAOYSA-N 278.651 3.823 5 40 CHBB C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1Cl 7045124 HFNNGPYZTULPIV-VIFPVBQESA-N 278.695 3.783 5 40 CHBB Cc1cc(C)n(-c2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1 9225796 PVEDDAOGHVWAHL-UHFFFAOYSA-N 286.118 3.704 5 40 CHBB O=[N+]([O-])c1ccc(CSc2ncc3ccccn23)cc1 167777 XCNHEQFAYSDESN-UHFFFAOYSA-N 285.328 3.535 5 40 CHBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)O 8804321 KKWUODVZVWIOFF-UHFFFAOYSA-N 281.651 3.515 5 40 CHBB O=C(O)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 70462654 ZEADUCNHALENON-UHFFFAOYSA-N 298.726 3.691 5 40 CHBB CC(C)(C)OC(=O)Nc1c(Cl)cc(F)cc1[N+](=O)[O-] 1857794347 JMVBQGWNZJDUCG-UHFFFAOYSA-N 290.678 3.734 5 40 CHBB O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 260690 LTKULTUWDIUMNO-UHFFFAOYSA-N 276.679 3.501 5 40 CHBB Cc1ccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 5181814 GRTMODVOMTUGFW-XNTDXEJSSA-N 283.283 3.528 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)cn1 19868822 CZCHTQZWQBIPBC-UHFFFAOYSA-N 295.092 3.545 5 40 CHBB CCC[N@@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC 247638777 FZNOTFUEKQEKDG-NRFANRHFSA-N 292.511 3.572 5 40 CHBB Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 1903646 QKZDUIGTQHTLHQ-VQHVLOKHSA-N 296.326 3.864 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1Cl 21807206 ZFVSCXQYNWNTFM-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCCC1 17024412 ZXSPSKQXLUUYCB-UHFFFAOYSA-N 297.742 3.656 5 40 CHBB CC1(C)O[C@@H](c2ccc([N+](=O)[O-])o2)Nc2ccccc21 34132221 RRNLJVVCMGCOLT-ZDUSSCGKSA-N 274.276 3.564 5 40 CHBB Cc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 226291930 GQEKMJPUMFXCDN-INIZCTEOSA-N 271.316 3.602 5 40 CHBB C[N@+]12CCCC[C@@H]1[C@@H](COC1CCCCC1)CCC2 247693310 XPFJVBYUWABAFF-KBAYOESNSA-N 266.449 3.745 5 40 CHBB biogenic,in-vitro O=C1c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])c(F)c1 169800291 AGSPSEQTJDQYJD-ZDUSSCGKSA-N 285.274 3.647 5 40 CHBB O=C(Cc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 3326696 HUEZYZAFCBTKJK-UHFFFAOYSA-N 298.323 3.630 5 40 CHBB C[C@H](SC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12825463 ZQRCMPOEYKVTEU-JTQLQIEISA-N 294.376 3.598 5 40 CHBB CC(C)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 44563976 JNBDAKKBGPZEQT-UHFFFAOYSA-N 269.300 3.949 5 40 CHBB Cc1ccc(C)c2c(=O)c3c(C)ccc(C)c3[nH]c12 4707464 ABSDREVMZBACPP-UHFFFAOYSA-N 251.329 3.915 5 40 CHBB C[n+]1c(/C=C\c2ccc([N+](=O)[O-])cc2)sc2ccccc21 31911979 ASPNAPINZYWCEG-FLIBITNWSA-N 297.359 3.804 5 40 CHBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2/C=C/c2ccccc2)nc1 95468387 RMKCGYANYAFVOM-XVJNWHFHSA-N 295.342 3.672 5 40 CHBB CC(C)c1cccc2c(Cl)c([N+](=O)[O-])cnc12 98061868 DTUFBJPKPDFBQX-UHFFFAOYSA-N 250.685 3.920 5 40 CHBB COc1cc2ccc3c[n+]4ccccc4cc3c2cc1OC 1664480 NEYUXXVUYSEXAS-UHFFFAOYSA-N 290.342 3.749 5 40 CHBB O=C(O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3326594 JFUDQCDZOOLCLJ-UHFFFAOYSA-N 293.662 3.739 5 40 CHBB Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[C@H]1[C@@H](C2)C1(C)C 486901 QCAZKFOEFWNOMV-IUODEOHRSA-N 295.342 3.656 5 40 CHBB biogenic Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(F)cc1 45888870 DYTQIEVHNSJZHK-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 85679592 JHWZYBWDJWHVPE-GJZGRUSLSA-N 290.363 3.745 5 40 CHBB Cc1c(C)c(C)c2c(=O)n3ccccc3cc2c1C 3847864 BGCAELCQHCALII-UHFFFAOYSA-N 251.329 3.686 5 40 CHBB biogenic Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 6509413 CCKQSPPPEBLXTH-UHFFFAOYSA-N 296.735 3.870 5 40 CHBB Cc1cccc(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 82087013 IZLPGIBFLGNKPT-LLVKDONJSA-N 297.314 3.920 5 40 CHBB O=[N+]([O-])c1ccc(C(Cl)=C(Cl)Cl)cc1 1579764 ZQKMSUHEUDMBST-UHFFFAOYSA-N 252.484 3.937 5 40 CHBB Cc1nn(Cc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] 8156135 DQRMXZWAEBZKTD-UHFFFAOYSA-N 273.336 3.580 5 40 CHBB Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 10371214 YAGMEWDWXDWEIP-UHFFFAOYSA-N 298.342 3.783 5 40 CHBB CC1=C[P@@](=O)(Oc2ccc([N+](=O)[O-])cc2)CCC1 5497739 YEOWTYHUBULQGE-SFHVURJKSA-N 267.221 3.949 5 40 CHBB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 8132826 GJDPHYSOHUWWJL-UHFFFAOYSA-N 296.326 3.644 5 40 CHBB CC(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 311698 ZYKINIOHWRNMIC-UHFFFAOYSA-N 284.315 3.971 5 40 CHBB O=[N+]([O-])c1cccc(/C=C\c2cccc([N+](=O)[O-])c2)c1 13404244 DUTMIVLDFHVUNY-FPLPWBNLSA-N 270.244 3.673 5 40 CHBB O=[N+]([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)nc1 20549010 WYLLDOTYAYHIHS-UHFFFAOYSA-N 297.236 3.621 5 40 CHBB O=C(O)c1ccccc1Nc1ccc(Cl)cc1[N+](=O)[O-] 21984105 GBBIOGPNJFKJOD-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB O=C(O[C@@H]1CCC[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 4990568 XHIJFYCTVFKXLY-TUKIKUTGSA-N 289.331 3.720 5 40 CHBB C[C@@H]1Cc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 5700945 URTDNWZWNHPMCT-GFCCVEGCSA-N 268.316 3.546 5 40 CHBB O=[N+]([O-])c1ccc(CN2CC=C(c3ccccc3)CC2)cc1 58169386 MIQHTZWWWZEWQI-UHFFFAOYSA-N 294.354 3.884 5 40 CHBB Nc1nc2ccccc2c2ccc(C(F)(F)F)cc12 38600572 VBQYJKNVRUTAHL-UHFFFAOYSA-N 262.234 3.989 5 40 CHBB Cc1coc2cc3o/c(=N/O)c4ccccc4c3cc12 9531306 JUIHCNVMHHIHIK-WUKNDPDISA-N 265.268 3.931 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2O 2037077 XCQKPLNVOOYNLO-CYBMUJFWSA-N 296.109 3.964 5 40 CHBB CCOc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 59453087 SDJFLTFRXXQGPE-UHFFFAOYSA-N 284.271 3.802 5 40 CHBB Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1[N+](=O)[O-] 57613320 UYBSCBIWXOKRHZ-UHFFFAOYSA-N 292.379 3.848 5 40 CHBB CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 6118849 AATBZRQBOJGWNZ-LLVKDONJSA-N 296.754 3.653 5 40 CHBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1 10223261 RKDSIKHHVUMICU-LBPRGKRZSA-N 299.330 3.820 5 40 CHBB O=[N+]([O-])c1cc(Br)cc2cc(Cl)cnc12 1856914 ZEINDBBRQIPPSP-UHFFFAOYSA-N 287.500 3.559 5 40 CHBB O=[N+]([O-])c1ccc(Nc2ccccc2Cl)c2nonc12 4016555 DTQIEGZLOXESHQ-UHFFFAOYSA-N 290.666 3.528 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccnc3ccccc23)cc1 72242836 IWWIQCUPYAGPQT-UHFFFAOYSA-N 266.256 3.935 5 40 CHBB O=[N+]([O-])c1ccc(OCc2ccccc2)c2ncccc12 225394395 OEBMHDXNKYYNBL-UHFFFAOYSA-N 280.283 3.722 5 40 CHBB CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br 37131268 TXUYXYJTSZPMDZ-ZETCQYMHSA-N 273.130 3.568 5 40 CHBB C[N+](C)(C)C(Cc1ccccc1)Cc1ccccc1 1598789 FOMJMYCJTSWIGG-UHFFFAOYSA-N 254.397 3.547 5 40 CHBB CCCC[C@@H](O)C[N+]1(C)CCC(c2ccccc2)CC1 4105177 MHWYGCIFNHGSIT-JLAWEPINSA-N 276.444 3.562 5 40 CHBB Cc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1[N+](=O)[O-] 136487630 OPSWMKQLBQFYJN-ZDUSSCGKSA-N 290.344 3.878 5 40 CHBB CN(Cc1cccs1)c1ccc([N+](=O)[O-])c2cnccc12 12558163 IUGZSLIOSDPNBL-UHFFFAOYSA-N 299.355 3.841 5 40 CHBB CCC(CC)n1cnc2cc(C)c(C)c([N+](=O)[O-])c21 5138792 PXECYAIQPVLQQT-UHFFFAOYSA-N 261.325 3.922 5 40 CHBB CCOCCc1ccc2[nH]c3nc4ccccc4nc3c2c1 5474597 CLECBOMPWCTTKF-UHFFFAOYSA-N 291.354 3.843 5 40 CHBB Cc1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 5329131 SGBPREIHMDDXGB-UHFFFAOYSA-N 291.238 3.694 5 40 CHBB O=C(O)c1ccc([N+](=O)[O-])cc1Oc1ccccc1Cl 70231985 FFLFTGUYYWDEOO-UHFFFAOYSA-N 293.662 3.739 5 40 CHBB CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 3899195 FNIYWLDEOSHKTD-ZDUSSCGKSA-N 271.276 3.515 5 40 CHBB CCC[C@@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 8994717 GVPCLMUSBYPYDC-MRVPVSSYSA-N 293.348 3.579 5 40 CHBB c1ccc2cc3c(NCCN4CCCC4)ccnc3cc2c1 33632750 AJWPBWQAQQJXGQ-UHFFFAOYSA-N 291.398 3.896 5 40 CHBB CCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72228985 UPKAYAMMOGTFGQ-UHFFFAOYSA-N 277.107 3.640 5 40 CHBB C[N+](C)(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 27987044 WVNSDVCLTPUVLF-UHFFFAOYSA-N 292.406 3.746 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@@H]1C2 4155823 YAHPQVICYROYKA-NGZCFLSTSA-N 294.738 3.623 5 40 CHBB C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1Cl 32935516 ZGMOKCNCVYSHGI-LLVKDONJSA-N 297.786 3.535 5 40 CHBB O=[N+]([O-])c1cc2c3c(cccc3c1Br)CC2 85393940 VLIWAPMSRXZELQ-UHFFFAOYSA-N 278.105 3.609 5 40 CHBB O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])s1 3187568 YADKRKRLDLVBOL-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[C@H]1[C@H](C2)C1(C)C 103515315 QCAZKFOEFWNOMV-SWLSCSKDSA-N 295.342 3.656 5 40 CHBB C[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 169800165 SWNHASYIDZCGAT-LLVKDONJSA-N 255.273 3.581 5 40 CHBB O=[N+]([O-])c1ccc(N2CCc3ccccc32)c2ccncc12 23296081 BCYUQYBIHWLLNY-UHFFFAOYSA-N 291.310 3.837 5 40 CHBB Cc1ccc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] 5747202 LTTIHFMNWOFBCG-UHFFFAOYSA-N 290.363 3.746 5 40 CHBB CCc1cc([N+](=O)[O-])cc(Cl)c1N(CC)CC 226315928 PROBLQPDNSRRQY-UHFFFAOYSA-N 256.733 3.657 5 40 CHBB CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1C 4151031 XKFFKBAVGSDALP-UHFFFAOYSA-N 298.342 3.878 5 40 CHBB CC(C)c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(C)C 685938042 HMIZVLFTTKOVLN-UHFFFAOYSA-N 274.320 3.683 5 40 CHBB CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 22761314 BZSWVSYCGLLRBA-QGZVFWFLSA-N 282.343 3.714 5 40 CHBB COC(=O)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 39128618 PTBDNZRVAGPHKG-NSCUHMNNSA-N 283.283 3.552 5 40 CHBB COc1cccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 85345248 KIQOEQQDFDAZPP-UHFFFAOYSA-N 284.271 3.720 5 40 CHBB O=[N+]([O-])c1cccc(Cl)c1N1CCc2ccccc21 252478497 AOBRNHKZQLQCQU-UHFFFAOYSA-N 274.707 3.942 5 40 CHBB CCCCCNc1ncnc(NCCCCC)c1[N+](=O)[O-] 4419715 WSERSMDKEWTXIC-UHFFFAOYSA-N 295.387 3.589 5 40 CHBB Cc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(-c3ccccc3)c2c1 32918922 UJOCFCLGWORLMU-UHFFFAOYSA-N 296.282 3.750 5 40 CHBB CCCCS[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl 1727658 XCMAHNDEVIBXFQ-ZCFIWIBFSA-N 280.604 3.535 5 40 CHBB O=C(O)c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 21040767 FZZNKRHCHRESFQ-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB CC(C)(C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1 6857395 ASCGYTBZVJRYRP-UHFFFAOYSA-N 264.369 3.899 5 40 CHBB CC(=O)[C@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 4747435 BBUVHASKUIIMSI-LBPRGKRZSA-N 296.322 3.611 5 40 CHBB biogenic CC(C)(C)c1cccc2nc3c(O)cccc3nc12 76495089 JYJCQLMXLFHCEO-UHFFFAOYSA-N 252.317 3.786 5 40 CHBB O=C(O)C(=Cc1c2ccccc2cc2ccccc12)C(=O)O 1634266 GQLAYWXEVXXFRB-UHFFFAOYSA-N 292.290 3.546 5 40 CHBB COc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 5429465 FBRHQZHXYVZLCX-UHFFFAOYSA-N 293.706 3.836 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCCCC1 15443207 ZGCXQYOIHZRWAE-UHFFFAOYSA-N 288.269 3.994 5 40 CHBB O=c1oc2c3cc(F)ccc3oc2c2ccccc12 9485210 PVDDIXHSEPGVBX-UHFFFAOYSA-N 254.216 3.832 5 40 CHBB Cc1ccc2nc3oc4ccccc4c(=O)c3cc2c1 12788474 LYPQNJHVQOCUNP-UHFFFAOYSA-N 261.280 3.803 5 40 CHBB O=[N+]([O-])c1cnc2ccccc2c1NCc1ccccc1 34196918 LOOLNLMGAXKIJT-UHFFFAOYSA-N 279.299 3.755 5 40 CHBB Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[C@@H]1[C@@H](C2)C1(C)C 103515312 QCAZKFOEFWNOMV-DOMZBBRYSA-N 295.342 3.656 5 40 CHBB COc1ccc(Br)cc1C[N+]1(C)CCCCC1 546865 UEKOACPTNMEUQP-UHFFFAOYSA-N 299.232 3.588 5 40 CHBB CC(C)CC[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] 84510286 WUDUIUINJVHILF-ZDUSSCGKSA-N 277.368 3.785 5 40 CHBB Cc1cc(C)c(C(=O)Oc2cccc([N+](=O)[O-])c2)c(C)c1 377011 CFLMPJVGCXOLNF-UHFFFAOYSA-N 285.299 3.739 5 40 CHBB CCc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 36623345 CDTHPLLUNVQOGO-GFCCVEGCSA-N 298.342 3.648 5 40 CHBB Cc1cc([N+](=O)[O-])c(-c2ccc(C=O)o2)cc1Cl 40541565 LRFNSFAESMGDAP-UHFFFAOYSA-N 265.652 3.629 5 40 CHBB O=[N+]([O-])c1c(N2CCCCCC2)ccc2ncccc12 42109295 JVFUBXRYTZPGNN-UHFFFAOYSA-N 271.320 3.523 5 40 CHBB CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 3194408 NRYVXOOTRAOYDB-UHFFFAOYSA-N 284.315 3.570 5 40 CHBB O=[N+]([O-])c1ccc(Nc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 199420167 LKENTYXXLKIMSQ-UHFFFAOYSA-N 298.258 3.728 5 40 CHBB C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 226316740 ZVTNZKZGWFWTDR-SECBINFHSA-N 299.168 3.594 5 40 CHBB O=[N+]([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409073135 PBIGOASJTLMDFS-AATRIKPKSA-N 294.650 3.756 5 40 CHBB O=[N+]([O-])c1ccc(NCCCc2ccccc2)cc1 5459055 BFGKWKBAMFECRA-UHFFFAOYSA-N 256.305 3.640 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(F)(F)Cl 95215778 ITPHHTFDPCQQHQ-UHFFFAOYSA-N 291.559 3.782 5 40 CHBB CC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 490038 JXZPRJSZRFWAMF-UHFFFAOYSA-N 289.338 3.908 5 40 CHBB biogenic O=C(O)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 1875433 YSMUPSUGFXEWBE-ZZXKWVIFSA-N 