smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccsc1/C=C1/CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O 169942191 PHSULGVMJUEGDD-FLIBITNWSA-N 339.376 3.619 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 253388880 LXIJSXFQLNOAAO-RCSYLUDNSA-N 326.396 3.549 5 50 EHBA CCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] 471038 OVZPIVKWYQNUDJ-UHFFFAOYSA-N 344.411 3.548 5 50 EHBA C[C@@H](C(=O)Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 1108228 QBQBVHKIMGQJFM-SNVBAGLBSA-N 327.365 3.947 5 50 EHBA C[C@@H](NC(=O)N1CC=C(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 270408574 DIRFPWYDJITGBS-SNVBAGLBSA-N 343.305 3.560 5 50 EHBA O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)N1CCCCCC1 2762616 IJINABFBHKFXNV-UHFFFAOYSA-N 344.367 3.783 5 50 EHBA Cc1ccc(SCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 2985803 GGHOFJIMHMKOOT-IZZDOVSWSA-N 342.420 3.825 5 50 EHBA Cn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc2ccccc21 5095266 MUUMZRXVFYKALA-UHFFFAOYSA-N 339.380 3.650 5 50 EHBA O=C(CC(F)(F)F)Nc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 253397890 FXQCZBGRLKISIQ-UHFFFAOYSA-N 340.261 3.624 5 50 EHBA Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC(C)C 2706841 ZWAXOHXYYWHZKO-UHFFFAOYSA-N 333.391 3.998 5 50 EHBA Cc1cc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 373738 FUKITQHYJIPYBY-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 619247 MEAMYQDBNGUXAV-UHFFFAOYSA-N 337.335 3.624 5 50 EHBA O=C(OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 462039 AHKHWSYPMKYMGL-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccsc1 252452651 UGWVAISODHQJIW-WBMJQRKESA-N 345.424 3.820 5 50 EHBA CCOc1ccccc1-c1nnc(Sc2ncccc2[N+](=O)[O-])o1 8788327 MOKFKXNGOGVBRI-UHFFFAOYSA-N 344.352 3.590 5 50 EHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 432873 LHGYPJAQIIHRMA-UHFFFAOYSA-N 331.328 3.585 5 50 EHBA COc1cccc(C(=O)Nc2cc(-c3ccccc3)on2)c1[N+](=O)[O-] 193226640 LNWSAJYEYHZLIA-UHFFFAOYSA-N 339.307 3.511 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)cc1 317312 BNPJGGAKYBDADR-IZZDOVSWSA-N 337.379 3.847 5 50 EHBA O=C1S/C(=C/c2ccsc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 4549270 HYAGRUQQCBWRHQ-NTUHNPAUSA-N 346.389 3.893 5 50 EHBA O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccccc2c1 44153 HBWWYSCNISQOGN-UHFFFAOYSA-N 336.303 3.699 5 50 EHBA O=C(CNc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 446276 FOPQZEWJYSMJPL-UHFFFAOYSA-N 335.157 3.652 5 50 EHBA O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)c(Cl)c1 476004 SFQJLMUWCFXWSG-UHFFFAOYSA-N 339.178 3.761 5 50 EHBA COc1cc(C=O)c(Oc2cc(C)c([N+](=O)[O-])cc2OC)cc1OC 3125007 KUWMRKLHESUOLS-UHFFFAOYSA-N 347.323 3.534 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1[C@H]2CCCC[C@H]12 100289479 ZUYUSXFBIXWYCD-UWVGGRQHSA-N 339.189 3.732 5 50 EHBA CCOc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O 211412 BESUZBGLKOOKTO-UHFFFAOYSA-N 343.382 3.903 5 50 EHBA Cn1c(SCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 221594 FUZXUPYLGNXPKT-UHFFFAOYSA-N 326.381 3.683 5 50 EHBA Nc1ccc(OCc2csc(Cc3ccccc3)n2)cc1[N+](=O)[O-] 225823833 PTHZKGHQPHPDGO-UHFFFAOYSA-N 341.392 3.803 5 50 EHBA COC(=O)c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 78123 XFBNWPCKOXSHKN-UHFFFAOYSA-N 330.321 3.674 5 50 EHBA CCCc1ccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 3958844 KYBHXWGUXOBBSL-UHFFFAOYSA-N 328.368 3.873 5 50 EHBA