293.662 3.606 5 40 CHBB Cc1cccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1C 5158528 JFKNNDGFDGRDKD-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F 8548349 BAHPKBDEVQAFDU-UHFFFAOYSA-N 273.132 3.941 5 40 CHBB biogenic O=[N+]([O-])c1ccc(Cl)cc1OCc1ccccc1 44831191 XHYFSVORMROOOZ-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB O=[N+]([O-])c1cccc(COc2ccc(Cl)cc2)c1 2732030 YUODSHLYFYULOH-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB CC(C)c1cc(C(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] 32627345 SYRVNCAMWDHLKB-UHFFFAOYSA-N 252.270 3.750 5 40 CHBB Cc1cccc(SC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 1711632 DVFINWBMKJKJLS-UHFFFAOYSA-N 287.340 3.765 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 5568635 GORSPJXMKNAKBB-UHFFFAOYSA-N 276.679 3.501 5 40 CHBB Oc1ccc2c3cccc4cccc(c5nnc(O)c1c25)c43 16941153 HRSDTFQKERTCAK-UHFFFAOYSA-N 286.290 3.938 5 40 CHBB CN(C)c1c2ccccc2c(NC=O)c2ccccc12 1611610 SBDQQKQUIKGHFZ-UHFFFAOYSA-N 264.328 3.627 5 40 CHBB COC(=O)c1cc2ccc3c4ccccc4n(C)c3c2[nH]1 2074627 AWPSPVKKGWPWDJ-UHFFFAOYSA-N 278.311 3.599 5 40 CHBB CCc1cccc(CC)c1NC(=O)c1ccccc1[N+](=O)[O-] 5477445 VSXSXJCJXSVXQL-UHFFFAOYSA-N 298.342 3.972 5 40 CHBB CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 85679596 JHWZYBWDJWHVPE-CABCVRRESA-N 290.363 3.745 5 40 CHBB Cc1occc1Sc1ccc(F)cc1[N+](=O)[O-] 96003743 QMYHUYFFDMTIBC-UHFFFAOYSA-N 253.254 3.787 5 40 CHBB Cc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)s1 480104 WKFQQPPRDDXORU-UHFFFAOYSA-N 287.753 3.559 5 40 CHBB CN(Sc1ccccc1[N+](=O)[O-])c1ccccc1 3189116 HPELWCMWIWGEGC-UHFFFAOYSA-N 260.318 3.738 5 40 CHBB CCn1c(CNc2ccc([N+](=O)[O-])cc2)nc2ccccc21 9378464 ZWUTZBVPQIIDPX-UHFFFAOYSA-N 296.330 3.577 5 40 CHBB Cc1c(NC(=O)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 40099094 YPAUTRXCZWZIQN-GFCCVEGCSA-N 299.330 3.786 5 40 CHBB CCOC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1574379 LZKWCQVOYBCWDD-UHFFFAOYSA-N 298.298 3.734 5 40 CHBB CC(=O)Nc1ccc(CCCc2ccc([N+](=O)[O-])cc2)cc1 1556081 ZNEDRRZVGWKDSG-UHFFFAOYSA-N 298.342 3.729 5 40 CHBB O=[N+]([O-])c1sc(N2CCCCC2)nc1-c1ccccc1 4350204 GYHQWZMUFUDXSE-UHFFFAOYSA-N 289.360 3.709 5 40 CHBB O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])s1 5165440 NFEYHFZYGCJULJ-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB O=[N+]([O-])c1ccccc1Sc1nc2ccccc2[nH]1 6147363 IZTQWXDXEILDDQ-UHFFFAOYSA-N 271.301 3.622 5 40 CHBB Cn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc21 8808197 AGCHWSQFUBUDIJ-UHFFFAOYSA-N 299.355 3.774 5 40 CHBB CCCCNc1ccc(Br)cc1[N+](=O)[O-] 20563740 GBDSMKOOMVBSMF-UHFFFAOYSA-N 273.130 3.569 5 40 CHBB CCc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 36623313 RNQQUIOABKLLJS-GFCCVEGCSA-N 298.342 3.648 5 40 CHBB Cc1ccc2nc(Cc3ccccc3[N+](=O)[O-])oc2c1 199803187 SQKPCHNTSOXGGX-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB O=C1CCCCCC[C@@H]1Sc1ccccc1[N+](=O)[O-] 339724 DURJJDLFRHUNEU-AWEZNQCLSA-N 279.361 3.979 5 40 CHBB O=[N+]([O-])c1ccc(CCCc2ccc([N+](=O)[O-])cc2)cc1 1556074 VAPDJRHKCKAAKT-UHFFFAOYSA-N 286.287 3.678 5 40 CHBB Cc1c2ncccc2cc2oc3ccccc3c(=O)c12 6006920 VEVKSNNOFYPOBX-UHFFFAOYSA-N 261.280 3.803 5 40 CHBB Cc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C 3316670 NDOJAVCDGSMJQW-UHFFFAOYSA-N 285.299 3.569 5 40 CHBB Cc1cccc2cc3c(=O)oc4ccccc4c3nc12 382984 QIGJABCQHOVHSF-UHFFFAOYSA-N 261.280 3.803 5 40 CHBB O=C(c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 2514077 QEJJBQZSHWHGHF-UHFFFAOYSA-N 277.279 3.979 5 40 CHBB O=[N+]([O-])c1cc(C2SCCS2)ccc1Cl 4205187 CEDROOCKDRXVHS-UHFFFAOYSA-N 261.755 3.727 5 40 CHBB C[N+](C)(C)C[C@@H]1CCCCCCCCCCC1=O 6482969 ZIILLCJHGGYCPK-HNNXBMFYSA-N 254.438 3.793 5 40 CHBB CC(C)[C@@H](NCc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 95462184 DBTSEBOTHGQWOQ-QGZVFWFLSA-N 299.374 3.664 5 40 CHBB Cc1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 60236 JACIJAJFUASKMR-MDZDMXLPSA-N 282.299 3.555 5 40 CHBB CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(C)cc1 481362 DEALJDCQBUDBRH-UHFFFAOYSA-N 277.349 3.579 5 40 CHBB COC(=O)Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 52428368 XSTLBEZRLJMYBU-UHFFFAOYSA-N 287.275 3.517 5 40 CHBB CC(C)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 72331448 PJAOMBHZKXXMOL-UHFFFAOYSA-N 298.342 3.648 5 40 CHBB C[N+](C)(CCOc1ccc(F)cc1Cl)C1CCCC1 93872918 FOEDULJGXNUYLD-UHFFFAOYSA-N 286.798 3.877 5 40 CHBB O=[N+]([O-])c1ccc(N2CCCc3ccccc32)c([N+](=O)[O-])c1 4420422 FQCIOGVZMICYQN-UHFFFAOYSA-N 299.286 3.587 5 40 CHBB O=[N+]([O-])c1ccc(NCc2cc(-c3ccccc3)no2)cc1 32904998 DNCQCOAAPXTEHM-UHFFFAOYSA-N 295.298 3.862 5 40 CHBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cccnc3)nc12 7621055 XXUDUQSDIJVKGV-SOFGYWHQSA-N 277.283 3.708 5 40 CHBB Cc1c(OCc2nc3ccccc3o2)cccc1[N+](=O)[O-] 47355531 XMZLBWZOMXWUSV-UHFFFAOYSA-N 284.271 3.623 5 40 CHBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 4017747 KPLRDWVOGANZAD-UHFFFAOYSA-N 265.272 3.652 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 5793054 KZDTZTPNXYAAFS-LLVKDONJSA-N 294.351 3.758 5 40 CHBB Cc1cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)ccc1N 216925458 IGFKIZPVYHXERE-UHFFFAOYSA-N 283.287 3.602 5 40 CHBB Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)oc2c1 360536 XIKITIBPZYVXQL-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB CC[N+](CC)(CCO)C1c2ccccc2-c2ccccc21 1305533 GNIMHHZBKZDKBK-UHFFFAOYSA-N 282.407 3.605 5 40 CHBB Cc1ccc(C)c(OC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 3317077 PWUYZCCWWBFKCR-UHFFFAOYSA-N 299.326 3.668 5 40 CHBB S=C(Nc1ccc2cc3ccccc3nc2c1)NC1CC1 409190286 RMKJWPWJGPLKSB-UHFFFAOYSA-N 293.395 3.837 5 40 CHBB CCCCC[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] 8427693 NIXYHUYCLHDPQA-GFCCVEGCSA-N 278.352 3.602 5 40 CHBB CC(=O)c1ccc(CCc2ccc([N+](=O)[O-])cc2)cc1 1556068 BDQDZLCTJDWDEN-UHFFFAOYSA-N 269.300 3.583 5 40 CHBB CC(=O)OCCC/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] 4963452 GRYDOKPJPSODRL-SFQUDFHCSA-N 299.326 3.801 5 40 CHBB O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1Cl 22120152 XSZWPSFHGNMNEZ-UHFFFAOYSA-N 291.650 3.558 5 40 CHBB O=[N+]([O-])C[C@@H](c1ccc(F)cc1)c1c[nH]c2ccccc12 2327993 DELUHBXUBDRTAX-HNNXBMFYSA-N 284.290 3.716 5 40 CHBB Cn1cc([C@H](C[N+](=O)[O-])c2ccccc2)c2ccccc21 257741 RZQOLNRNTNCIGV-OAHLLOKOSA-N 280.327 3.587 5 40 CHBB Nc1c(Cl)cc(Cl)c2ccc([N+](=O)[O-])cc12 5105970 QNRLCJPIWCEKFL-UHFFFAOYSA-N 257.076 3.637 5 40 CHBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccncc3)nc2c1 9221264 XTBSJUDKTXVGBH-DAFODLJHSA-N 283.312 3.770 5 40 CHBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccncc3)sc2c1 9339213 NSTRDNCJOMFWLS-DAFODLJHSA-N 283.312 3.770 5 40 CHBB Cc1ccc(COc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 33408146 SHNIBZPXSADDJD-ZHACJKMWSA-N 269.300 3.821 5 40 CHBB O=[N+]([O-])c1cccnc1Sc1ccc(Cl)cc1 152745 ANCQATHISNEWKS-UHFFFAOYSA-N 266.709 3.794 5 40 CHBB CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 513685 ODUFERBFAAHAHH-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB O=c1c2ccccc2oc2ccc(C(F)(F)F)cc12 4290223 LEOGBDMNMFJKRV-UHFFFAOYSA-N 264.202 3.965 5 40 CHBB in-vitro C[N+](C)(C)CCO[C@@H](Cc1ccccc1)c1ccccc1 5764638 LBRNZQRZDLLIHL-IBGZPJMESA-N 284.423 3.693 5 40 CHBB in-man O=[N+]([O-])c1cc(F)c(OC(Cl)(Cl)Cl)c(F)c1 95215737 VERGLPWGVLNXNG-UHFFFAOYSA-N 292.452 3.580 5 40 CHBB CC(C)N1COc2ccc3c(oc(=O)c4ccccc43)c2C1 57135146 YGTYFHLKZXENQX-UHFFFAOYSA-N 295.338 3.507 5 40 CHBB Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3o2)cc1F 12951192 BEFXJYDGSMLTDT-UHFFFAOYSA-N 287.250 3.927 5 40 CHBB O=[N+]([O-])c1cccnc1Oc1ccc(F)c(Cl)c1 7185943 PGTNYGROXSRFCN-UHFFFAOYSA-N 268.631 3.575 5 40 CHBB O=[N+]([O-])c1ccc2nc(NCc3ccccc3)sc2c1 35655318 JJPSGGLMFIBWDB-UHFFFAOYSA-N 285.328 3.817 5 40 CHBB O=[N+]([O-])c1cc(OC(F)(F)Cl)ccc1C(F)(F)F 95215654 JUYTUNGBMUXSFW-UHFFFAOYSA-N 291.559 3.782 5 40 CHBB C[N+]1(CCCCSc2ccc(O)cc2)CCCCC1 3062538 LWHMSOYMMDTDTK-UHFFFAOYSA-O 280.457 3.895 5 40 CHBB CC(C)CN(CC(C)C)c1ccc(C=O)cc1[N+](=O)[O-] 33500562 PGUIWZAUZDSFGR-UHFFFAOYSA-N 278.352 3.526 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1Br 79064592 WCUFDMVRHKUDAR-UHFFFAOYSA-N 270.897 3.664 5 40 CHBB Cc1ccc(NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 3048028 KXIWETWYEWBEKU-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Cc1n[nH]c(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 3901206 DHRWLRGJFSWHQB-UHFFFAOYSA-N 287.106 3.677 5 40 CHBB CC(C)Oc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 34990115 GDUIGGJTOBBERK-UHFFFAOYSA-N 286.331 3.994 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2773449 VSOKYPWMFFMTRA-JTQLQIEISA-N 282.315 3.889 5 40 CHBB O=C(O)c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 3913776 SRHYBNXVJLWXTE-UHFFFAOYSA-N 290.319 3.595 5 40 CHBB Cc1cc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C 3206434 PMFPIJVOZKXQEN-AATRIKPKSA-N 288.259 3.719 5 40 CHBB O=[N+]([O-])c1cccc(CNc2cccc(-c3cnco3)c2)c1 95352906 LZQKLVZMIHNYOK-UHFFFAOYSA-N 295.298 3.862 5 40 CHBB O=C(Oc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 38480 YZJGKHQJSMRKSS-UHFFFAOYSA-N 293.278 3.967 5 40 CHBB CSc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 5222855 XALQWKMQNQROJB-UHFFFAOYSA-N 288.328 3.569 5 40 CHBB Cc1ccc(Sc2ncccc2[N+](=O)[O-])cc1C 7983446 FIZHFXRJXJHWLB-UHFFFAOYSA-N 260.318 3.758 5 40 CHBB CCC[C@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 8994719 GVPCLMUSBYPYDC-QMMMGPOBSA-N 293.348 3.579 5 40 CHBB CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc([N+](=O)[O-])cc3nc12 468480 TXGIVGINCWKAMP-HWPZZCPQSA-N 283.331 3.713 5 40 CHBB O=C1O[C@H](c2cccc([N+](=O)[O-])c2)Sc2ccccc21 1599620 VTMPFRAKKIAGKI-AWEZNQCLSA-N 287.296 3.556 5 40 CHBB CC1=C(C)C[C@H](C(Cl)(Cl)Cl)[C@@H]([N+](=O)[O-])C1 1727209 KAAJPPVVQNWGJG-YUMQZZPRSA-N 272.559 3.748 5 40 CHBB Cc1ccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 16468075 WICXSCKRMOWJKO-GFCCVEGCSA-N 285.299 3.821 5 40 CHBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1 72209618 YAMGFCBBQJBQDC-UHFFFAOYSA-N 263.224 3.535 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cccc(Cl)c1 21507631 VKMACULPVPSOKA-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB C[C@H](C[C@@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C 13509565 NBLWOKORNFBCIG-BRWVUGGUSA-N 298.491 3.821 5 40 CHBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 37976795 SYGZPJGOCKCKEC-VIFPVBQESA-N 277.711 3.816 5 40 CHBB Cc1ccnc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 199716117 PLBALDKTHDJUIK-UHFFFAOYSA-N 263.684 3.695 5 40 CHBB O=[N+]([O-])c1ccc(-c2csc3ncnc(Cl)c23)cc1 2568477 YBVURUQXJIKEMN-UHFFFAOYSA-N 291.719 3.920 5 40 CHBB C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 58140762 WLZIPPOQQSTNSL-DPQIITEBSA-N 282.343 3.959 5 40 CHBB CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 85679590 JHWZYBWDJWHVPE-LSDHHAIUSA-N 290.363 3.745 5 40 CHBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3)oc12 73641676 OHNVXCFPQAHWRO-UHFFFAOYSA-N 268.272 3.965 5 40 CHBB CC(C)(C)CNCc1cccc2nc3ccccc3nc12 85390668 BWDGCYMEJHRYJP-UHFFFAOYSA-N 279.387 3.919 5 40 CHBB Cc1cc(NCCc2ccccc2)c([N+](=O)[O-])cc1C 109945945 MHKKHMZZLJBHDD-UHFFFAOYSA-N 270.332 3.866 5 40 CHBB Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 10009813 BAXWTZNFRMDTPI-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB O=[N+]([O-])c1ccccc1CNCc1cccc(Cl)c1 19797573 CHYVJKDHUYKPTN-UHFFFAOYSA-N 276.723 3.538 5 40 CHBB O=[N+]([O-])c1c2n(c(C3CCCC3)nc1=S)CCCCC2 3308441 KJPYSXCYBILOHA-UHFFFAOYSA-N 293.392 3.905 5 40 CHBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)C1CC1 4693978 LDUZMLWBAAZXMY-UHFFFAOYSA-N 295.363 3.763 5 40 CHBB O=[N+]([O-])c1cc(F)cc(F)c1Nc1ccc(F)cc1 4933952 FAIJAOADJSWLOS-UHFFFAOYSA-N 268.194 3.756 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CCC=CCC[C@H]12 18044237 RFBTVNSAFANRSG-KBPBESRZSA-N 286.331 3.526 5 40 CHBB O=[N+]([O-])c1cc(Br)c2cccc3c2c1CC3 1723055 JWVFFIKWBHHGFN-UHFFFAOYSA-N 278.105 3.609 5 40 CHBB Cc1ccc([N+](=O)[O-])c(NC(=O)c2cccs2)c1C 6922729 UJEOGRUBIOCBEH-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB Cc1ccc2c(c1)Nc1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 18195814 MDRUVKQDSNPFBG-UHFFFAOYSA-N 287.231 3.661 5 40 CHBB CCc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 36623314 RNQQUIOABKLLJS-LBPRGKRZSA-N 298.342 3.648 5 40 CHBB CSc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5222853 SOVRAFXOYWKADK-UHFFFAOYSA-N 288.328 3.569 5 40 CHBB COC(=O)c1cc2c(ccc3c4ccccc4oc23)[nH]1 4028060 XQXRBJXNKLMILI-UHFFFAOYSA-N 265.268 3.854 5 40 CHBB biogenic CC[C@@H](Cc1ccc(C)cc1)N(C)c1ncccc1[N+](=O)[O-] 76061321 LXTYHFHXDFXRNF-HNNXBMFYSA-N 299.374 3.756 5 40 CHBB NNCc1c2ccccc2c(Cl)c2ccccc12 90613272 AZRUCDZLMVIIGC-UHFFFAOYSA-N 256.736 3.610 5 40 CHBB O=[N+]([O-])c1ccc(NC2CCCCC2)c(Cl)c1 21512491 CXIWDQIZHQEWCW-UHFFFAOYSA-N 254.717 3.993 5 40 CHBB Cc1nc(SCc2cc([N+](=O)[O-])ccc2Cl)[nH]c1C 96191896 JQDIMVVWOYMLOE-UHFFFAOYSA-N 297.767 3.880 5 40 CHBB O=C(CCC1CCCC1)Nc1cccc([N+](=O)[O-])c1 505433 DHECEVJOZPLZEU-UHFFFAOYSA-N 262.309 3.504 5 40 CHBB O=C(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 1666540 LPBSNCMCZNHWHU-UHFFFAOYSA-N 269.300 3.800 5 40 CHBB Cc1ccc([N+](=O)[O-])c(Oc2cccc(-c3nnco3)c2)c1 88700486 ALFFDTXLDUSTNA-UHFFFAOYSA-N 297.270 3.746 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 62835550 WHWTXTMAIPDXHW-UHFFFAOYSA-N 281.333 3.575 5 40 CHBB in-vitro CO[C@@]1(C)C(=O)Oc2c1c1ccccc1c1ccccc21 4973022 ZPUDKAYDGWDKAC-GOSISDBHSA-N 278.307 3.774 5 40 CHBB CC(C)(C)c1ccc(C(=O)Nc2ccccn2)cc1[N+](=O)[O-] 9338632 JHCUKHADRZREFD-UHFFFAOYSA-N 299.330 3.540 5 40 CHBB Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 15952076 HTOOWNGOCSZFII-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB CC(C)C(=O)Nc1ccnc2c1ccc1ccccc12 40384297 HUGSNPJROBOANU-UHFFFAOYSA-N 264.328 3.983 5 40 CHBB Cc1cccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1 17162986 ZNTOFZNJYOZWEA-UHFFFAOYSA-N 296.282 3.753 5 40 CHBB COc1ccccc1/C=C/c1nc2cc([N+](=O)[O-])ccc2[nH]1 24752559 CFJZETOGSQBVQW-RMKNXTFCSA-N 295.298 3.650 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100676346 YAHPQVICYROYKA-KKZNHRDASA-N 294.738 3.623 5 40 CHBB C[n+]1c(/C=C\c2cccc([N+](=O)[O-])c2)sc2ccccc21 31911975 MEMPPCGVAMKFNC-KTKRTIGZSA-N 297.359 3.804 5 40 CHBB Cc1ccc2oc(Cc3ccc([N+](=O)[O-])cc3)nc2c1 39126758 ARXCMCZGBZJOPM-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 558003 PTAAERQCERAYTI-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB CCOC(=O)C(=O)c1cc2ccccc2c2ccccc12 34435689 RDMOHFCKCJWTCG-UHFFFAOYSA-N 278.307 3.739 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 57351388 OOQZMPRTANLIOC-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB CC(C)(C)C(=O)CSCc1c(F)cccc1[N+](=O)[O-] 72312896 ODXUDPAFMYPZHT-UHFFFAOYSA-N 285.340 3.582 5 40 CHBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 137030100 OCLFLAPZHGVTPL-MRXNPFEDSA-N 280.327 3.885 5 40 CHBB c1ccc2nc3c(CNC4CCCC4)cccc3nc2c1 85390675 NQCDIGHSSAXNTH-UHFFFAOYSA-N 277.371 3.815 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N1[C@@H](C)CCC[C@H]1C 226315550 RJPGNOPPNMMATQ-TXEJJXNPSA-N 262.353 3.925 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1C=CCC1 1671021 LGHUYORSEFKWRZ-QMMMGPOBSA-N 274.103 3.999 5 40 CHBB O=C(O[C@H]1CCC[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 4990569 XHIJFYCTVFKXLY-CQDKDKBSSA-N 289.331 3.720 5 40 CHBB CCCNC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20160194 VWHXNYKDLXDJJE-UHFFFAOYSA-N 298.751 3.603 5 40 CHBB Nc1c(Cl)cc(Nc2ncccc2[N+](=O)[O-])cc1Cl 7186079 FLYOYEKLTVGFQM-UHFFFAOYSA-N 299.117 3.622 5 40 CHBB C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cncc(F)c1 96491799 VXBAALAJIYDSEC-QWRGUYRKSA-N 289.310 3.541 5 40 CHBB Cc1noc(/C=C/C=C\c2ccccc2)c1[N+](=O)[O-] 32266107 DKPBCIGIONEFBT-VTBWALSUSA-N 256.261 3.618 5 40 CHBB Cc1ccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 1746877 GRTMODVOMTUGFW-GDNBJRDFSA-N 283.283 3.528 5 40 CHBB CC[N+](C)(CC)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 1670720 PYMAKVSXXYVLJK-PMACEKPBSA-N 298.450 3.990 5 40 CHBB COc1ccc(-c2nc3cc(C)ccc3o2)cc1[N+](=O)[O-] 544807 AWPYGPWXZGVMHE-UHFFFAOYSA-N 284.271 3.720 5 40 CHBB O=[N+]([O-])c1cc(C(F)(F)F)c(Br)cc1F 102236725 CYKDDFAZCMOGAI-UHFFFAOYSA-N 287.994 3.515 5 40 CHBB C[C@@H](c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 642882455 AZCRHADOZSXKCV-NSHDSACASA-N 294.314 3.532 5 40 CHBB C[N+](C)(C)Cc1ccc2ccccc2c1Br 1662348 HCKDXPGTPIOAST-UHFFFAOYSA-N 279.201 3.809 5 40 CHBB CCc1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O 21815093 LJLVTNOKXFXHCL-UHFFFAOYSA-N 286.287 3.599 5 40 CHBB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C/[N+](=O)[O-] 106112651 DHKFBWWQFYRLCV-ZHACJKMWSA-N 293.326 3.890 5 40 CHBB CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 3899196 FNIYWLDEOSHKTD-CYBMUJFWSA-N 271.276 3.515 5 40 CHBB CCC[C@H](C)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 75105532 NUBYGQLRIDERSX-VIFPVBQESA-N 284.743 3.509 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 1714710 JVZJSZHIHXGAHD-UHFFFAOYSA-N 293.662 3.739 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CCC=CCC[C@@H]12 5022359 RFBTVNSAFANRSG-YIONKMFJSA-N 286.331 3.526 5 40 CHBB Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(Cl)c1 216925554 GLQPSTASKSUIJW-UHFFFAOYSA-N 289.678 3.639 5 40 CHBB CC(C)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 7185860 CNILDONBTDOVNG-UHFFFAOYSA-N 257.293 3.857 5 40 CHBB COc1ccc2ccc3ccc(OC)c(OC(C)=O)c3c2c1 1707693 RIUJHBDYSWDQNC-UHFFFAOYSA-N 296.322 3.936 5 40 CHBB biogenic,in-vitro O=[N+]([O-])c1cccc(Oc2ccnc3ccccc23)c1 72242839 LBMNPIUSMVKDGW-UHFFFAOYSA-N 266.256 3.935 5 40 CHBB O=[N+]([O-])c1c(F)c(F)c2c(c1F)Oc1ccccc1O2 551578 OVFKFMOTQRSXGV-UHFFFAOYSA-N 283.161 3.910 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1 226315600 OLMHLKZXNPGLTK-RYUDHWBXSA-N 262.353 3.640 5 40 CHBB Cc1cc2ncn(Cc3ccccc3[N+](=O)[O-])c2cc1C 59475025 VYXKJIDXQZXXIY-UHFFFAOYSA-N 281.315 3.610 5 40 CHBB CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 409195004 OHKCLXIBDPVXTN-RVDMUPIBSA-N 294.310 3.502 5 40 CHBB O=[N+]([O-])c1cccc(-c2nc3ccccc3s2)c1 19641 QNYLRZBOTOWMAE-UHFFFAOYSA-N 256.286 3.872 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1Cc1cc([N+](=O)[O-])ccc1C 30836092 YCDBZNDEIDDULQ-UHFFFAOYSA-N 286.287 3.711 5 40 CHBB O=[N+]([O-])c1ccccc1NCCOc1ccc2c(c1)CCC2 71817206 QBSZXWSAVHKDMI-UHFFFAOYSA-N 298.342 3.574 5 40 CHBB COCCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 72037923 IRJJVVRHIDZGJX-UHFFFAOYSA-N 292.360 3.606 5 40 CHBB O=[N+]([O-])c1cccc(NCc2ccc(Cl)cc2)c1 3159495 LQOYLPSTYSVVDG-UHFFFAOYSA-N 262.696 3.860 5 40 CHBB CCCC[C@H](CC)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 5597361 YLTINZGPEMNWJL-ZDUSSCGKSA-N 292.379 3.849 5 40 CHBB O=[N+]([O-])c1cccc2nc(/C=C/c3cncs3)ccc12 95425635 RVHLXWKXXJDECG-GQCTYLIASA-N 283.312 3.770 5 40 CHBB O=[N+]([O-])c1cc(F)cc(F)c1Nc1cc(F)cc(F)c1 4933946 WHDJWPBOTGSLTR-UHFFFAOYSA-N 286.184 3.895 5 40 CHBB O=[N+]([O-])c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 8149308 LZHFBMWMNWNMJX-UHFFFAOYSA-N 279.296 3.638 5 40 CHBB Cc1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] 59118 DXJVUGZYZPANJK-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB O=c1ccc2ccc3c(=O)c4ccccc4c4ccc1c2c34 4769054 OXWHZARNAGLRFL-UHFFFAOYSA-N 282.298 3.895 5 40 CHBB CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 5471135 VQYXIUIXETZOQA-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB CC(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 3844600 DNTGPKNXCGZTLX-UHFFFAOYSA-N 296.282 3.668 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC(F)(F)F 95215525 VPESQYVQRZLCKV-UHFFFAOYSA-N 275.997 3.800 5 40 CHBB O=c1c2ccccc2c2nccc3c4ccccc4n1c32 1744168 VODSHQYSLMKQCD-UHFFFAOYSA-N 270.291 3.592 5 40 CHBB biogenic CC[C@H](Cc1ccc(C)cc1)N(C)c1ncccc1[N+](=O)[O-] 76061325 LXTYHFHXDFXRNF-OAHLLOKOSA-N 299.374 3.756 5 40 CHBB Cc1c(NC(=O)N[C@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] 43346273 BBRFVGMZJQFZBR-PWSUYJOCSA-N 291.351 3.603 5 40 CHBB Cc1cccc(C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 19163659 LJAGSAYIGYQVIZ-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB C[C@@H]1CCCCN1c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 45886577 ZSZAECIRLNOHDY-MRVPVSSYSA-N 299.714 3.535 5 40 CHBB Cc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 226907 IOCIVGMQAYQQMH-MDZDMXLPSA-N 282.299 3.555 5 40 CHBB CCC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 566907 SEGOBHUTNVUJGU-UHFFFAOYSA-N 285.299 3.767 5 40 CHBB O=C(Nc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] 3566220 SLZJGHHDGUVCMW-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB CCCCN(CC)C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 40104996 DGGPNXMQOWBQLL-UHFFFAOYSA-N 293.367 3.811 5 40 CHBB COc1ccc2c(OC(C)=O)c3ccccc3cc2c1 1674991 OGKGSMGCLIMCRF-UHFFFAOYSA-N 266.296 3.927 5 40 CHBB C[C@H]1Cc2cc(CNc3cccc([N+](=O)[O-])c3)ccc2O1 10299703 WAJAPAQBDUMFQB-NSHDSACASA-N 284.315 3.530 5 40 CHBB Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 40095677 QTBYULLKRBWAAS-LBPRGKRZSA-N 299.330 3.786 5 40 CHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@@H]1C2 442268 YAHPQVICYROYKA-IQJOONFLSA-N 294.738 3.623 5 40 CHBB CCc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226291867 BAEWDAGVRYAJSP-UHFFFAOYSA-N 269.300 3.697 5 40 CHBB O=[N+]([O-])c1c(Br)sc2ccccc12 319610 CJBFUXJMUCCEEV-UHFFFAOYSA-N 258.096 3.572 5 40 CHBB in-vitro CC(=O)SCC[n+]1cc2ccccc2c2ccccc21 1578119 BSEPFRSEZQNTGX-UHFFFAOYSA-N 282.388 3.560 5 40 CHBB CCc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293128 JCICJUGBVBEFGA-MRXNPFEDSA-N 271.316 3.547 5 40 CHBB CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 9141792 GTOIUWBRJWDCGG-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB O=[N+]([O-])c1cccc(-c2csc(-c3ccncc3)n2)c1 171865 DUUBJJSBGACCFW-UHFFFAOYSA-N 283.312 3.780 5 40 CHBB O=C1O[C@@H](c2cccc([N+](=O)[O-])c2)Sc2ccccc21 5742668 VTMPFRAKKIAGKI-CQSZACIVSA-N 287.296 3.556 5 40 CHBB COc1ccc(C)cc1COc1cc(F)ccc1[N+](=O)[O-] 7005390 YPACJSWFEDMHJK-UHFFFAOYSA-N 291.278 3.630 5 40 CHBB O=[N+]([O-])c1cccnc1Oc1ccc(Br)cc1 7185700 QTFKHGINUZQHIT-UHFFFAOYSA-N 295.092 3.545 5 40 CHBB Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(F)c1 9218749 HHSAKJFZISEZEG-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB COc1ccccc1[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] 15170204 ZFIJMDDREUQYKG-JTQLQIEISA-N 290.294 3.916 5 40 CHBB CC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 26511393 KGIQYHQQNVIOCO-UHFFFAOYSA-N 284.315 3.511 5 40 CHBB CCCN(CCC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288723 NOTRMVDXJPMNMY-UHFFFAOYSA-N 284.743 3.510 5 40 CHBB Cc1nc(-c2ccc(Br)c([N+](=O)[O-])c2)cs1 2574799 PGPNBUCEBYRVHZ-UHFFFAOYSA-N 299.149 3.789 5 40 CHBB Cc1ccc2oc(Cc3cccc([N+](=O)[O-])c3)nc2c1 199796964 GWPZQZMQZYRXGP-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB CN(CC1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 24828401 ZFRVZUXNJMZMNO-UHFFFAOYSA-N 293.323 3.520 5 40 CHBB c1ccc2c(c1)[nH]c1c2cc[n+]2cc3c(cc12)CCCC3 13826681 UQVUEULZDJRMJR-UHFFFAOYSA-O 273.359 3.939 5 40 CHBB biogenic,in-vitro CCc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 799353 IIPSXLHBLQSPHB-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB O=[N+]([O-])c1ccc(NCc2ccccc2)c(Cl)c1 8078750 RXDKWNPDGOXZON-UHFFFAOYSA-N 262.696 3.860 5 40 CHBB Cc1c(NC(=O)NC2CCCCCC2)cccc1[N+](=O)[O-] 40099085 ZABNXAVMFGSDQW-UHFFFAOYSA-N 291.351 3.748 5 40 CHBB COC(=O)c1c(C(=O)OC)c2ccccc2c2ccccc12 95890243 WEPVTCONVQKCCV-UHFFFAOYSA-N 294.306 3.566 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c([C@H]2OCC[C@@H]3CCCCN32)c1 13555763 JSWCLPVPOMBNDT-IINYFYTJSA-N 296.754 3.522 5 40 CHBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 5782611 RTIWYSMZOYALDS-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB O=C(O)c1cc(-c2ccccc2)nc2c([N+](=O)[O-])cccc12 1709754 ZPBCZAOGVIOUQA-UHFFFAOYSA-N 294.266 3.508 5 40 CHBB CC(C)(C)CC(C)(C)NCc1cccc([N+](=O)[O-])c1 6857423 WGWMDSXJCHPZOA-UHFFFAOYSA-N 264.369 3.899 5 40 CHBB CCC(C)(C)CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 73099067 JOMQNSXZSXXEDE-UHFFFAOYSA-N 290.363 3.700 5 40 CHBB O=C(O)C12CC(c3c4ccccc4nc4ccccc34)(C1)C2 575624083 CFLMXKCSPOTAAM-UHFFFAOYSA-N 289.334 3.894 5 40 CHBB CCc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 6603531 YATLMZGDBDEMID-UHFFFAOYSA-N 288.332 3.610 5 40 CHBB O=C(Nc1ccccc1)c1coc2ccc([N+](=O)[O-])cc12 4743526 LLTQMGHVVVVKNR-UHFFFAOYSA-N 282.255 3.593 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 5513362 YJCISKBGTCSVRJ-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1O 8188151 TUEZYRDUXIZDJD-UHFFFAOYSA-N 292.335 3.599 5 40 CHBB O=[N+]([O-])c1c(Sc2ccccc2F)nc2sccn12 8337079 RLLVIQGHKIALQE-UHFFFAOYSA-N 295.320 3.594 5 40 CHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CC(C)C 14258321 PMLDAIYBOCJNEW-UHFFFAOYSA-N 270.716 3.541 5 40 CHBB Cc1cc(C(=O)O[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] 12949203 ZDJIFFYFQMWWDF-MRXNPFEDSA-N 297.310 3.748 5 40 CHBB COc1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12 34188648 PBZKQEZQHWTOOU-UHFFFAOYSA-N 281.336 3.905 5 40 CHBB C[C@@H]1CCCCN1c1ccc(Cl)cc1[N+](=O)[O-] 45886198 JCFHVIGZNHLRNK-SECBINFHSA-N 254.717 3.627 5 40 CHBB CC(C)(COc1ccc([N+](=O)[O-])cc1)C(F)(F)F 