CCOC(=O)c1ccnc(Oc2cnc3ccccc3c2)c1[N+](=O)[O-] 191860927 JOIVSSKBXRAENK-UHFFFAOYSA-N 339.307 3.507 5 50 EHBA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cn1 140438505 VENJSTPMPDHHKG-UHFFFAOYSA-N 339.348 3.666 5 50 EHBA CC(=O)c1ccc(N2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 408522234 FSQFETLHFSMINW-MRXNPFEDSA-N 325.368 3.576 5 50 EHBA O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 338478 FJOIIWGXGPMMGP-GOSISDBHSA-N 333.347 3.509 5 50 EHBA CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 2811392 SCINPMTXIBWHBU-UHFFFAOYSA-N 327.340 3.586 5 50 EHBA CCOc1ccc(NC(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 4159135 DXPCRZRAJAPIFI-UHFFFAOYSA-N 326.761 3.961 5 50 EHBA O=C(Nc1ccc2nc(S)sc2c1)c1cccc([N+](=O)[O-])c1 41129 GIZBWWLDVUPLKQ-UHFFFAOYSA-N 331.378 3.746 5 50 EHBA COc1ccc(C)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 619269 BQELRTALTFXTIP-UHFFFAOYSA-N 346.408 3.784 5 50 EHBA Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2ccco2)cc1F 408514911 VJVIGZYZEOCEMG-UHFFFAOYSA-N 341.298 3.828 5 50 EHBA CCCCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 2830867 XKHNPTXISKAIAF-UHFFFAOYSA-N 341.367 3.976 5 50 EHBA O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] 473586 RIWHOCWZCDKMML-UHFFFAOYSA-N 339.178 3.874 5 50 EHBA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O 35867454 GTIOUOABDNOUQH-GFCCVEGCSA-N 344.367 3.831 5 50 EHBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Br)o3)o2)c1 276092 WOSCARHRLYLDQF-UHFFFAOYSA-N 336.101 3.667 5 50 EHBA Cc1ccc(C(=O)Nc2nnc(CC3CCCC3)s2)cc1[N+](=O)[O-] 1005737 NGXLUAPCFGVKPB-UHFFFAOYSA-N 346.412 3.740 5 50 EHBA Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)c1ccccc1 1164162 NWLLGWYGRXTHHX-UHFFFAOYSA-N 336.351 3.650 5 50 EHBA Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc2ncoc2c1 242140822 WPMWJQWGEUKTSB-UHFFFAOYSA-N 331.715 3.950 5 50 EHBA CC(=O)Nc1cccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4771279 ROFOOWXFMVBHTJ-UHFFFAOYSA-N 349.730 3.818 5 50 EHBA CC1CCN(c2ccc(NC(=O)c3ccco3)cc2[N+](=O)[O-])CC1 4998309 PTCOAHZYZVCBII-UHFFFAOYSA-N 329.356 3.676 5 50 EHBA COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 253390420 HXWREKZJCQRPNT-JMQRRBCDSA-N 344.475 3.661 5 50 EHBA biogenic Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 102902 DTMRLETXBDQWJG-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=C(O[C@@H]1C[C@@]23CCCC[C@@]24C[C@H]1O[C@@H]4C3)c1ccc([N+](=O)[O-])cc1 247355329 XMYLNJHLYQFDBD-RTYCURFASA-N 343.379 3.632 5 50 EHBA O=[N+]([O-])c1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 3904846 SMDPWIHXDHLAHD-UHFFFAOYSA-N 340.408 3.605 5 50 EHBA CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1csc(-c2ccoc2)n1 170988996 STNITENRNSUASZ-UHFFFAOYSA-N 343.364 3.584 5 50 EHBA CN1C(=O)c2c(sc3c2CCCC3)N[C@@H]1c1ccc([N+](=O)[O-])cc1 1745238 GICPPULCPKRWOB-HNNXBMFYSA-N 343.408 3.731 5 50 EHBA C[C@@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 4117520 RLTJMSYXAHMHKI-OAHLLOKOSA-N 340.427 3.520 5 50 EHBA O=C(Nc1ncccc1-c1ccccc1)c1csc([N+](=O)[O-])c1 181409386 VAJBUXPFYKXGLV-UHFFFAOYSA-N 325.349 3.971 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)o1 311505 HVTZSEWHWAYAJY-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1 23634482 QFBFNZBDUOIJHK-NTEUORMPSA-N 342.332 3.541 5 50 EHBA Cc1cccc2c1CN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 430342816 KLQGKWNNJVUVMX-UHFFFAOYSA-N 335.363 3.583 5 50 EHBA