1083811713 HICAGSSNRDIMBQ-UHFFFAOYSA-N 263.215 3.562 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)s1 2172940 YKTAZQIYQUILDG-VOTSOKGWSA-N 275.285 3.525 5 40 CHBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 3290407 IOGPWPIPIPXYDP-UHFFFAOYSA-N 289.312 3.753 5 40 CHBB Cc1ccccc1[C@@H](OCC[N+](C)(C)[O-])c1ccccc1 2011571 XMSSICJSZNPVFX-SFHVURJKSA-N 285.387 3.675 5 40 CHBB in-vitro Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])n1 5970419 JMQYIHCTAKZZOG-UHFFFAOYSA-N 278.695 3.531 5 40 CHBB O=C(O[C@@H]1CCC[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 4990566 XHIJFYCTVFKXLY-BYCMXARLSA-N 289.331 3.720 5 40 CHBB Cc1c(C(=O)N(C)C2CCC(C)CC2)cccc1[N+](=O)[O-] 13013064 SZHONSYPKGEUTK-UHFFFAOYSA-N 290.363 3.554 5 40 CHBB O=C(c1ccccc1)c1ccc(C2CC2)c([N+](=O)[O-])c1 4599161 HUQHBCWQDOSJCE-UHFFFAOYSA-N 267.284 3.703 5 40 CHBB CCOc1ccc2cc3c(nc2n1)[nH]c1ccccc13 13207920 ZPTHMVUDIZANGW-UHFFFAOYSA-N 263.300 3.663 5 40 CHBB C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 171615 CTLJQORROKNSCN-UWVGGRQHSA-N 296.754 3.651 5 40 CHBB Cc1c(/C=C/[N+](=O)[O-])ccc2c1[nH]c1ccccc12 1627305 VLFJOKPMHZPJLY-CMDGGOBGSA-N 252.273 3.877 5 40 CHBB O=[N+]([O-])c1ccc2cc(Br)ccc2c1 345691 ZKWMOPWEZBMIDZ-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB O=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 5769704 VBNOYOAMZHVITJ-UHFFFAOYSA-N 286.070 3.974 5 40 CHBB COc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 12557627 ZQTNTXAOLHUNKE-UHFFFAOYSA-N 295.298 3.895 5 40 CHBB CC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 17024405 GIZAVLSTESILSC-UHFFFAOYSA-N 297.742 3.512 5 40 CHBB Nc1cccc(/C=C/C=C\c2cccc([N+](=O)[O-])c2)c1 4823781 NHUNDABYLZCVII-KQBQUPHGSA-N 266.300 3.904 5 40 CHBB CCOc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293222 RLZURZZYYORBHD-UHFFFAOYSA-N 285.299 3.533 5 40 CHBB C[C@@H](Sc1ccncc1[N+](=O)[O-])c1cccs1 76018395 LWFZZWYGGNQYKL-MRVPVSSYSA-N 266.347 3.905 5 40 CHBB Cc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 226291908 HPUIXHQJANHIDG-INIZCTEOSA-N 271.316 3.602 5 40 CHBB CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])cc1Cl 2744690 WIYZJWRFZCMKTB-UHFFFAOYSA-N 284.743 3.510 5 40 CHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)(C)C 14258324 JZLLIWUKMIGJEU-UHFFFAOYSA-N 270.716 3.541 5 40 CHBB O=[N+]([O-])c1c(Cl)c(Cl)c(O)c(Cl)c1Cl 4726941 KTOJSFDUFPFOBF-UHFFFAOYSA-N 276.890 3.914 5 40 CHBB CC(C)COc1ccc([N+](=O)[O-])cc1OCC(C)C 3097111 YULXLNIYDVZZSB-UHFFFAOYSA-N 267.325 3.664 5 40 CHBB O=[N+]([O-])c1ccc(OCc2ccc(F)c3cccnc23)cc1 24569628 OMEMJKYCSSZBLH-UHFFFAOYSA-N 298.273 3.861 5 40 CHBB CCCSc1nc2ccc([N+](=O)[O-])cc2s1 59040679 FWGLZIGPHMOTPY-UHFFFAOYSA-N 254.336 3.707 5 40 CHBB O=[N+]([O-])c1ccc2c3c(cccc13)C(F)(F)OC2(F)F 68590925 QFXOSKXXBIKRMX-UHFFFAOYSA-N 287.168 3.877 5 40 CHBB COc1ccc([C@H]2C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 4900455 GFAZKGFWSGMOHY-HZPDHXFCSA-N 269.300 3.875 5 40 CHBB O=Cc1ccccc1OCc1c(Cl)cccc1[N+](=O)[O-] 1440150 SFYUFXJICGMVBK-UHFFFAOYSA-N 291.690 3.640 5 40 CHBB Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2668013 NXJNINUNSFIGJN-UHFFFAOYSA-N 267.719 3.928 5 40 CHBB Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])n1 5970417 ZFTOKHQMJFHEBV-UHFFFAOYSA-N 278.695 3.531 5 40 CHBB Cc1nc(O)cc2cc3c(cc12)c1ccccc1n3C 8715874 BVERMWUKFFEASC-UHFFFAOYSA-N 262.312 3.894 5 40 CHBB C[C@H](N[C@H](C)c1cncc(F)c1)c1ccccc1[N+](=O)[O-] 96491801 VXBAALAJIYDSEC-MNOVXSKESA-N 289.310 3.541 5 40 CHBB CCCC[N+]12CCC(CC1)[C@@H](Cc1ccccc1)C2 1822275 SEKSEIXFOPYQLM-XBMUEBEBSA-N 258.429 3.886 5 40 CHBB CCCCC[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] 8427694 NIXYHUYCLHDPQA-LBPRGKRZSA-N 278.352 3.602 5 40 CHBB C[C@H]1C[C@H](C)CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 216766920 CSHJPWHAZDATNS-UWVGGRQHSA-N 268.744 3.731 5 40 CHBB CC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1F 69811194 SAJWPJNCHCSFAV-UHFFFAOYSA-N 289.262 3.516 5 40 CHBB Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 4077603 YMYLMNRLLXFUHX-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccc(Cl)c([N+](=O)[O-])c2)cc1 3029997 MOZYDTRUZPMVSA-UHFFFAOYSA-N 294.650 3.949 5 40 CHBB Cc1noc(/C=C/C=C/c2ccccc2)c1[N+](=O)[O-] 3661956 DKPBCIGIONEFBT-NXZHAISVSA-N 256.261 3.618 5 40 CHBB CCCCC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 4144602 WSROCYWNTTUDSI-GFCCVEGCSA-N 278.352 3.602 5 40 CHBB CC1(C)[C@H]2CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 4946013 SUZVZTQTTFHLJQ-UBHSHLNASA-N 289.331 3.576 5 40 CHBB CC(C)[C@H](C)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 84409901 UYLVHNMFMAJUSD-LBPRGKRZSA-N 262.353 3.604 5 40 CHBB CCc1cc([N+](=O)[O-])cc(Br)c1Cl 226315091 CYAATLZBMIEVRJ-UHFFFAOYSA-N 264.506 3.573 5 40 CHBB C[C@H]1CCCCC[N+]12CC[N+]1(CCCCC[C@@H]1C)CC2 1670742 VQPMOHZRVXUVFS-VCAKUFKGSA-N 280.500 3.559 5 40 CHBB O=C(Oc1cccc([N+](=O)[O-])c1)c1sccc1C1CC1 60476710 NRDKBPZCNOVKJY-UHFFFAOYSA-N 289.312 3.753 5 40 CHBB O=[N+]([O-])c1ccc(OCc2c(F)cccc2Cl)cc1 139037 CUBVBZHURPMQJA-UHFFFAOYSA-N 281.670 3.966 5 40 CHBB Cc1ccc2nc(C)n3c4ccccc4c(NC=O)c3c2c1 543767 CITYEZKZATYZIE-UHFFFAOYSA-N 289.338 3.826 5 40 CHBB Cc1ccc(OC/C=C/c2cccc([N+](=O)[O-])c2)cc1 1556264 DCQCTTCPGXXVOK-HWKANZROSA-N 269.300 3.995 5 40 CHBB Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCCC1 45886344 MNDMGEKSTZXUDB-UHFFFAOYSA-N 254.717 3.547 5 40 CHBB CC[N+](CC)(CC)Cc1cc(Cl)cc2c1OCOC2 5469459 GMFHYJQJGKNXEJ-UHFFFAOYSA-N 284.807 3.583 5 40 CHBB COc1ccccc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 2431536 KKSZVUGVKVEOAK-OAHLLOKOSA-N 296.326 3.585 5 40 CHBB COc1ccc([C@H]2CN=NN2c2ccc([N+](=O)[O-])cc2)cc1 5640187 YFZYZBIXDMLKTO-OAHLLOKOSA-N 298.302 3.532 5 40 CHBB CC[C@@H](C)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H](C)CC 999384 VEYCDJFBEGIVRF-CHWSQXEVSA-N 292.379 3.942 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 7915837 MEJBXNFMGWWICP-UHFFFAOYSA-N 296.326 3.726 5 40 CHBB CCN(CC)C(=O)Nc1cc2cccnc2c2cccnc12 33643488 SKFPUKDMGACADT-UHFFFAOYSA-N 294.358 3.657 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CC/C=C/CC[C@H]12 31904628 PTVHKBNXYKHEEV-FAVCQXFFSA-N 286.331 3.526 5 40 CHBB COc1ccccc1CNc1ccc(Cl)cc1[N+](=O)[O-] 5944024 KEHSAOOEKPUDKY-UHFFFAOYSA-N 292.722 3.869 5 40 CHBB O=c1[nH]c2c3ccccc3ccc2c2cc3c(cc12)OCO3 16953228 BTCMFYBRRRWIKA-UHFFFAOYSA-N 289.290 3.563 5 40 CHBB O=c1c2cc(Cl)cc(Cl)c2oc2cc(O)cc(O)c12 30819575 JXQHWKHZHRASHW-UHFFFAOYSA-N 297.093 3.664 5 40 CHBB O=[N+]([O-])c1cccc(C=Cc2cccc([N+](=O)[O-])c2)c1 2049241003 DUTMIVLDFHVUNY-UHFFFAOYSA-N 270.244 3.673 5 40 CHBB Cc1cccc(Cl)c1Oc1cc(N)cc([N+](=O)[O-])c1 2549470 QAYAHUYCGPXYGI-UHFFFAOYSA-N 278.695 3.931 5 40 CHBB CC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 8055664 ZXLPRLNKVBJVKM-UHFFFAOYSA-N 262.309 3.542 5 40 CHBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CC2)nc1 14855556 IDXIQSMJDINZRH-HNNXBMFYSA-N 269.304 3.553 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 2064430 WWLZCNUOYKEZNF-LLVKDONJSA-N 294.351 3.758 5 40 CHBB Cc1ccc(C)n1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 91796814 FWTPRXWAVFCLHT-UHFFFAOYSA-N 299.252 3.907 5 40 CHBB Cc1ccc(-c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 216937286 ACSIQGDMSSQVDG-UHFFFAOYSA-N 281.267 3.677 5 40 CHBB CCCC[n+]1cccc([C@H]2CCC[N+]2(C)CCCC)c1 4416972 MSKARMXXRYUKSJ-QSVWIEALSA-N 276.468 3.856 5 40 CHBB CCCn1c(C)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21 1585527 WMBMQXGLEPWPSM-UHFFFAOYSA-N 287.241 3.682 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1NCc1ccc(F)cc1 4685521 JMJQZLQCULKEQA-UHFFFAOYSA-N 260.268 3.654 5 40 CHBB Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 310665 RBSSTDDYTRQJBJ-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB O=[N+]([O-])c1ccc2c(Br)ccc3c2c1CC3 1723056 OQHUVXDRGCJVEP-UHFFFAOYSA-N 278.105 3.609 5 40 CHBB COc1ccc(Sc2ccc(OC)cc2[N+](=O)[O-])cc1 68675267 RSBZSLSWHFKGHL-UHFFFAOYSA-N 291.328 3.763 5 40 CHBB Cc1cccc2c(Cl)c([N+](=O)[O-])c(Cl)nc12 95098224 JMVGJOMTLCGEAC-UHFFFAOYSA-N 257.076 3.758 5 40 CHBB Cc1ccccc1[C@H](OCC[N+](C)(C)[O-])c1ccccc1 2011569 XMSSICJSZNPVFX-GOSISDBHSA-N 285.387 3.675 5 40 CHBB in-vitro CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5121109 HPZWJYZVAHLNCT-UHFFFAOYSA-N 295.339 3.621 5 40 CHBB CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1 58394111 NQTNKCDWBMGYCV-LBPRGKRZSA-N 285.347 3.769 5 40 CHBB CC1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 37331834 XIURKSMGEBKPKF-UHFFFAOYSA-N 269.732 3.634 5 40 CHBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCCCCC1 315231 IIJAHQQGJBHMRY-UHFFFAOYSA-N 296.754 3.655 5 40 CHBB CCc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 5158533 DRGQIWRLCYUBOO-UHFFFAOYSA-N 286.287 3.599 5 40 CHBB CCc1cccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O)c1 1711052 LSKQYSLETZEAFQ-UHFFFAOYSA-N 287.271 3.648 5 40 CHBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)cc1 7098248 DCYCWGRAMMIOGJ-PVAVHDDUSA-N 296.326 3.839 5 40 CHBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cc2ccccc2o1 26759473 FOIUYZHMNBQWMJ-SNVBAGLBSA-N 283.287 3.909 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1Cl 66323199 MOVCRAVDFSTLPY-UHFFFAOYSA-N 259.998 3.920 5 40 CHBB in-vitro O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 12395821 IYWHZTZNUPTDOR-UHFFFAOYSA-N 297.236 3.677 5 40 CHBB COC(=O)c1cc2cc3ccccc3cc2cc1C(=O)OC 1614261 RUQUYFMCUMKIJP-UHFFFAOYSA-N 294.306 3.566 5 40 CHBB CCCCC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3154998 CDLBHTDMEJGALB-CNELAYHGSA-N 290.363 3.693 5 40 CHBB Cc1ccc(-n2c(C)nc3cc([N+](=O)[O-])ccc32)cc1 174446 WNHHUPDCYALTNM-UHFFFAOYSA-N 267.288 3.551 5 40 CHBB biogenic O=[N+]([O-])c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 45886526 SXJOKNQNZDDABR-UHFFFAOYSA-N 299.714 3.901 5 40 CHBB Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1 98175363 ZYLBTAJGPCACPI-UHFFFAOYSA-N 281.271 3.518 5 40 CHBB CCn1cc([N+](=O)[O-])c(Oc2ccc(Cl)c(C)c2)n1 95098569 MEVGYMBTFUUAPK-UHFFFAOYSA-N 281.699 3.565 5 40 CHBB O=[N+]([O-])c1cc(-c2ccccc2C(F)F)ccc1O 575629334 QTDXRZSXEJAXSU-UHFFFAOYSA-N 265.215 3.905 5 40 CHBB Cc1cc(Oc2ncnc3ccsc23)ccc1[N+](=O)[O-] 14109533 UTUTYKCJDQSAFA-UHFFFAOYSA-N 287.300 3.700 5 40 CHBB Cc1c(NC(=O)c2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 32736202 ATBRUARPTCCCDI-UHFFFAOYSA-N 295.298 3.637 5 40 CHBB Cc1ccc2cccc(Oc3ccc([N+](=O)[O-])cn3)c2n1 95929387 LBXFFWVISIPKMY-UHFFFAOYSA-N 281.271 3.639 5 40 CHBB O=c1oc(=O)c2cc(Cl)ccc2c2ccc(Cl)cc12 1719585 MMRSWCYQEXSCLB-UHFFFAOYSA-N 293.105 3.613 5 40 CHBB O=[N+]([O-])c1cccc(-c2nnc(Nc3ccccc3)s2)c1 2212507 ONARZJQJNPOSQV-UHFFFAOYSA-N 298.327 3.857 5 40 CHBB O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1S2 2180783 KJKKEJLSHVDFCX-UHFFFAOYSA-N 288.284 3.558 5 40 CHBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 19160677 LRURQIHTPNEDRH-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB Cc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 45888451 AULYWNAOLCJTRV-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 3482484 UXWQSQFDYDPTJG-UXBLZVDNSA-N 296.326 3.864 5 40 CHBB O=C(O)c1ccc(Nc2ccccc2Cl)c([N+](=O)[O-])c1 21788994 FINWFXICXTWSAE-UHFFFAOYSA-N 292.678 3.690 5 40 CHBB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 12986877 AJINFMFITYDLOD-UHFFFAOYSA-N 296.326 3.644 5 40 CHBB O=C(O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12 22051475 UOTHHRMRUHMJAW-UHFFFAOYSA-N 294.266 3.508 5 40 CHBB O=[N+]([O-])c1cc(F)c(Br)cc1C(F)(F)F 44172043 GFEHSQQQPODKHJ-UHFFFAOYSA-N 287.994 3.515 5 40 CHBB Cc1c(NC(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] 40526363 TWKWBYDSDCGELM-UHFFFAOYSA-N 299.330 3.567 5 40 CHBB O=[N+]([O-])c1ccccc1[C@H]1CN=NN1c1ccccc1 2044976 YSTXNWHBVMQFNQ-CQSZACIVSA-N 268.276 3.523 5 40 CHBB O=C(c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl 39082979 QXVHPTOKHQFHSA-UHFFFAOYSA-N 279.654 3.618 5 40 CHBB CCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 482797 BNSRECUZKMZEOH-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB Cc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cn2)s1 49321450 QBAZCHMBANBAPY-JTQLQIEISA-N 277.349 3.557 5 40 CHBB CCN(CC)CCC[C@H](C)Nc1ccccc1[N+](=O)[O-] 4366357 SRDKDJVJMOOKFK-ZDUSSCGKSA-N 279.384 3.517 5 40 CHBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 7792417 CEDKPSRKXSKBIW-MRXNPFEDSA-N 298.342 3.784 5 40 CHBB CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 49983465 YPYXOOOTWPRAEX-UHFFFAOYSA-N 296.754 3.653 5 40 CHBB Cc1cc(C)cc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])c1 378615 PAMUUEUPMHANIC-FOCLMDBBSA-N 295.294 3.576 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1 559796 JKBZMGZBHDPGNM-UHFFFAOYSA-N 271.276 3.547 5 40 CHBB CCOc1cc(OCC)c2c(c1)oc(=O)c1ccccc12 506179 VKKOGDSDTPSVTR-UHFFFAOYSA-N 284.311 3.744 5 40 CHBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1F 45888928 MRBZWLSANYQDSN-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB Cn1cc([C@@H](C[N+](=O)[O-])c2ccccc2)c2ccccc21 257738 RZQOLNRNTNCIGV-HNNXBMFYSA-N 280.327 3.587 5 40 CHBB Cc1ccc(NC(=S)Nc2ccccc2)c([N+](=O)[O-])c1 6275920 QXDINCZJHRAAGQ-UHFFFAOYSA-N 287.344 3.712 5 40 CHBB Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 4725771 WXOISAJGDXAIEE-UHFFFAOYSA-N 288.259 3.912 5 40 CHBB COc1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 69830904 OCDRHYJGXZQBDH-UHFFFAOYSA-N 292.722 3.869 5 40 CHBB CCSCCCOc1ccc(Cl)cc1[N+](=O)[O-] 72298280 OCIOPAOMHPWANZ-UHFFFAOYSA-N 275.757 3.770 5 40 CHBB O=[N+]([O-])c1ccc(N[C@@H](CCCO)c2ccccc2)cc1 72293902 UJZZBFDWQMJRGA-INIZCTEOSA-N 286.331 3.521 5 40 CHBB Cc1ccc2c(C[C@@H](CC(C)C)[N+](=O)[O-])c[nH]c2c1 344396 XXWKGANEANYFCL-CYBMUJFWSA-N 260.337 3.710 5 40 CHBB O=[N+]([O-])c1ccc2nc(Cl)nc(-c3ccccc3)c2c1 1762412 GYTPXLRERYNOMJ-UHFFFAOYSA-N 285.690 3.858 5 40 CHBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1F 24945262 LOVLTUAIHFDXBI-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB CC(C)(C)C1CCC(OC(=O)c2ccc([N+](=O)[O-])o2)CC1 3258334 QYVOXEPCBWRHJM-UHFFFAOYSA-N 295.335 3.950 5 40 CHBB Cn1c(-c2ccccc2)cc2c([N+](=O)[O-])cccc21 35325030 FXOROYPUGCCYLR-UHFFFAOYSA-N 252.273 3.754 5 40 CHBB Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 40095729 OUBPVHDIRRYIGF-UHFFFAOYSA-N 299.330 3.533 5 40 CHBB O=[N+]([O-])c1cc2ccccc2nc1-c1ccc2c(c1)OCO2 1843082 CKBLORQKODCHEW-UHFFFAOYSA-N 294.266 3.539 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CC/C=C/CC[C@@H]12 102706325 PTVHKBNXYKHEEV-FEDHDSKHSA-N 286.331 3.526 5 40 CHBB Cc1c(C=O)c2ccccc2n1Cc1ccccc1[N+](=O)[O-] 6571266 WDORVYPKMJWDTQ-UHFFFAOYSA-N 294.310 3.719 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCc1cccnc1 4280435 BLKZGLKQKZTLHU-UHFFFAOYSA-N 298.129 3.909 5 40 CHBB Cc1cc(/C=C/c2ccccc2N)c([N+](=O)[O-])cc1[N+](=O)[O-] 3845207 BTJRRYMDLAROMV-VOTSOKGWSA-N 299.286 3.564 5 40 CHBB Cc1c(NC(=O)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 12980033 JMUSTNMUQQXAHA-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB Cc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 226293272 QIEGPOXBGWBQFI-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)c1 7098259 VTGAGWGOONNCJK-PVAVHDDUSA-N 296.326 3.839 5 40 CHBB C[C@@H]1CC[C@@H](C)N1c1ccc(Br)cc1[N+](=O)[O-] 84689521 LSDRUSWNMGWFJC-RKDXNWHRSA-N 299.168 3.735 5 40 CHBB Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccccc1 5573872 XVQBQEYCDBPXPA-INIZCTEOSA-N 280.327 3.656 5 40 CHBB O=[N+]([O-])c1cnc2cc(Cl)c(F)cc2c1Cl 256052196 MHOFVVBLXCRXCP-UHFFFAOYSA-N 261.039 3.589 5 40 CHBB CC(C)c1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C(C)C 685938650 YCCJQHKYALVROA-UHFFFAOYSA-N 274.320 3.683 5 40 CHBB CC(C)[C@@H](c1ccccc1)[C@@H](O)CC[N+]1(C)CCCCC1 1748000 SMOSFFGOYXWICC-OALUTQOASA-N 290.471 3.808 5 40 CHBB in-man C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 17024410 HWCBZJXWKBGIHZ-VIFPVBQESA-N 297.742 3.512 5 40 CHBB Cc1ccc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 19164643 MMABGGQHUAGNOH-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 19845416 FTVSWMNMYHUQPE-UHFFFAOYSA-N 293.275 3.583 5 40 CHBB O=c1oc2ccccc2c(Sc2ccccc2)c1[N+](=O)[O-] 342089 LRALDMLMRMLCHI-UHFFFAOYSA-N 299.307 3.852 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2O 1673265 XCQKPLNVOOYNLO-ZDUSSCGKSA-N 296.109 3.964 5 40 CHBB CC(C)(C)OC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 49002091 QSPZPPNAGGOCFE-UHFFFAOYSA-N 272.688 3.595 5 40 CHBB CC(=O)Nc1ccc(C=Cc2ccccc2)c([N+](=O)[O-])c1 2049238496 KFYVAPJUVZWSJA-UHFFFAOYSA-N 282.299 3.724 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 20106983 UUZIHECTCMHSLU-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1Cl 153110 AOWBNTITDQLWTN-UHFFFAOYSA-N 257.076 3.692 5 40 CHBB Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 4740700 GONKMELUHSNVCH-UHFFFAOYSA-N 291.690 3.776 5 40 CHBB O=[N+]([O-])c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 3184490 DLJPDAHCABYQTO-UHFFFAOYSA-N 290.300 3.795 5 40 CHBB C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 24233780 ZQKYWYMUIGUOQW-SECBINFHSA-N 291.332 3.539 5 40 CHBB Cc1c(NC(=O)N[C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] 43348193 BGNOLECQVKCMFZ-PWSUYJOCSA-N 291.351 3.603 5 40 CHBB Cc1ccc(NC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 6814157 HPOVXJUKYBNAEO-UHFFFAOYSA-N 289.266 3.686 5 40 CHBB O=[N+]([O-])c1ccc(CSc2ncnc3ccccc23)cc1 3255298 YVAKWSMPQOHQDS-UHFFFAOYSA-N 297.339 3.830 5 40 CHBB CCCCC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1 1710617 PXNIKAYKHCUSLR-UHFFFAOYSA-N 265.309 3.720 5 40 CHBB Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 5688021 HXTLFUDZKMJJPH-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB CC[C@@H](C)Oc1c(Cl)cc(/C=C/[N+](=O)[O-])cc1OC 1076260 MFBBBQDHJFZUGP-VUHVRTRXSA-N 285.727 3.773 5 40 CHBB O=[N+]([O-])c1ccc(OCc2cc(-c3ccccc3)on2)cc1 7889641 YBEOAUKBLCEEML-UHFFFAOYSA-N 296.282 3.829 5 40 CHBB CC(C)Cc1c2cn[nH]c2nc2c1oc1cc(O)ccc12 96222416 UVTNMEOMYAJONL-UHFFFAOYSA-N 281.315 3.761 5 40 CHBB biogenic C[n+]1c(/C=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc21 6519999 ASPNAPINZYWCEG-DHZHZOJOSA-N 297.359 3.804 5 40 CHBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 6922377 USPCXHDFKGGWNR-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CC[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] 21797194 RBHPBFDQAGRXEH-ZETCQYMHSA-N 273.130 3.568 5 40 CHBB Cc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 137030152 OCLFLAPZHGVTPL-INIZCTEOSA-N 280.327 3.885 5 40 CHBB O=[N+]([O-])c1cc(F)ccc1Nc1cccc(F)c1 4933953 GBPRQZYYXVDFTE-UHFFFAOYSA-N 250.204 3.617 5 40 CHBB Cc1ccccc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 16946754 XQAIMDMJPWAWBA-UHFFFAOYSA-N 296.282 3.753 5 40 CHBB CCc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 36623346 CDTHPLLUNVQOGO-LBPRGKRZSA-N 298.342 3.648 5 40 CHBB O=[N+]([O-])c1ccc(-c2nc(Cl)c3ccccc3n2)cc1 145936 QSGBEFYDNWEKDW-UHFFFAOYSA-N 285.690 3.858 5 40 CHBB COc1ccc([N+](=O)[O-])c2cc3ccccc3cc12 345443 GJGGUFUXWDXASP-UHFFFAOYSA-N 253.257 3.910 5 40 CHBB Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 225064991 JZYOATFFDZKBSY-UHFFFAOYSA-N 298.342 3.701 5 40 CHBB O=C(Nc1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] 5217352 UYOVKSNCGWAOJB-UHFFFAOYSA-N 291.694 3.892 5 40 CHBB Cc1cc2ncn(Cc3cccc([N+](=O)[O-])c3)c2cc1C 25218755 SZOQJOXQCXEUNZ-UHFFFAOYSA-N 281.315 3.610 5 40 CHBB Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 196094693 XPLMBPXXOYDEFI-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB [O-][N@@+]1(Cc2ccccc2Cl)CCc2sccc2C1 247444471 YEICEJCPALKCAT-MRXNPFEDSA-N 279.792 3.972 5 40 CHBB world CCc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c2c1=O 685938158 KZVQZVJXBGLDOW-UHFFFAOYSA-N 294.310 3.666 5 40 CHBB C[C@](Cc1ccccc1)(c1ccccc1)[N+](C)(C)C 1664089 FLJWMWBRLCXEMH-SFHVURJKSA-N 254.397 3.851 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1F 7943130 BMBNSDSWQLQZFI-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB O=c1c2ccccc2cc2sc3ccccc3n12 23673574 NRFZZIVVZVVOED-UHFFFAOYSA-N 251.310 3.667 5 40 CHBB CC(C)(C)NC(=O)Nc1cc2ncccc2c2cccnc12 33663544 UGEMMSODWFAGSG-UHFFFAOYSA-N 294.358 3.703 5 40 CHBB Nc1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)ccc1Cl 216926420 PZFPUJXSLGYILY-UHFFFAOYSA-N 289.678 3.639 5 40 CHBB Cc1ccc(C(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)cc1 6029700 MGNMXMBWGFBLSS-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CCc1ccc(NC(=O)c2cc(C)oc2C)cc1[N+](=O)[O-] 12552155 ZLVOPPLJZCATJV-UHFFFAOYSA-N 288.303 3.619 5 40 CHBB O=[N+]([O-])c1cccc(NCc2c[nH]c3ccccc23)c1 48106379 HBBMEUIUANBVMB-UHFFFAOYSA-N 267.288 3.688 5 40 CHBB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 6034083 BNFGZBAMSVCBGW-UHFFFAOYSA-N 288.347 3.524 5 40 CHBB C[N+](C)(C/C=C\c1ccccc1)Cc1ccccc1 8614716 USBBCICLUMRGCW-ZROIWOOFSA-N 252.381 3.976 5 40 CHBB Cc1cc([N+](=O)[O-])sc1N1CCc2ccccc2C1 58358218 IOHQHZVNOUMUIA-UHFFFAOYSA-N 274.345 3.527 5 40 CHBB Cc1ccc(SC(=O)c2ccccc2[N+](=O)[O-])cc1 1467446 KUIPKMHSQYKLKP-UHFFFAOYSA-N 273.313 3.836 5 40 CHBB C/C(=C\C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 98042650 MXQBZIWYDRFABN-USKTWTLRSA-N 275.304 3.555 5 40 CHBB CC[C@H]1CN2C(=N1)c1ccccc1-c1cc([N+](=O)[O-])ccc12 5500029 NZPHTKRPQOSOOQ-NSHDSACASA-N 293.326 3.621 5 40 CHBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 250236 GPROWJNVADXBLG-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB Cc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cn2)s1 49321447 QBAZCHMBANBAPY-SNVBAGLBSA-N 277.349 3.557 5 40 CHBB O=[N+]([O-])c1ccc2cccc(Br)c2c1 71256809 XIVCVTNUMYCGAX-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB Cc1ccc(NC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 6923002 MEXBKKNKMHGODX-UHFFFAOYSA-N 285.303 3.856 5 40 CHBB Cc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 226293071 XHWYATKUAJZMHB-INIZCTEOSA-N 271.316 3.602 5 40 CHBB O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)cc1 347968 KEJBDGQLLLLBGE-UHFFFAOYSA-N 256.286 3.872 5 40 CHBB O=[N+]([O-])c1ccc(Oc2cc(F)c(F)c(F)c2)cc1 95836327 GUMXSEHNBDPWNG-UHFFFAOYSA-N 269.178 3.804 5 40 CHBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 3452729 LRPDEKCXEDPKSP-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB CC(=O)c1ccc(NCCc2cccs2)c([N+](=O)[O-])c1 7981841 NWWPIVNMNKKNQE-UHFFFAOYSA-N 290.344 3.514 5 40 CHBB CCc1cccc(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-] 5667724 UJJCGHCDLLEERU-UHFFFAOYSA-N 298.342 3.647 5 40 CHBB CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 4598980 XIBGBAZJSRXDBR-UHFFFAOYSA-N 270.716 3.623 5 40 CHBB O=[N+]([O-])c1cc(SC(F)(F)F)ccc1Cl 3220569 DEEBRJXOPCZLRT-UHFFFAOYSA-N 257.620 3.860 5 40 CHBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2)cc1 1683202 NQKCYXDZXDGEOV-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1Cl 5692025 CJYIBSXZDFHURB-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB Cc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 6272612 FJRHUJGUWGTYRW-CSKARUKUSA-N 296.326 3.864 5 40 CHBB Cc1cc([N+](=O)[O-])sc1N1CCC(n2cccc2)CC1 58554893 PGXOPVFKBFAMCA-UHFFFAOYSA-N 291.376 3.608 5 40 CHBB O=[N+]([O-])c1cc(Cl)c(Cl)cc1N1CCCC1 5125265 UGHSILWYVYUBEE-UHFFFAOYSA-N 261.108 3.502 5 40 CHBB CC(C)(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 6882963 WJFAYJAEJKESSY-UHFFFAOYSA-N 299.330 3.540 5 40 CHBB Cc1ccc([C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)cc1 10443011 GIAZKJLUIZOGMK-GFCCVEGCSA-N 285.299 3.821 5 40 CHBB CCC[N@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC 247638781 FZNOTFUEKQEKDG-OAQYLSRUSA-N 292.511 3.572 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1C 40095735 QVUGAESWPVYOOJ-GXFFZTMASA-N 291.351 3.603 5 40 CHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 500070 HYIHKBFQELCVKB-MRXNPFEDSA-N 298.342 3.722 5 40 CHBB O=C(Sc1ccccc1)c1ccc([N+](=O)[O-])cc1 1688783 OJZKFJGPRODCAB-UHFFFAOYSA-N 259.286 3.527 5 40 CHBB CC(=O)c1cccc(Nc2ccc([N+](=O)[O-])c(C)c2)c1 11691819 YVIRJYBJXKWDTH-UHFFFAOYSA-N 270.288 3.849 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 9428869 WEEHNBNVAYPJQS-UHFFFAOYSA-N 293.275 3.583 5 40 CHBB O=C1CCCC[C@H]1Sc1ccc(Cl)cc1[N+](=O)[O-] 339738 ZXIMBCISGJLOOR-GFCCVEGCSA-N 285.752 3.852 5 40 CHBB O=C(Nc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 8313381 KVADGBCUHQUWHM-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB CC(=O)c1ccc(Oc2cncc(Cl)c2)c([N+](=O)[O-])c1 77899863 MMZMYGCXJJBZJX-UHFFFAOYSA-N 292.678 3.638 5 40 CHBB O=[N+]([O-])c1ccc(OCc2ccccc2)c(Cl)c1F 218788806 AGHFGANMNDXZBT-UHFFFAOYSA-N 281.670 3.966 5 40 CHBB Cc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccc(F)cc1 6816090 BNRCMHFRXFIOMA-UHFFFAOYSA-N 289.266 3.686 5 40 CHBB CC[N+](C)(CC)C[C@H](c1ccccc1)C1(O)CCCC1 1670713 KPMNTFAMMHXGCB-QGZVFWFLSA-N 276.444 3.562 5 40 CHBB O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)cc1 21805130 JUDCNWPXYMSGHM-UHFFFAOYSA-N 262.696 3.860 5 40 CHBB CCc1cc([N+](=O)[O-])cc2nc(-c3cccc(OC)c3)oc12 73642656 YQXVWVDAOWKMDD-UHFFFAOYSA-N 298.298 3.974 5 40 CHBB CCc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)cc1 226291631 FSXCQZQPQGUXCX-UHFFFAOYSA-N 269.300 3.697 5 40 CHBB c1ccc2c(c1)ccc1cc3c(cc12)C[N+]1(CCOCC1)C3 3056876 URSFERIRPBBOOU-UHFFFAOYSA-N 290.386 3.854 5 40 CHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CCC=CCC[C@H]12 18144308 PTVHKBNXYKHEEV-KBPBESRZSA-N 286.331 3.526 5 40 CHBB C[C@]1(c2ccc(C[N+](C)(C)C)cc2)OCc2ccccc21 4795621 