O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2cccc(Cl)c2)cs1 1875391485 CIRZVHFHDDXURK-UHFFFAOYSA-N 347.783 3.582 5 50 EHBA CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C 162940898 HTESOCVXDRDWLQ-ZDUSSCGKSA-N 332.360 3.781 5 50 EHBA CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)C 278763135 RSFRPKFIGFXUKP-UHFFFAOYSA-N 335.223 3.678 5 50 EHBA COc1cccc(OC)c1Sc1ncc(Cl)cc1[N+](=O)[O-] 170606342 XYVGVOLFTVOBAZ-UHFFFAOYSA-N 326.761 3.812 5 50 EHBA COCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774802 RBYBEEPKZVHFPU-UHFFFAOYSA-N 338.367 3.653 5 50 EHBA COc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1[N+](=O)[O-] 4842979 ZNTCIVDKIQYCMN-UHFFFAOYSA-N 337.335 3.712 5 50 EHBA O=C(NCCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 375310 RWNJUTKSCKYFRT-UHFFFAOYSA-N 339.178 3.874 5 50 EHBA Cc1ccc(N(c2ncnc(N)c2[N+](=O)[O-])C2CCCCC2)cc1 3912613 PEFBDWNRLGOSPE-UHFFFAOYSA-N 327.388 3.746 5 50 EHBA O=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 454509 QUVOHVOTQSPITP-UHFFFAOYSA-N 336.141 3.749 5 50 EHBA CCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 572089 WKIBFQHDABDCLI-UHFFFAOYSA-N 347.754 3.850 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1Cl 15271349 QJBWEGDFAINZMO-RMKNXTFCSA-N 332.743 3.909 5 50 EHBA COc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 55053 ZFELDPJRRGWNGH-UHFFFAOYSA-N 329.355 3.513 5 50 EHBA CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])s2)s1 119855448 MBWQNOXVTINEIO-VIFPVBQESA-N 339.442 3.817 5 50 EHBA N=c1c2c(=O)oc3ccccc3c2ccn1Cc1cccc2[nH]ccc12 1776111318 OHMLQIILLYTNOA-UHFFFAOYSA-N 341.370 3.757 5 50 EHBA Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccc(C(=O)O)cc1 409419464 BACYQOWCVRPKAG-UHFFFAOYSA-N 343.386 3.710 5 50 EHBA CCSc1nnc(Sc2ncc(Cl)cc2[N+](=O)[O-])s1 153524326 WIRPCMODJIWETE-UHFFFAOYSA-N 334.835 3.758 5 50 EHBA Cc1nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2nc1C 4841954 QZXNCGLOTLKMJE-UHFFFAOYSA-N 337.335 3.512 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](C)c1ccc(C)cc1 5041619 DMHYEBHDTQSJIW-GFCCVEGCSA-N 345.424 3.959 5 50 EHBA C/C=C1\C[N@@+]2(CC)CC[C@@]34C(=Nc5c(O)cccc53)/C(=C/O)[C@H]1C[C@H]42 1772493089 ATENPHFDKOJCEO-NCRXFUPWSA-O 337.443 3.747 5 50 EHBA COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 1059095 ICVCIMNCRAZYPN-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 4575473 DIVKOVAAIKYBFJ-UHFFFAOYSA-N 340.379 3.825 5 50 EHBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)c1ccc(O)cc1 4840209 XBIWBJFGRQLWIF-UHFFFAOYSA-N 338.319 3.740 5 50 EHBA CCN1CCN(Cc2c(C)nc3c(ccc4ccccc43)c2O)CC1 19791670 ACWGVQMZJJZSNW-UHFFFAOYSA-N 335.451 3.540 5 50 EHBA Cc1cc(OCC(=O)Nc2nc3ccccc3s2)ccc1[N+](=O)[O-] 375417 KIECPOLHJNQABE-UHFFFAOYSA-N 343.364 3.530 5 50 EHBA Cc1ncc(-c2ccccc2)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] 374839213 MXVZDCDVQNUKJP-UHFFFAOYSA-N 348.362 3.800 5 50 EHBA COc1ccc(NC(=S)Nc2cc(C)ccc2OC)c([N+](=O)[O-])c1 4999029 YANSUBQZKAGDEZ-UHFFFAOYSA-N 347.396 3.729 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 225623564 WKRLEAKFFVODKZ-UHFFFAOYSA-N 347.802 3.871 5 50 EHBA O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 16671448 SITPWTZVYMURTP-GXDHUFHOSA-N 326.333 3.836 5 50 EHBA Cc1ccc2[nH]c(C)c(CCNC(=O)c3cccc([N+](=O)[O-])c3)c2c1 94408 OSOBBRZDJXXSCL-UHFFFAOYSA-N 337.379 3.665 5 50 EHBA biogenic,in-vitro Cn1ncnc1CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 151996519 FQICJLKTVHHSRX-UHFFFAOYSA-N 