YGBVBOZPBOHIKR-LJQANCHMSA-N 282.407 3.687 5 40 CHBB CCCCC[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 4144605 WSROCYWNTTUDSI-LBPRGKRZSA-N 278.352 3.602 5 40 CHBB CCc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)nc1 16890909 LCBCKDRODLIWJH-YWEYNIOJSA-N 254.289 3.723 5 40 CHBB O=[N+]([O-])c1ccc(CNCc2ccccc2Cl)cc1 16449748 WGFOUFZLQOBJBU-UHFFFAOYSA-N 276.723 3.538 5 40 CHBB CC(=O)OCC(=O)c1cc2ccccc2c2ccccc12 575359124 UNKCWNSPYWRPLF-UHFFFAOYSA-N 278.307 3.739 5 40 CHBB Cc1noc(/C=C/c2c[nH]c3ccccc23)c1[N+](=O)[O-] 239563082 TYTUJIWHWSNPNS-UHFFFAOYSA-N 269.260 3.543 5 40 CHBB Cc1c(NC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] 485157 NXMVIHTWPMZJOU-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Nc1cc2c(cc1Cl)[nH]c(=O)c1cc(Cl)ccc12 16928798 MJIXSNZBXOJYLA-UHFFFAOYSA-N 279.126 3.570 5 40 CHBB O=[N+]([O-])c1ccc(-c2cn3ccc4ccccc4c3n2)o1 196149 YUQYRKKKEDHWAC-UHFFFAOYSA-N 279.255 3.656 5 40 CHBB Cc1cc(C)cc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 12082682 HMOGRDQSTXLQKX-UHFFFAOYSA-N 294.314 3.898 5 40 CHBB Cc1ccccc1/N=c1/c([N+](=O)[O-])c(O)oc2ccccc12 102534987 APCUUXCOLSYDQW-SAPNQHFASA-N 296.282 3.587 5 40 CHBB O=[N+]([O-])c1cccnc1Nc1ccc(-c2nccs2)cc1 7186924 LHWJNWYXJVCYEA-UHFFFAOYSA-N 298.327 3.857 5 40 CHBB CC(=O)c1cc2cc3cc(C(C)=O)c(C)nc3cc2nc1C 3845047 OZRMSYBAGNVOAD-UHFFFAOYSA-N 292.338 3.805 5 40 CHBB biogenic CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=O 4179493 PYVLRSNIZCBPOF-UHFFFAOYSA-N 278.352 3.526 5 40 CHBB CC[N+](C)(CC)C[C@@H](c1ccccc1)C1(O)CCCC1 6424785 KPMNTFAMMHXGCB-KRWDZBQOSA-N 276.444 3.562 5 40 CHBB Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1C 21800831 FFQZOHJTHYBMAS-UHFFFAOYSA-N 286.287 3.653 5 40 CHBB O=[N+]([O-])c1cccc(OCc2cc(-c3ccccc3)no2)c1 95946924 JSOGWUACHZJMSY-UHFFFAOYSA-N 296.282 3.829 5 40 CHBB CN(CC1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 32779536 HGXJVBQPROKLPR-UHFFFAOYSA-N 291.351 3.639 5 40 CHBB Cc1cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 40510839 KOGSFGFKPHZXHX-UHFFFAOYSA-N 295.298 3.637 5 40 CHBB O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)nc1 60846331 XPQAZLGEBVDEHX-UHFFFAOYSA-N 280.736 3.936 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccc(Br)o2)cc1 3199996 UOHVSYMQASLEKN-UHFFFAOYSA-N 284.065 3.743 5 40 CHBB Cc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 46062630 RGGSIUXELQJGCM-UHFFFAOYSA-N 299.330 3.567 5 40 CHBB O=[N+]([O-])c1cc(F)cc(F)c1Nc1ccccc1 4933958 HVXZGKOUWMQTFO-UHFFFAOYSA-N 250.204 3.617 5 40 CHBB Cc1cc2nc(O)c3c(O)c4ccccc4c-3nc2cc1C 103898610 NTNFZDKBDZUAOK-UHFFFAOYSA-N 290.322 3.916 5 40 CHBB CCc1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@@H](C)C1 226315593 OLMHLKZXNPGLTK-VXGBXAGGSA-N 262.353 3.640 5 40 CHBB C[C@@H]1CCCCN1c1c(Cl)cccc1[N+](=O)[O-] 45958988 XFKSBQRHOQGONE-SECBINFHSA-N 254.717 3.627 5 40 CHBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccs1 72228654 VIWXQDYBGGUGCT-UHFFFAOYSA-N 276.317 3.525 5 40 CHBB CC(C)(COc1ccccc1[N+](=O)[O-])C(F)(F)F 1565673187 YUVTVSGGUCEEKP-UHFFFAOYSA-N 263.215 3.562 5 40 CHBB CC(=O)c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 6186578 CMVJUJABTZQQFZ-UHFFFAOYSA-N 277.301 3.683 5 40 CHBB CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])cc1 1599519 ZOSBBNCIMHOFJM-UHFFFAOYSA-N 278.352 3.637 5 40 CHBB CCCCCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1OC 3668397 ICWRGSDKEOUDES-BENRWUELSA-N 279.336 3.902 5 40 CHBB biogenic Cc1cccc([N+](=O)[O-])c1NC(=S)Nc1ccccc1 6256762 WFDMKCDMDJSDIM-UHFFFAOYSA-N 287.344 3.712 5 40 CHBB O=C(O)c1sc2c([N+](=O)[O-])ccc(Cl)c2c1Cl 228961444 OVZIEVBLSZVCJH-UHFFFAOYSA-N 292.099 3.815 5 40 CHBB O=[N+]([O-])c1cccc(CNC2CCCCCCC2)c1 7523497 KECUSZGKJUAQMW-UHFFFAOYSA-N 262.353 3.797 5 40 CHBB O=Cc1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1 1406791 RBHHYMGPXKVVIR-UHFFFAOYSA-N 286.070 3.974 5 40 CHBB Cc1ccc(C)c(/C=C/c2noc(C)c2[N+](=O)[O-])c1 8039335 MMUSPRCRQUKVPD-VOTSOKGWSA-N 258.277 3.678 5 40 CHBB O=[N+]([O-])c1ccc2c(Br)csc2c1 95635295 CXDYUPRHJODLJC-UHFFFAOYSA-N 258.096 3.572 5 40 CHBB in-vitro Cc1c/c(=N\c2cccc([N+](=O)[O-])c2)c2cccc(C)c2[nH]1 112335 ATSPISXBGSVNJB-UHFFFAOYSA-N 293.326 3.925 5 40 CHBB CN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])s1 48302564 FFJLDXTUVSGVMT-UHFFFAOYSA-N 284.287 3.571 5 40 CHBB O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CC2)nc1 14855554 IDXIQSMJDINZRH-OAHLLOKOSA-N 269.304 3.553 5 40 CHBB CC(C)(C)NCc1cccc2nc3ccccc3nc12 85390685 YBKRFVYOVVTPEN-UHFFFAOYSA-N 265.360 3.671 5 40 CHBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)Cc1ccccc1 45888382 SROSHABOQUCMPA-UHFFFAOYSA-N 298.342 3.647 5 40 CHBB C[C@H](c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 642882513 GBWGSCMZDTXIJU-LLVKDONJSA-N 294.314 3.532 5 40 CHBB CCCC[C@@H](CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 5713378 AHIJOWQNWBKSLX-LLVKDONJSA-N 264.325 3.750 5 40 CHBB Cc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 3566417 XLFFSMQMONAKMH-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)OCc1ccccc1 5328320 HHRMVEUXQNUUEG-UHFFFAOYSA-N 286.287 3.652 5 40 CHBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 20453357 GQGXDPIWHVJLOW-ZDUSSCGKSA-N 298.342 3.703 5 40 CHBB CCOc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2518450 DJYWZXDFSPMMTR-UHFFFAOYSA-N 273.288 3.573 5 40 CHBB CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(OC)c2c1 4312108 SLTOYZQBCHIYGO-UHFFFAOYSA-N 298.298 3.704 5 40 CHBB CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 69775212 TZSQZQPIURAMDG-UHFFFAOYSA-N 294.326 3.527 5 40 CHBB O=[N+]([O-])c1ccccc1Oc1ccnc2ccccc12 95951756 GPPZKNGUAZXHOA-UHFFFAOYSA-N 266.256 3.935 5 40 CHBB Cc1cccc(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 82087011 IZLPGIBFLGNKPT-NSHDSACASA-N 297.314 3.920 5 40 CHBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 3512270 ZXOYKOFPKHZWTG-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB CC(C)(C)c1cccc2nc3cccc(O)c3nc12 76495219 HIESFJWJSSUGPP-UHFFFAOYSA-N 252.317 3.786 5 40 CHBB NC(=S)Nc1cc2ccccc2c2ccccc12 8672498 XLVBYILFFQBEOQ-UHFFFAOYSA-N 252.342 3.649 5 40 CHBB CC(C)CO[C@@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1 5481760 MKCYZLGVKVJMFE-YTYFACEESA-N 290.427 3.890 5 40 CHBB CC[N+](C)(CC)CCCC[N+]1(C)C[C@H]2CCCC[C@H]2C1 17315727 PIKSGYKVZXNGNR-UFRUDQCGSA-N 282.516 3.520 5 40 CHBB CN(C(=O)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 5064788 XSUWPIKBHCMWSA-UHFFFAOYSA-N 288.328 3.943 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1 5336876 ODDCKKSCVCGMFP-UHFFFAOYSA-N 287.344 3.712 5 40 CHBB CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 23282224 KUEHVBCJJRNQMI-VQHVLOKHSA-N 274.364 3.873 5 40 CHBB O=[N+]([O-])c1cccc(OCc2cc(F)cc3cccnc23)c1 46027898 QUVHZFLPIHWKNL-UHFFFAOYSA-N 298.273 3.861 5 40 CHBB CC1(C)[C@H]2CC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 4946014 SUZVZTQTTFHLJQ-FPMFFAJLSA-N 289.331 3.576 5 40 CHBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccco3)no2)c1 22120208 HJSRSEXPXDPZJX-UHFFFAOYSA-N 291.650 3.558 5 40 CHBB O=[N+]([O-])c1ccccc1NCc1ccc(Cl)cc1 4052918 SZZVWACUPHPHBD-UHFFFAOYSA-N 262.696 3.860 5 40 CHBB Cc1ccc(C)c(C(=O)c2cccc([N+](=O)[O-])c2C)c1 226291650 AAVFFPUIOMCLOG-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 2760912 JKJMPBDHRWVJJX-OAHLLOKOSA-N 298.342 3.784 5 40 CHBB CCCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 6040116 WSIQACPKDZJNOC-UHFFFAOYSA-N 293.348 3.723 5 40 CHBB CC/C(=C\c1cccc([N+](=O)[O-])c1)c1ccncc1 8581545 DSZPOTNQNUSBCM-JLHYYAGUSA-N 254.289 3.940 5 40 CHBB CCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 40952478 DBPLHRZYUQCCPY-UHFFFAOYSA-N 268.272 3.965 5 40 CHBB O=[N+]([O-])/C=C/c1ccc2c(ccn2Cc2ccccc2)c1 37418 PWAJOQMAZBVOOC-DHZHZOJOSA-N 278.311 3.937 5 40 CHBB O=[N+]([O-])c1cccc(/C=C/COc2ccccc2)c1 17005704 GVCVNXUHAOHCLP-FNORWQNLSA-N 255.273 3.687 5 40 CHBB O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 335546 RKACIMFISLRTHK-UHFFFAOYSA-N 296.326 3.726 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])ccc1C 1556250 XHNMMYUUAOIMIQ-UHFFFAOYSA-N 272.260 3.787 5 40 CHBB Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 3043663 GKFDTYGSNKCQHO-UHFFFAOYSA-N 274.232 3.604 5 40 CHBB C1CCC(CC[N+]23CC[N+](CCC4CCCC4)(CC2)C3)C1 19319550 DRSWWUKTYKRCFJ-UHFFFAOYSA-N 292.511 3.765 5 40 CHBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CC(C)(C)C 40466649 RDJNCVUCMYYSAA-NSHDSACASA-N 278.352 3.550 5 40 CHBB C[C@@H]1CS[C@@H](/C=C/c2ccccc2[N+](=O)[O-])S1 13403325 FSFJFWRVPPIIFR-HHPMHXJSSA-N 267.375 3.803 5 40 CHBB O=[N+]([O-])c1ccccc1N[C@H]1C[C@@H]1c1ccccc1 44416517 RINDMNJRVBMIDW-OCCSQVGLSA-N 254.289 3.563 5 40 CHBB Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C)CC1 45886377 UUAMKSMZLFJBQA-UHFFFAOYSA-N 268.744 3.793 5 40 CHBB O=C(O[C@H]1C=CCCCCC1)c1ccc([N+](=O)[O-])cc1 1711972 XDRNSOJKKJUDTM-AWEZNQCLSA-N 275.304 3.641 5 40 CHBB Cc1cc(C)cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 63843 FAQNGVLIZNUXHI-VOTSOKGWSA-N 296.326 3.864 5 40 CHBB CCCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2736563 DUBMQFMXSSJZJT-GFCCVEGCSA-N 278.352 3.602 5 40 CHBB C[n+]1c(/C=C/c2ccc([N+](=O)[O-])cc2)ccc2ccccc21 8580741 YKPNKOHUGJBFEJ-UXBLZVDNSA-N 291.330 3.743 5 40 CHBB Cc1cc([C@@H]2CCCN2c2sc([N+](=O)[O-])cc2C)no1 65488130 IOGPBUCGNRMHCP-NSHDSACASA-N 293.348 3.603 5 40 CHBB Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 3898635 DOIFYXAORRKWPC-UHFFFAOYSA-N 279.296 3.556 5 40 CHBB O=[N+]([O-])c1cccc(OCCCC(F)(F)C(F)(F)F)c1 1083811018 MWYIAGACFIFCGH-UHFFFAOYSA-N 299.195 3.951 5 40 CHBB CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)s1 12336350 MDEHKNURHIOVCI-UHFFFAOYSA-N 277.301 3.500 5 40 CHBB CCN(CC)CCC[C@@H](C)Nc1ccccc1[N+](=O)[O-] 5422161 SRDKDJVJMOOKFK-CYBMUJFWSA-N 279.384 3.517 5 40 CHBB CCN(CC)C(=O)Nc1cc2ccncc2c2ncccc12 6139140 PHMAHKZYXHOVEQ-UHFFFAOYSA-N 294.358 3.657 5 40 CHBB CN(C)C(=S)Nc1ccc2cc3ccccc3nc2c1 107969299 LXMREHGJWTVUKP-UHFFFAOYSA-N 281.384 3.646 5 40 CHBB O=[N+]([O-])c1cccnc1NCc1ccc(Cl)cc1Cl 23486750 QEBQKCFDYPBDMA-UHFFFAOYSA-N 298.129 3.909 5 40 CHBB c1ccc2[nH]c3[nH]c4[nH]c5ccccc5[nH]c4[nH]c3[nH]c2c1 1642478 AOGQIXJJKLLVEU-UHFFFAOYSA-N 290.330 3.955 5 40 CHBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c(C)cc3ccccn23)cc1 3207282 XAYAZUUBKPBFDF-QGZVFWFLSA-N 294.354 3.965 5 40 CHBB C[C@H]1CCCCN1c1ccc(Cl)cc1[N+](=O)[O-] 45886202 JCFHVIGZNHLRNK-VIFPVBQESA-N 254.717 3.627 5 40 CHBB Cc1c([N+](=O)[O-])ccc(C(C)C)c1Br 113029798 OMWPIBXXSXCNJH-UHFFFAOYSA-N 258.115 3.789 5 40 CHBB O=C(Oc1cccc2ccccc12)c1ccc([N+](=O)[O-])o1 4129082 FXUZDUAQIFWDOB-UHFFFAOYSA-N 283.239 3.560 5 40 CHBB O=C(Nc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] 5514988 DSBMHROGLBNQLD-UHFFFAOYSA-N 291.694 3.892 5 40 CHBB O=c1c2ccc(Cl)cc2[nH]c2ccc(Cl)cc12 5479730 XZQOGWRQSKDVJW-UHFFFAOYSA-N 264.111 3.988 5 40 CHBB CCCC[N+]12CCC(CC1)[C@H](Cc1ccccc1)C2 1822274 SEKSEIXFOPYQLM-JLAWEPINSA-N 258.429 3.886 5 40 CHBB CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cs1 95960920 ZNHSPHMLSQYVRU-VIFPVBQESA-N 292.364 3.743 5 40 CHBB Cc1c(NC(=O)NC2CCC(C)CC2)cccc1[N+](=O)[O-] 40099077 KMUCKZKPXPBFNB-UHFFFAOYSA-N 291.351 3.603 5 40 CHBB O=[N+]([O-])c1cccc(Cl)c1N1CCC2(CC1)CC2 1772715133 GFLKUXTZUMQRIJ-UHFFFAOYSA-N 266.728 3.629 5 40 CHBB O=[N+]([O-])c1cccc(OCc2cc(-c3ccccc3)on2)c1 15544902 GRSYMUIYECLEGV-UHFFFAOYSA-N 296.282 3.829 5 40 CHBB O=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3s2)c1 4777807 NJTASTNGXOTNOF-UHFFFAOYSA-N 272.285 3.577 5 40 CHBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 5637376 VCRPNOUTUUXUNC-UHFFFAOYSA-N 296.735 3.870 5 40 CHBB C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 21328946 VZULFHHEPFPNIC-SNVBAGLBSA-N 289.262 3.652 5 40 CHBB CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 34990111 OFCCBESNUBBJSZ-UHFFFAOYSA-N 272.304 3.606 5 40 CHBB CC/N=c1\cc2oc3cc(NCC)c(C)cc3nc-2cc1C 12405225 PWLZRLVLUJPWOB-XSFVSMFZSA-N 295.386 3.902 5 40 CHBB Cc1noc(/C=C/Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 100151943 IPVPPKKMLPNYIG-VOTSOKGWSA-N 279.683 3.627 5 40 CHBB CCc1cccc(C)c1NC(=O)c1ccccc1[N+](=O)[O-] 305185 ZYMQYFIEUBZZDA-UHFFFAOYSA-N 284.315 3.718 5 40 CHBB COc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 5618947 DXTJVYRHSKNHJE-UHFFFAOYSA-N 260.676 3.608 5 40 CHBB COc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1 37977928 APQPJGWSYJFCKA-UHFFFAOYSA-N 292.722 3.869 5 40 CHBB O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])s1 567735 GTDGKCKEBVMPOI-UHFFFAOYSA-N 282.708 3.562 5 40 CHBB O=[N+]([O-])c1cc([N+](=O)[O-])c2sc3ccccc3c2c1 1735553 SQMSQEPBRABSTC-UHFFFAOYSA-N 274.257 3.871 5 40 CHBB O=[N+]([O-])c1c(OC(F)(F)Cl)cccc1C(F)(F)F 95215468 PBMBMQUHOVDEQN-UHFFFAOYSA-N 