347.425 3.548 5 50 EHBA Cc1c(NC(=O)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] 456004 BPNJHWSLUIBSRE-UHFFFAOYSA-N 349.184 3.847 5 50 EHBA CCOC(=O)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 471568 INOUYDZZCTUCTG-GFCCVEGCSA-N 342.351 3.514 5 50 EHBA COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 4838973 HCCRQTCYLOBHTC-UHFFFAOYSA-N 340.257 3.875 5 50 EHBA CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 5007512 YLYUSLAOAHQOAZ-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccccc1[N+](=O)[O-] 269551 DEPWQIKXPWIFQD-AWEZNQCLSA-N 331.368 3.739 5 50 EHBA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 474363 JNTPKHQHNGEHCD-SECBINFHSA-N 338.722 3.793 5 50 EHBA C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 610766 NKYBUQQPAOIBNA-ZDUSSCGKSA-N 329.425 3.903 5 50 EHBA Cc1ccc(SCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2985040 TWHPASCGMOSXSJ-JXMROGBWSA-N 342.420 3.825 5 50 EHBA COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 103059 AQSXRQCMOUGMTK-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA Cc1cc(=O)oc2cc(OCCc3ccccc3)c([N+](=O)[O-])cc12 937211 HUDAXSMAUADIAV-UHFFFAOYSA-N 325.320 3.631 5 50 EHBA C[C@@H](c1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 266583586 IUSISFLAKBWPTO-AWEZNQCLSA-N 327.384 3.594 5 50 EHBA O=[N+]([O-])c1ccc(Oc2nccc(C(F)(F)F)n2)c2cccnc12 184801989 XXKUGDTYYYMBDD-UHFFFAOYSA-N 336.229 3.744 5 50 EHBA COc1ccc(OC)c(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2170545 DBHLWRZVIMDRRO-ONEGZZNKSA-N 330.296 3.691 5 50 EHBA O=[N+]([O-])c1c(Nc2ccc(Br)cc2)ccc2nonc12 3879038 XQWSKQVIPXYGNY-UHFFFAOYSA-N 335.117 3.637 5 50 EHBA O=[N+]([O-])c1ccc(-c2ccc(I)cc2)cc1 61488 YEDVRRNLTGKJSW-UHFFFAOYSA-N 325.105 3.866 5 50 EHBA biogenic,in-vitro O=c1cc(-c2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 16399732 GGKRNYBSTXRTTB-UHFFFAOYSA-N 339.376 3.637 5 50 EHBA Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 38499 GWWHSLCVPYBDPI-UHFFFAOYSA-N 336.141 3.885 5 50 EHBA in-vivo O=C(Nc1nnc(CC2=CCCCC2)s1)c1cccc([N+](=O)[O-])c1 618258 ZJGLMHMRGXFMIE-UHFFFAOYSA-N 344.396 3.742 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 95802942 YNMNCFUFQJZIFY-UHFFFAOYSA-N 336.388 3.682 5 50 EHBA COc1cc(CNC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])cc1OC 182869 IGAPHNZQVKZOAC-UHFFFAOYSA-N 346.427 3.526 5 50 EHBA C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1C2CC3CC(C2)CC1C3 380204 BYWOSWHVXMNXHX-CJQSEUFMSA-N 328.412 3.785 5 50 EHBA CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 1137704 CYJTUBCWGIBXKA-UHFFFAOYSA-N 340.792 3.551 5 50 EHBA COc1cc(OC)c(OC)cc1CNc1ccc([N+](=O)[O-])cc1C 4685497 RBQRLMRRFAOAFQ-UHFFFAOYSA-N 332.356 3.541 5 50 EHBA CCCC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 444694 DSYFZQDZZHVZFG-UHFFFAOYSA-N 327.340 3.586 5 50 EHBA O=C(NCCC1=CCCC1)c1cccc([N+](=O)[O-])c1Br 184890398 JVVAUOJWXBRFTB-UHFFFAOYSA-N 339.189 3.588 5 50 EHBA CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 444638 JDAOXOIWVXIFLR-UHFFFAOYSA-N 347.758 3.849 5 50 EHBA CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3133380 QMDPHGXZHJADIA-UHFFFAOYSA-N 337.253 3.537 5 50 EHBA C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1-n1cccn1 328586362 BAJHFWNJMOCHAM-ZDUSSCGKSA-N 340.358 3.770 5 50 EHBA Cc1ccc([S@@](C)(=O)=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4557369 JGDBHKWXBSELDS-HSZRJFAPSA-N 335.341 3.600 5 50 EHBA Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] 124005226 PLVNBNYZYWNCQI-UHFFFAOYSA-N 325.368 3.864 5 50 EHBA COc1ccc(OC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 102783 IQCBPCOUKFVDSJ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA CC(C)(C)N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 302778 VLWOUTGRUVWSAP-UHFFFAOYSA-N 340.335 3.782 5 50 EHBA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 370174 DMINQGAQLZMKFW-UHFFFAOYSA-N 326.230 3.746 5 50 EHBA O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] 443282 RXFCNMGOYJYZRF-LCYFTJDESA-N 328.711 3.593 5 50 EHBA O=[N+]([O-])c1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 17068117 VVYWYAQWELULRA-UHFFFAOYSA-N 331.441 3.850 5 50 EHBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)c([N+](=O)[O-])c1 453146 BGJQUBRNWLDTFK-UHFFFAOYSA-N 334.803 3.803 5 50 EHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)OCCOc1ccccc1 1741917 GRNWEYPXIQNUFL-UHFFFAOYSA-N 336.731 3.876 5 50 EHBA CCOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC 5041842 VETOBSXSBTXVPQ-UHFFFAOYSA-N 331.328 3.646 5 50 EHBA Cc1ccc2nsnc2c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 97747 HGNRCRSKPDEIIY-UHFFFAOYSA-N 348.771 3.814 5 50 EHBA CCCC(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 614159 FBEBWDBLAHNCQQ-UHFFFAOYSA-N 342.351 3.595 5 50 EHBA O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nc1 170024446 NHRNDQYJRLZPOX-SJLPKXTDSA-N 341.411 3.863 5 50 EHBA CSc1cccc(NC(=O)OCCOc2ccc([N+](=O)[O-])cc2)c1 1753758 GLUVWOOGGBBUBB-UHFFFAOYSA-N 348.380 3.944 5 50 EHBA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 38887 YWDWGAGLDDBIIQ-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Cc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)o1 180297839 BNIKWEFXKIDZIB-UHFFFAOYSA-N 343.364 3.896 5 50 EHBA CC(=O)c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 473096 LPXXBNFKZRCZTB-UHFFFAOYSA-N 344.392 3.669 5 50 EHBA CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1021596 DCLJDJXXIUQHAX-CYBMUJFWSA-N 348.424 3.758 5 50 EHBA O=[N+]([O-])c1ccc(S[C@H]2N=C3CC=CC=C3S2)c([N+](=O)[O-])c1 5944057 BOILWQIMDNSCPI-ZDUSSCGKSA-N 335.366 3.910 5 50 EHBA COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1 466791 IGSSFVMGIMSMMD-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA CCc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 104230463 KIWKPYOCJVLFBE-UHFFFAOYSA-N 332.272 3.717 5 50 EHBA CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 102093 LMMQCPDIOMQXNL-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA O=[N+]([O-])c1ccc(-c2ccccc2)cc1I 98181481 MGMDLJUMWXFQFI-UHFFFAOYSA-N 325.105 3.866 5 50 EHBA Cc1c(C(=O)NC2CCCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3106266 VQDXBGSEEBAXJF-UHFFFAOYSA-N 335.360 3.654 5 50 EHBA CC[C@@H](Nc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 267239940 GZFFMMIQXKDWOI-LLVKDONJSA-N 326.278 3.967 5 50 EHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1ccc(O)cc1 4983955 RDUJMZVMKSHDJO-UHFFFAOYSA-N 326.274 3.974 5 50 EHBA COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 562760 MDLHXDJFBNRUMM-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1[N+](=O)[O-] 2765534 RCWKHGKMFRCHKH-UHFFFAOYSA-N 332.184 3.543 5 50 EHBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1C 32672 HXAJGWNDTYHFOO-UHFFFAOYSA-N 348.380 3.702 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 463001 OJBMBKSKNVRLHO-CQSZACIVSA-N 328.368 3.926 5 50 EHBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 613662 DLNYIJMWCBFBDS-QGZVFWFLSA-N 341.342 3.822 5 50 EHBA O=C(OCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 2881010 UYRWIMBUJDXIRQ-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3ccc4c(c3)OCO4)oc2c1 3618548 QPBWGKDYHNSQRN-UHFFFAOYSA-N 328.236 3.645 5 50 EHBA CC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1 2881011 INMHQGSHONASGU-UHFFFAOYSA-N 348.742 3.564 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 584904386 WMHFDTREBMQOCE-VQTJNVASSA-N 343.471 3.824 5 50 EHBA O=[N+]([O-])c1cccc(Oc2nc(-c3ccccn3)nc3c2CCC3)c1 301319505 QYIHTRJZWJXMBX-UHFFFAOYSA-N 334.335 3.728 5 50 EHBA COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 432252 HRMKNWQZQPNTBX-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA COc1ccc2c(c1)c1ccnc3c4ccc(F)c(F)c4c(=O)n2c13 1875387959 HBSUTGYNTBEXHZ-UHFFFAOYSA-N 336.297 3.879 5 50 EHBA CCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21 2250061 MWLAQVDUYIUGKE-UHFFFAOYSA-N 349.438 3.751 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 286381750 SPIUHCDDVAFPPP-INIZCTEOSA-N 342.399 3.973 5 50 EHBA COc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 138763 ZIKQHGFYRPNJBE-UHFFFAOYSA-N 348.314 3.557 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cn1)C1c2ccccc2Oc2ccccc21 3906503 NGPPHLCMZDQDTG-UHFFFAOYSA-N 347.330 3.866 5 50 EHBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 4873287 QZODUIYFMRQTJE-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA O=C1c2ccccc2C(=O)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 4774889 ZKPOYWRQKVLTOF-UHFFFAOYSA-N 337.118 3.702 5 50 EHBA Cc1ccc(O[C@@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 175267542 OEENTNZZRJPVMG-LBPRGKRZSA-N 348.786 3.754 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 239425942 VMVFYBOTXPMUBU-PMACEKPBSA-N 343.471 3.824 5 50 EHBA COc1cc(SC)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 337769 GOPQYQAUGLRMTQ-UHFFFAOYSA-N 332.381 3.886 5 50 EHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncc[nH]1 175298752 PIOCMFXHHZRSFT-LBPRGKRZSA-N 349.778 3.730 5 50 EHBA O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 112746 IPWNTRGGAUHISI-UHFFFAOYSA-N 336.101 3.667 5 50 EHBA COc1cccc(OC)c1OCCCOc1ccc(C)cc1[N+](=O)[O-] 2984197 SVZLQGAOTLEZNR-UHFFFAOYSA-N 347.367 3.768 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 115725 AIFQTWHJNJEWEI-UHFFFAOYSA-N 340.257 3.631 5 50 EHBA CCCCOc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1777461 CQJGBEMXSGVFDA-UHFFFAOYSA-N 344.367 3.791 5 50 EHBA C[C@]1(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1(Cl)Cl 4748839 XKNLLXZPKYPHDF-LLVKDONJSA-N 346.195 3.727 5 50 EHBA COc1ccc(OC)c(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 1753780 LAAPAEMUJINBQQ-UHFFFAOYSA-N 331.328 3.564 5 50 EHBA CCCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 2744979 WFZWAEPPQBADGM-UHFFFAOYSA-N 342.351 3.722 5 50 EHBA CCOC(=O)/C=C/c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 3116961 LSKSOIAWGHQJDW-GFULKKFKSA-N 328.324 3.638 5 50 EHBA O=Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(Br)c1 615719 AFCAPVJIRBEZJK-UHFFFAOYSA-N 336.141 3.749 5 50 EHBA Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 16293063 KJOZEDIQKQGWSH-UHFFFAOYSA-N 342.380 3.510 5 50 EHBA Cc1[nH]c2c(ccc3ccccc32)c(=O)c1CN1C[C@H](C)O[C@@H](C)C1 19791664 GIOVYRFIFRUGOD-KBPBESRZSA-N 336.435 3.599 5 50 EHBA C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 