291.559 3.782 5 40 CHBB C[N+](C)(C)c1ccc(-c2ccc([N+](C)(C)C)cc2)cc1 2014445 IQYXODYDRLRVCI-UHFFFAOYSA-N 270.420 3.747 5 40 CHBB C[C@@H]1CS[C@H](/C=C\c2ccccc2[N+](=O)[O-])S1 36019026 FSFJFWRVPPIIFR-YYUOXOQSSA-N 267.375 3.803 5 40 CHBB O=[N+]([O-])c1cc(F)cc(Cl)c1OC(F)(F)Cl 95215711 RZBAYNHPYDRKQD-UHFFFAOYSA-N 275.997 3.555 5 40 CHBB C[C@@H](SC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12825461 ZQRCMPOEYKVTEU-SNVBAGLBSA-N 294.376 3.598 5 40 CHBB O=[N+]([O-])c1ccc(SCc2cccc(Cl)c2)nc1 63248250 CKBKGSBXIYGIGH-UHFFFAOYSA-N 280.736 3.936 5 40 CHBB O=c1c2ccccc2oc2cc(Br)ccc12 4696690 UEKROUJUENOVKW-UHFFFAOYSA-N 275.101 3.709 5 40 CHBB O=[N+]([O-])c1nc[nH]c1N(c1ccccc1)c1ccccc1 6694677 HZKNIJOVSXZGHF-UHFFFAOYSA-N 280.287 3.788 5 40 CHBB C[N+](C)(CC[N+](C)(C)CC1CCCC1)CC1CCCC1 526051550 FYEQPSYTTUFFKK-UHFFFAOYSA-N 282.516 3.520 5 40 CHBB O=[N+]([O-])/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 227149529 YSEUOEOTUHOYKI-AATRIKPKSA-N 294.650 3.756 5 40 CHBB NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 38081117 OJNYKAONZRQEAI-UHFFFAOYSA-N 296.685 3.638 5 40 CHBB in-vitro Cc1nn(Cc2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 5346592 KINLKYDZEBKPNG-UHFFFAOYSA-N 287.363 3.754 5 40 CHBB O=[N+]([O-])c1cccc(Cn2ccc3ccccc32)c1 6393539 MDFJHPNZVZXMEZ-UHFFFAOYSA-N 252.273 3.598 5 40 CHBB Cc1ccc(COc2ccccc2/C=C/[N+](=O)[O-])cc1 6845260 HDGMMAOBCACLQG-ZHACJKMWSA-N 269.300 3.821 5 40 CHBB O=[N+]([O-])c1ccc(Cl)cc1CNCCCC1CC1 95399866 ZWUMUNRGTCCADG-UHFFFAOYSA-N 268.744 3.528 5 40 CHBB Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 225990715 DZEUWELCMVVANO-UHFFFAOYSA-N 296.326 3.574 5 40 CHBB Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1597092 NYOFYDDSVHVPEM-UHFFFAOYSA-N 274.232 3.604 5 40 CHBB O=[N+]([O-])c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 20863119 RRPHMHSDQJKZOG-UHFFFAOYSA-N 288.690 3.980 5 40 CHBB O=[N+]([O-])c1c(F)cc(C(F)(F)F)cc1Br 169801775 ZVODHKVSJBWVLG-UHFFFAOYSA-N 287.994 3.515 5 40 CHBB CN(Cc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2s1 32052 FAHMJODBJLEGPN-UHFFFAOYSA-N 299.355 3.841 5 40 CHBB O=[N+]([O-])c1ccc(-c2ccccc2Cl)c([N+](=O)[O-])c1 1686619 FMXVGKSWAKSNEE-UHFFFAOYSA-N 278.651 3.823 5 40 CHBB O=[N+]([O-])c1cc(F)ccc1Nc1cc(F)cc(F)c1 4933959 GHFLQAUBBNJXDJ-UHFFFAOYSA-N 268.194 3.756 5 40 CHBB Cc1c(C)n(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12 953101209 SOUVTWNAINNKGP-UHFFFAOYSA-N 290.319 3.950 5 40 CHBB Cc1noc(/C=C\c2ccc(Cl)cc2)c1[N+](=O)[O-] 6167199 MCFYXKRWSJKGFP-DAXSKMNVSA-N 264.668 3.715 5 40 CHBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3NCC2)cc1 6732138 WBUPHOSGXGGISN-UHFFFAOYSA-N 267.288 3.531 5 40 CHBB O=[N+]([O-])c1cccc(-c2csc(-c3ccccn3)n2)c1 5156865 BCAQPKLXTQEGIL-UHFFFAOYSA-N 283.312 3.780 5 40 CHBB Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 9581578 DHGMECZKGZCGSP-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C)CC1 40095726 RXGSFSIIEBCMMP-UHFFFAOYSA-N 291.351 3.603 5 40 CHBB C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 17024408 HWCBZJXWKBGIHZ-SECBINFHSA-N 297.742 3.512 5 40 CHBB CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1 35018433 BUWANHBZHAHOGN-UHFFFAOYSA-N 272.304 3.606 5 40 CHBB CSc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 60900 VGCALDULWYDPIJ-UHFFFAOYSA-N 299.355 3.715 5 40 CHBB O=C1CCCC[C@@H]1Sc1ccc(Cl)cc1[N+](=O)[O-] 339736 ZXIMBCISGJLOOR-LBPRGKRZSA-N 285.752 3.852 5 40 CHBB CCCCC[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4156322 CNWTVZWQQPJXAM-SNVBAGLBSA-N 298.770 3.947 5 40 CHBB Cc1ccc(C)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 6478360 ZNLVOGPEZZSPJS-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB O=[N+]([O-])c1cccc(NCc2c(F)cccc2Cl)c1 12643346 JWBONRARZOEEPT-UHFFFAOYSA-N 280.686 3.999 5 40 CHBB CC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 5522140 BPEPYKMGVKQEGI-UHFFFAOYSA-N 286.287 3.829 5 40 CHBB CCC(CC)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1 7762819 XCMWPFGEKYXTKL-UHFFFAOYSA-N 285.367 3.834 5 40 CHBB Cc1c(NC(=O)CCc2cccs2)cccc1[N+](=O)[O-] 12599215 KFVCLRGSJQOGDU-UHFFFAOYSA-N 290.344 3.536 5 40 CHBB C[N+]1(CCCC[N+]2(C)CCCCCC2)CCCCCC1 1646440 WNBMYOAZFAQTCP-UHFFFAOYSA-N 282.516 3.808 5 40 CHBB CC[N+](C)(CC)CCC[C@H](C)[N+]1(C)C[C@H]2CCCC[C@@H]2C1 4792431 LSEJDYDMALMADN-IPMKNSEASA-N 296.543 3.908 5 40 CHBB O=[N+]([O-])c1ccccc1/C=C/c1nc2ccccc2[nH]1 3845339 ALZRDZYKWMHVTC-MDZDMXLPSA-N 265.272 3.642 5 40 CHBB O=C(OCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 1787434 RHEHNQVJTAXEMG-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB O=[N+]([O-])c1ccc(SC(F)F)cc1Br 604221777 AKENAUYCYSKZJT-UHFFFAOYSA-N 284.081 3.672 5 40 CHBB Nc1cccc(/C=C\C=C/c2cccc([N+](=O)[O-])c2)c1 17423925 NHUNDABYLZCVII-IOBHVTPZSA-N 266.300 3.904 5 40 CHBB CCCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1 408610622 QSQRQZCWCFBOCK-UHFFFAOYSA-N 286.331 3.996 5 40 CHBB Cc1cccc(C)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1708967 SZIVVJWRVXCIFW-UHFFFAOYSA-N 288.259 3.912 5 40 CHBB CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 35018439 IOELAUPMYQJCQR-UHFFFAOYSA-N 286.331 3.996 5 40 CHBB O=[N+]([O-])c1cc(/C=C/c2nc3ccccc3o2)ccc1O 57457384 DAPWHIUSFHZTMY-SOFGYWHQSA-N 282.255 3.612 5 40 CHBB CC(C)[C@@H](c1ccccc1)[C@H](O)CC[N+]1(C)CCCCC1 455 SMOSFFGOYXWICC-MOPGFXCFSA-N 290.471 3.808 5 40 CHBB in-man O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2CC[C@@H]1C2 1217609 XHMOJOKMAVMPLK-IQJOONFLSA-N 294.738 3.623 5 40 CHBB CC(=O)n1c(-c2ccccc2)c(O)c2ccc([N+](=O)[O-])cc21 3844608 LADSUZWYHOBXHE-UHFFFAOYSA-N 296.282 3.582 5 40 CHBB biogenic C/C(=C\c1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4673531 NMBUIEDXYIGYMS-ACCUITESSA-N 296.326 3.945 5 40 CHBB C[C@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 24235915 NIXSHFYUQDPTJZ-MRVPVSSYSA-N 296.373 3.551 5 40 CHBB Cc1c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc2c1=O 2657894 IHBMYWCPERKOHM-UHFFFAOYSA-N 281.267 3.677 5 40 CHBB Cc1ccc(C)c([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)c1 226291900 RNYZIWHXSITUTE-MRXNPFEDSA-N 271.316 3.602 5 40 CHBB O=[N+]([O-])c1ccc2ccc(Br)cc2c1 345690 RQVJPIMATHLQEH-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB CC[C@](C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 132696 BDJWHESLWOYZNG-INIZCTEOSA-N 266.300 3.814 5 40 CHBB Cc1nn2c3cc(Cl)ccc3nc2c2ccccc12 568583 YDLONDZCMQVZFM-UHFFFAOYSA-N 267.719 3.998 5 40 CHBB O=[N+]([O-])c1ccc(Cl)cc1-c1nc2ccccc2[nH]1 13285081 RXTKSFISKHTFHI-UHFFFAOYSA-N 273.679 3.792 5 40 CHBB CCC(C)(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 373113 UPVDAWJMTSOMFC-UHFFFAOYSA-N 270.716 3.623 5 40 CHBB COc1ccc(SC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1688792 CVRIRSVMGLITKE-UHFFFAOYSA-N 289.312 3.536 5 40 CHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl 4679152 XWRVTZUXHGFDMV-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Cc1noc(/C=C\c2c[nH]c3ccccc23)c1[N+](=O)[O-] 45823857 TYTUJIWHWSNPNS-SREVYHEPSA-N 269.260 3.543 5 40 CHBB Cc1oc2ccc(O)cc2c1C(=O)c1ccc([N+](=O)[O-])cc1 539347 LSJQEBFYNGYQLZ-UHFFFAOYSA-N 297.266 3.586 5 40 CHBB O=[N+]([O-])c1cccc(OCCCCOc2ccccc2)c1 1750365 XNRUXMFOPGIQGK-UHFFFAOYSA-N 287.315 3.833 5 40 CHBB O=[N+]([O-])c1ccc(N2CCCCCC2)c2ccncc12 12517047 RZXYYTLXRDWXLR-UHFFFAOYSA-N 271.320 3.523 5 40 CHBB O=[N+]([O-])c1ccc(F)c(F)c1OC(Cl)(Cl)Cl 95215429 PCMALVNRICWFNV-UHFFFAOYSA-N 292.452 3.580 5 40 CHBB CC1=C[P@](=O)(Oc2ccc([N+](=O)[O-])cc2)CCC1 1719973 YEOWTYHUBULQGE-GOSISDBHSA-N 267.221 3.949 5 40 CHBB CC(C)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 5712773 ITEAZUMFJAQMOO-UHFFFAOYSA-N 296.322 3.645 5 40 CHBB C[C@@H](c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 642882514 GBWGSCMZDTXIJU-NSHDSACASA-N 294.314 3.532 5 40 CHBB O=[N+]([O-])c1ccc2nc(NCCc3ccccc3)sc2c1 59461231 AWXRBXBMYLHMSG-UHFFFAOYSA-N 299.355 3.859 5 40 CHBB O=C(Nc1ccccc1[N+](=O)[O-])OC/C=C\c1ccccc1 5064213 OZCYFXADSJBCHE-TWGQIWQCSA-N 298.298 3.857 5 40 CHBB Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 230642 VPNQICVSXJMXGC-JXMROGBWSA-N 282.299 3.555 5 40 CHBB Cc1ccc(OCc2ccc(F)cc2Cl)c([N+](=O)[O-])n1 21624691 XSWMTLGPWGVSCC-UHFFFAOYSA-N 296.685 3.670 5 40 CHBB CCOC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 45920747 SVISWFBKFPNZFE-UHFFFAOYSA-N 295.678 3.685 5 40 CHBB O=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 4739242 ZZKKPJABHVMAOJ-UHFFFAOYSA-N 291.690 3.640 5 40 CHBB CCN(CC)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 45958928 YPBHENTUJRRQOM-UHFFFAOYSA-N 263.124 3.748 5 40 CHBB C[C@H](NCc1cccc(N(C)C)c1)c1ccc([N+](=O)[O-])cc1 95421840 YRQGGIGJYQGLEE-ZDUSSCGKSA-N 299.374 3.512 5 40 CHBB O=[N+]([O-])c1cccc(-c2nnc(/C=C/c3ccccc3)o2)c1 4499614 YHBQWXDMHVOGTI-MDZDMXLPSA-N 293.282 3.815 5 40 CHBB Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 92073 LTQFSBOXHAUJQK-UHFFFAOYSA-N 294.335 3.652 5 40 CHBB CCOC(=O)c1cc2ncccc2c2ccccc12 1611748 KKIFEZVSOLDWFH-UHFFFAOYSA-N 251.285 3.565 5 40 CHBB Nc1ccc(/C=C\c2ccnc3ccccc23)cc1[N+](=O)[O-] 19927770 ANSISMVFLOVFOH-ALCCZGGFSA-N 291.310 3.896 5 40 CHBB O=[N+]([O-])/C=C/c1cn(Cc2ccccc2)c2ccccc12 346415 RCSINHHQJFROGR-ZHACJKMWSA-N 278.311 3.937 5 40 CHBB Cc1ccc2c(c1)-c1cccc([N+](=O)[O-])c1C[C@H]2C#N 133204 LTHOJKQKLLBZSZ-NSHDSACASA-N 264.284 3.734 5 40 CHBB CC(C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 15208001 NHDDSCIESFAAHH-UHFFFAOYSA-N 298.342 3.894 5 40 CHBB CC[C@@H](NC1CCSCC1)c1cccc([N+](=O)[O-])c1 95968982 YMWGTMGCSKUBCT-CQSZACIVSA-N 280.393 3.531 5 40 CHBB Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 216925885 TYCMNWCPJRGYGE-UHFFFAOYSA-N 289.678 3.639 5 40 CHBB O=[N+]([O-])c1ccccc1Cn1ccc2ccccc21 7099472 FVCXYANUKVMMDT-UHFFFAOYSA-N 252.273 3.598 5 40 CHBB CC(C)Nc1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-] 20898130 GVHLDUFUYGDMHA-UHFFFAOYSA-N 290.323 3.589 5 40 CHBB O=C(O)c1cc([N+](=O)[O-])ccc1SC1CCCCC1 37486460 OXGCZWKCEIMROU-UHFFFAOYSA-N 281.333 3.718 5 40 CHBB O=[N+]([O-])c1cccnc1NCc1cccc(C(F)(F)F)c1 20404795 GUAJVBPDASCJSD-UHFFFAOYSA-N 297.236 3.621 5 40 CHBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 5540751 DSPUXAHWJXOFRP-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB CC[N+](C)(CC)C[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1670721 PYMAKVSXXYVLJK-UXHICEINSA-N 298.450 3.990 5 40 CHBB CCCCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2743271 GZPXDSBASHVJEZ-SNVBAGLBSA-N 298.770 3.947 5 40 CHBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCC1 6330199 VNVYRPNUNTUHAQ-UHFFFAOYSA-N 297.742 3.702 5 40 CHBB Clc1cccc2c1[nH]c1nc3ccccc3nc12 39256457 UVKKTLWNVHJOCZ-UHFFFAOYSA-N 253.692 3.918 5 40 CHBB O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(Cl)c1 95215681 QSOMZNLHNOMVGM-UHFFFAOYSA-N 290.917 3.955 5 40 CHBB O=C(O[C@H]1/C=C/CCCCC1)c1ccc([N+](=O)[O-])cc1 104104748 XDRNSOJKKJUDTM-YVZNUBBCSA-N 275.304 3.641 5 40 CHBB CCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)cc1 226291661 IDBHQORRFLQMGD-UHFFFAOYSA-N 285.299 3.533 5 40 CHBB Cc1noc(/C=C\c2c(C)n(C)c3ccccc23)c1[N+](=O)[O-] 408541808 FXIOACUJTYODLN-HJWRWDBZSA-N 297.314 3.862 5 40 CHBB O=C(O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 233185 YPYVWYFTYCWRKJ-UHFFFAOYSA-N 293.662 3.739 5 40 CHBB O=c1[nH]c2cc(Cl)ccc2c2c(Cl)cccc12 16951165 DMNMWWJCFOGBHX-UHFFFAOYSA-N 264.111 3.988 5 40 CHBB CC1=NCC[N+]1(CCc1ccccc1)Cc1ccccc1 31924808 DSCWRLBFIKKWFK-UHFFFAOYSA-N 279.407 3.678 5 40 CHBB in-vitro Cc1c(NC(=O)N[C@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] 43346269 BBRFVGMZJQFZBR-JQWIXIFHSA-N 291.351 3.603 5 40 CHBB Cc1ccc(C)c(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 226293279 WSEPVMSZUXQDNC-UHFFFAOYSA-N 269.300 3.751 5 40 CHBB Cc1ccccc1SC(=O)c1ccc([N+](=O)[O-])cc1 1688790 GSRNUQLPDGGUSP-UHFFFAOYSA-N 273.313 3.836 5 40 CHBB O=C1Nc2ccccc2S/C1=C\c1cccc([N+](=O)[O-])c1 2636212 RSAVQZPGRBILSN-ZROIWOOFSA-N 298.323 3.680 5 40 CHBB Cn1cc[n+](Cc2c3ccccc3cc3ccccc23)c1 149041561 HHEOGAHVSWNYPX-UHFFFAOYSA-N 273.359 3.667 5 40 CHBB O=[N+]([O-])c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 4688514 ZHVULQKVBIPDNV-UHFFFAOYSA-N 298.327 3.857 5 40 CHBB CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br 37131267 TXUYXYJTSZPMDZ-SSDOTTSWSA-N 273.130 3.568 5 40 CHBB C[N@+]12CCCC[C@@H]1[C@H](COC1CCCCC1)CCC2 247693308 XPFJVBYUWABAFF-CGTJXYLNSA-N 266.449 3.745 5 40 CHBB biogenic,in-vitro Cc1cc(C)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 8371132 KXXLEVDDKLXYHX-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1cccc(O)c1 90346 PHRNQCMOJDUOME-HNNXBMFYSA-N 296.326 3.591 5 40 CHBB Nc1ccc(C(Cl)=C(Cl)Cl)cc1[N+](=O)[O-] 5461106 KVMJXBITHVSDBJ-UHFFFAOYSA-N 267.499 3.520 5 40 CHBB O=[N+]([O-])c1ccc(Cl)cc1N1CCc2ccccc2C1 4133007 HNCGJKIZSBZISO-UHFFFAOYSA-N 288.734 3.811 5 40 CHBB Cc1cc(C=Cc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 2049239216 XQAJYTCITIRXRG-UHFFFAOYSA-N 284.271 3.982 5 40 CHBB Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1 3079293 JZLSBSRWVXNXBU-UHFFFAOYSA-N 264.668 3.623 5 40 CHBB O=C(O[C@H]1CCC[C@H]2CCC[C@H]12)c1ccc([N+](=O)[O-])cc1 4990567 XHIJFYCTVFKXLY-UGFHNGPFSA-N 289.331 3.720 5 40 CHBB CCCC[C@H](CC)C(=O)Nc1ccccc1[N+](=O)[O-] 5951733 DCKREJFMWYVHDU-NSHDSACASA-N 264.325 3.750 5 40 CHBB CC[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CC 13891542 BCEJQVARPFUUKC-BETUJISGSA-N 292.379 3.563 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C 40095738 QVUGAESWPVYOOJ-GWCFXTLKSA-N 291.351 3.603 5 40 CHBB CCOC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 44200653 GUMOEBJVLWTJSI-UHFFFAOYSA-N 295.678 3.685 5 40 CHBB O=C(O)c1cnc2c(ccc3ccccc32)c1Cl 5010779 NDMXXEOZWWSPGX-UHFFFAOYSA-N 257.676 3.740 5 40 CHBB Cc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3)oc2c1 199803430 XLBUDBIQFMULDC-UHFFFAOYSA-N 268.272 3.635 5 40 CHBB COc1ccc2c(c1)CC[C@@H](c1ccc([N+](=O)[O-])cc1)C2=O 169800203 VXDHRMCXMTZEMM-HNNXBMFYSA-N 297.310 3.516 5 40 CHBB CCc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)nc1 5422840 LCBCKDRODLIWJH-XBXARRHUSA-N 254.289 3.723 5 40 CHBB O=C(Nc1cccc(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] 6331366 AAPFJQWLTHPBOI-UHFFFAOYSA-N 294.669 3.640 5 40 CHBB O=[N+]([O-])c1ccc(Cl)cc1OC(Cl)(Cl)Cl 95215482 UUPYXJZJPPVYNI-UHFFFAOYSA-N 290.917 3.955 5 40 CHBB O=[N+]([O-])[C@@H]1[C@H](c2ccc(Cl)cc2Cl)[C@H]2C=C[C@H]1C2 104282202 DAIZNWRWPDYRFJ-XMUKKISLSA-N 284.142 3.928 5 40 CHBB O=[N+]([O-])c1ccccc1OCc1cccc(Cl)c1 255931169 WCDGQAWCTXHOFE-UHFFFAOYSA-N 263.680 3.827 5 40 CHBB O=C(OCc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 3291168 YPLLCZJERDSCRD-UHFFFAOYSA-N 291.690 3.605 5 40 CHBB CCOc1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 30822784 MMUYXXXUXMGKSA-UHFFFAOYSA-N 272.304 3.606 5 40 CHBB Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 18051115 SDPFCLFHQUIROK-UHFFFAOYSA-N 254.245 3.711 5 40 CHBB CCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 408541936 GPTUEHCLZFYTLC-RMKNXTFCSA-N 288.303 3.850 5 40 CHBB CC(=O)[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@H](C)[N+](=O)[O-] 4697330 JMJGTAJCIPQMSZ-MORSLUCNSA-N 297.354 3.808 5 40 CHBB Cc1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1 6966027 IHURQOXLNMZSRY-UHFFFAOYSA-N 260.318 3.591 5 40 CHBB CCOC(=O)c1cnc2ccc3ncccc3c2c1Cl 218259489 CBCBTQIOKMLJAC-UHFFFAOYSA-N 286.718 3.613 5 40 CHBB O=[N+]([O-])c1ccccc1Nc1cc(F)ccc1F 4933947 WUMGHQOJHLPRFN-UHFFFAOYSA-N 250.204 3.617 5 40 CHBB O=NNc1ccc2cc3ccc(NN=O)cc3nc2c1 6535087 QIDUMRSKEAAWQR-UHFFFAOYSA-N 267.248 3.575 5 40 CHBB C[C@@H]1CS[C@H](/C=C/c2ccccc2[N+](=O)[O-])S1 36019028 FSFJFWRVPPIIFR-VACNFSINSA-N 267.375 3.803 5 40 CHBB CCc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226291966 QJCMXSAEYSIZSL-MRXNPFEDSA-N 271.316 3.547 5 40 CHBB CCc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293134 JCICJUGBVBEFGA-INIZCTEOSA-N 271.316 3.547 5 40 CHBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 5546733 SZWIADUDMUMNIK-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1c(NC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] 2774479 MMUMNRYQKMJVPY-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB Cc1ccccc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 12137788 PMVGPQPKZQOGNK-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1c1cc([N+](=O)[O-])ccc12 95938290 QISHSLGQRNLFBK-QWHCGFSZSA-N 290.319 3.722 5 40 CHBB O=[N+]([O-])c1cc(F)ccc1Nc1ccc(F)cc1 4933949 HYADUIHNBXBZKJ-UHFFFAOYSA-N 250.204 3.617 5 40 CHBB CC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2C)c1 11691818 RGMPSZZQJSRPBP-UHFFFAOYSA-N 270.288 3.849 5 40 CHBB Nc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)c1ccccc1-2 22636365 ALUKCJUZYFFURJ-UHFFFAOYSA-N 290.278 3.542 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H](C)C1 43148789 HNUHBCFHESIMEW-PWSUYJOCSA-N 291.351 3.603 5 40 CHBB CCOC(=O)Nc1ccc2c(c1)oc(=O)c1ccccc12 1574376 XLZXWLVYAXPDRU-UHFFFAOYSA-N 283.283 3.515 5 40 CHBB C[C@@H]1CCC(C)(C)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 1633860 BOJBVZPXXKSIKK-MRVPVSSYSA-N 264.281 3.678 5 40 CHBB Cc1ccc(C)c([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)c1 226291891 RNYZIWHXSITUTE-INIZCTEOSA-N 271.316 3.602 5 40 CHBB COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)C2=O 169800205 VXDHRMCXMTZEMM-OAHLLOKOSA-N 297.310 3.516 5 40 CHBB Cc1ccccc1C(=O)Nc1c(C)cc([N+](=O)[O-])cc1C 45888456 ZVYXFUMUZHHOHK-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB COc1ccc([C@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1556158 GFAZKGFWSGMOHY-JKSUJKDBSA-N 269.300 3.875 5 40 CHBB COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 105867859 UWHQTSKFDYZTOS-UHFFFAOYSA-N 292.722 3.869 5 40 CHBB Cc1cc(OCc2nc3ccccc3o2)ccc1[N+](=O)[O-] 10320469 OUIVUNSHNMRFMU-UHFFFAOYSA-N 284.271 3.623 5 40 CHBB CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 18152967 ROXUWEABPPHFEO-CYBMUJFWSA-N 298.342 3.518 5 40 CHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccccc1 40095756 ZGUWXQUYHZSESJ-LBPRGKRZSA-N 299.330 3.786 5 40 CHBB Cc1ccccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 408968245 XOORAVWVEFPVBA-UHFFFAOYSA-N 296.282 3.902 5 40 CHBB c1ccc2c(c1)ccc1c[n+]3c4ccccc4ccc3n12 1723864 SIGTZBLXHMKSCC-UHFFFAOYSA-N 269.327 3.984 5 40 CHBB O=[N+]([O-])c1c(Oc2ccc(Cl)cc2)nc2sccn12 1395924 VWXBRQBVEYZNLA-UHFFFAOYSA-N 295.707 3.750 5 40 CHBB O=c1oc2ccccc2cc1-c1ccc(F)c([N+](=O)[O-])c1 216938115 SAWFQFYZJNBPPR-UHFFFAOYSA-N 285.230 3.507 5 40 CHBB CSc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 5222656 FJELLBIIMRIJQM-UHFFFAOYSA-N 288.328 3.569 5 40 CHBB CCc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 21813954 KTTKEUJRPBWASX-UHFFFAOYSA-N 286.287 3.599 5 40 CHBB O=[N+]([O-])c1ccc2nc(-c3cccc(F)c3)oc2c1 73640052 GTIXFSYFGRUHOF-UHFFFAOYSA-N 258.208 3.542 5 40 CHBB O=C(O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 3277499 MAUBNQUMSDCPPK-UHFFFAOYSA-N 293.275 3.583 5 40 CHBB CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 85679594 JHWZYBWDJWHVPE-HUUCEWRRSA-N 290.363 3.745 5 40 CHBB O=[N+]([O-])c1ccc2c(Br)cccc2c1 71256749 NODGOFXISHGVGQ-UHFFFAOYSA-N 252.067 3.511 5 40 CHBB CC[C@H](C)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CC 999383 VEYCDJFBEGIVRF-STQMWFEESA-N 292.379 3.942 5 40 CHBB Cc1cc(/C=C\c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 13403264 XQAJYTCITIRXRG-FPLPWBNLSA-N 284.271 3.982 5 40 CHBB O=[N+]([O-])c1ccc(N(CC2CCCCC2)C2CC2)nc1 40153873 PXWGVGIFBZPFKT-UHFFFAOYSA-N 275.352 3.539 5 40 CHBB O=C(c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 205401712 RONAJVQOZKEXMD-UHFFFAOYSA-N 277.279 3.979 5 40 CHBB O=[N+]([O-])c1ccc(C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 3175884 WWYWTCCQKVMPHP-UHFFFAOYSA-N 294.213 3.643 5 40 CHBB Nc1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 216926591 GESXQTWTTLIEKX-UHFFFAOYSA-N 289.678 3.639 5 40 CHBB O=[N+]([O-])c1cccc(CNCc2ccccc2Cl)c1 16449769 UJWIRUMFFBDHII-UHFFFAOYSA-N 276.723 3.538 5 40 CHBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Cl 336641 QKIPDAVLABJTPB-UHFFFAOYSA-N 285.690 3.858 5 40 CHBB C[C@@]12Cc3ccc4ccccc4c3C=C1C[N+](C)(C)C2 2294938 PFWGFPCEUUDSDE-IBGZPJMESA-N 264.392 3.876 5 40 CHBB Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 5364323 MHQGEVJSEJDOGK-UHFFFAOYSA-N 290.706 3.809 5 40 CHBB O=[N+]([O-])c1ccc(-c2cnc3ccccc3c2)cc1 1722736 PQVOYAUXECYSNO-UHFFFAOYSA-N 250.257 3.810 5 40 CHBB Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C 3281798 VMRFTOODHOTFTL-UXBLZVDNSA-N 297.310 3.830 5 40 CHBB CCOc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 59453085 XYXBHJWBOFJTFL-UHFFFAOYSA-N 284.271 3.802 5 40 CHBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3S2)c1 797355 QHPVFNQHUFOWSH-ZDUSSCGKSA-N 258.302 3.811 5 40 CHBB Cc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 505712 GMMFXEWAFZJHHM-UHFFFAOYSA-N 288.278 3.603 5 40 CHBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1OC(F)F 72209420 VWSJMZBIFPVBFW-UHFFFAOYSA-N 258.007 3.503 5 40 CHBB O=[N+]([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c1ccc(Cl)cc1Cl 104282217 DAIZNWRWPDYRFJ-BCWBERDBSA-N 284.142 3.928 5 40 CHBB C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cncc(F)c1 96491800 VXBAALAJIYDSEC-WDEREUQCSA-N 289.310 3.541 5 40 CHBB C[C@@H](S/C=C/c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C 252478334 AJMLNBLFHUCHRS-FCZSHJHJSA-N 299.348 3.622 5 40 CHBB CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 3151277 XUIGWJVLOLZCCO-KPKJPENVSA-N 296.326 3.809 5 40 CHBB COC(=O)c1cc2cc3c(cc2c2ccccc12)OCO3 1569663 ZKIIVJXMUUGCAL-UHFFFAOYSA-N 280.279 3.508 5 40 CHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1 10223262 RKDSIKHHVUMICU-GFCCVEGCSA-N 299.330 3.820 5 40 CHBB CC(=O)c1cc([N+](=O)[O-])ccc1-n1ccc2ccccc21 408581174 HCCVFZVKPFXKIV-UHFFFAOYSA-N 280.283 3.741 5 40 CHBB CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 321530 JGINIYLPTXBPIY-LLVKDONJSA-N 296.754 3.653 5 40 CHBB CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 35084499 XQPNJEGARGZUKQ-SNVBAGLBSA-N 259.309 3.599 5 40 CHBB O=C(CNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 287321 MPVBYBSYCUYIKN-UHFFFAOYSA-N 290.706 3.543 5 40 CHBB Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 485084 MZSXEXUCMMOBQM-UHFFFAOYSA-N 284.315 3.772 5 40 CHBB Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 13788556 YMOYAHSKGMVXJI-UHFFFAOYSA-N 287.344 3.712 5 40 CHBB O=[N+]([O-])c1ccccc1CN1CCCc2ccccc21 25405879 IJVVHWMZVAHYNO-UHFFFAOYSA-N 268.316 3.548 5 40 CHBB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(C)cc1 107638679 APZDUJJOLMRNBC-MDZDMXLPSA-N 299.326 3.830 5 40 CHBB CC(C)COc1ccc(OCC(C)C)c([N+](=O)[O-])c1 35324 BPYFIKWXTWLJIK-UHFFFAOYSA-N 267.325 3.664 5 40 CHBB O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2F)c(Cl)c1 38081080 YLWKVOBDZZSLKE-UHFFFAOYSA-N 297.669 3.672 5 40 CHBB O=[N+]([O-])c1ccccc1SN1CCc2ccccc2C1 3177539 MLLPHRJCMZYIMN-UHFFFAOYSA-N 286.356 3.660 5 40 CHBB CC[C@@H]1c2ccsc2CCN1c1ncccc1[N+](=O)[O-] 15140684 JLOGHZYLBIYCJQ-LLVKDONJSA-N 289.360 3.565 5 40 CHBB O=[N+]([O-])c1cc(Br)ccc1NC1CCCC1 19232938 MNNCNCDNYBRVBT-UHFFFAOYSA-N 285.141 3.712 5 40 CHBB COc1nc2nc(Cl)cc(C)c2c2ccccc12 1607979 WLLJSDPNDHXCLS-UHFFFAOYSA-N 258.708 3.753 5 40 CHBB O=c1c([N+](=O)[O-])cn2c3ccccc3sc3cccc1c32 3124729 GVLFTVQRAJOYBP-UHFFFAOYSA-N 296.307 3.576 5 40 CHBB O=[N+]([O-])c1ccc(NCc2ccccc2Cl)cc1 20559803 YZUNSKFVNRUQQN-UHFFFAOYSA-N 262.696 3.860 5 40 CHBB Cc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 5942741 YYIASWJTMPBVEQ-UHFFFAOYSA-N 281.271 3.620 5 40 CHBB Cc1cccc([N+](=O)[O-])c1NCCc1cccs1 95963724 GZNRQUBGAIXABS-UHFFFAOYSA-N 262.334 3.619 5 40 CHBB CC(=O)Nc1cc([N+](=O)[O-])c(C(C)C)cc1C(C)C 500986 PDBLLMDVWSTTCM-UHFFFAOYSA-N 264.325 3.800 5 40 CHBB CC(=O)[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] 4697331 JMJGTAJCIPQMSZ-FSPWUOQZSA-N 297.354 3.808 5 40 CHBB CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1C 5591679 WIKOLIOHCVVQBU-UHFFFAOYSA-N 284.315 3.570 5 40 CHBB O=[N+]([O-])c1ccc(-c2cn3ccc(Cl)cc3n2)cc1 1793803 BCGVAZPICOZQMG-UHFFFAOYSA-N 273.679 3.563 5 40 CHBB Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 20106981 UUZIHECTCMHSLU-CYBMUJFWSA-N 298.342 3.703 5 40 CHBB CC(C)C(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 113933100 CWGRITRATIHGIJ-UHFFFAOYSA-N 298.770 3.659 5 40 CHBB O=[N+]([O-])c1ccc(N[C@H](c2nccs2)C2CC2)cc1 95972054 CRCTYYYGIYHTFR-LBPRGKRZSA-N 275.333 3.615 5 40 CHBB O=[N+]([O-])c1cc(Br)ccc1SC(F)F 604221784 WDRFSOAEZSXWKJ-UHFFFAOYSA-N 284.081 3.672 5 40 CHBB O=[N+]([O-])c1cccc(-c2cn3c4c(sc3n2)CCCC4)c1 151876 WGVDGEFQXHWWBZ-UHFFFAOYSA-N 299.355 3.850 5 40 CHBB Cc1ccc(C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1903652 VXCIZXIYJBKEQV-CMDGGOBGSA-N 296.326 3.864 5 40 CHBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 12877058 JWQQPPOJZGQFRA-UHFFFAOYSA-N 290.344 3.834 5 40 CHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]2CC[C@@H]1C2 5093860 XHMOJOKMAVMPLK-NGZCFLSTSA-N 294.738 3.623 5 40 CHBB Cc1c(NC(=O)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 40099092 YPAUTRXCZWZIQN-LBPRGKRZSA-N 299.330 3.786 5 40 CHBB CCOC(=O)Nc1ccc2oc(=O)c3ccccc3c2c1 1574375 CDWOEUXGYDCCSE-UHFFFAOYSA-N 283.283 3.515 5 40 CHBB CC(=O)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 8079354 QWHJUIUGHNBFGK-UHFFFAOYSA-N 274.251 3.680 5 40 CHBB C[N@+]12CCCC[C@H]1[C@@H](COC1CCCCC1)CCC2 247693306 XPFJVBYUWABAFF-BPQIPLTHSA-N 266.449 3.745 5 40 CHBB biogenic,in-vitro