2995119 SCFGWOMGTWPYMT-JTQLQIEISA-N 349.184 3.848 5 50 EHBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C)c1C 89017 QHIUERJMXWOWCG-UHFFFAOYSA-N 348.380 3.620 5 50 EHBA COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 4902806 RGOKDINPMVWIAM-VMPITWQZSA-N 332.743 3.909 5 50 EHBA CCN(C(=O)c1c(Cl)nc(C)c([N+](=O)[O-])c1C)c1ccccc1 4754019 NCXVSWMNTKOTEF-UHFFFAOYSA-N 333.775 3.927 5 50 EHBA Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 38498 URWAKAJZGTXOLP-UHFFFAOYSA-N 336.141 3.885 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl 447713 GDIPFKPDNXWPQO-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA CCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 444335 LDKBWUWRPONVCP-UHFFFAOYSA-N 341.367 3.894 5 50 EHBA Cc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 5601123 DYCPBRSBQCOSMH-UHFFFAOYSA-N 326.381 3.981 5 50 EHBA COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)cc([N+](=O)[O-])c1 176821 GBJPWDUBXWLDJS-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 4804370 FDOZRIJNVPPKQY-GFCCVEGCSA-N 328.343 3.644 5 50 EHBA CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Cl)cn1 172410568 FTYVIKDKFMIQLO-UHFFFAOYSA-N 340.166 3.569 5 50 EHBA Cc1ccnc(Sc2nnc3sc4ccccc4n23)c1[N+](=O)[O-] 170627314 VTBJPQGHESFYLQ-UHFFFAOYSA-N 343.393 3.707 5 50 EHBA CCCCOC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C 2290572 PPXNPHDAZKSRDC-UHFFFAOYSA-N 340.375 3.977 5 50 EHBA CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1[C@H](C(=O)O)Cc3cc([N+](=O)[O-])ccc3N21 227044403 OWUSYBWTCKRERJ-ZDXGLAPJSA-N 344.411 3.625 5 50 EHBA CS[C@@H]1CCCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 156029543 XUMFBJQOYPYCSF-CYBMUJFWSA-N 337.445 3.961 5 50 EHBA Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br 2903369 WVBIYFGWADZVQP-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] 461200 FYZJPSFLXSYMMZ-UHFFFAOYSA-N 326.352 3.735 5 50 EHBA CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1 3898516 UARJWHWUHWWMGH-IZZDOVSWSA-N 342.351 3.654 5 50 EHBA aggregator CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 4892268 FKEFOSJSXZLUEC-GJZGRUSLSA-N 326.352 3.736 5 50 EHBA O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc(F)c1 176291 CDJFJQBEPIFAOQ-QPEQYQDCSA-N 346.701 3.732 5 50 EHBA CC1=C(c2cccs2)[N+](=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)N1O 136181661 LOIFVUSAPNVCPD-HNNXBMFYSA-N 332.361 3.701 5 50 EHBA COC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1 184131 JHAFTKCDDPTPIF-UHFFFAOYSA-N 342.351 3.559 5 50 EHBA Cc1ccc(C(=O)NCCSCc2ccccc2)cc1[N+](=O)[O-] 2983952 YKMVAGDTRRIWPF-UHFFFAOYSA-N 330.409 3.566 5 50 EHBA Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 4846679 DYJRQCCTCOEEBU-NSHDSACASA-N 334.759 3.963 5 50 EHBA Cc1ccc(NC(=O)c2ccc(Br)s2)c([N+](=O)[O-])c1 5793834 HXWFPJQGDHOSAY-UHFFFAOYSA-N 341.186 3.980 5 50 EHBA O=C(O[C@@H]1C[C@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@]13C2)c1ccc([N+](=O)[O-])cc1 257355412 AOTZIXMSCGHECF-XKLWKGSHSA-N 327.380 3.966 5 50 EHBA CCSc1ccccc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 5041595 TXXPLMJRBMTDQW-UHFFFAOYSA-N 332.381 3.968 5 50 EHBA CCOC(=O)c1cc(/C=C\c2ccccc2[N+](=O)[O-])ncc1CC 4532366 HJMMSSLRTXXCEU-KTKRTIGZSA-N 326.352 3.899 5 50 EHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 449834 PQKIMVCBRAJXGP-UHFFFAOYSA-N 328.349 3.549 5 50 EHBA O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1 4793615 DUZQLPOBIFJRHM-ZSOIEALJSA-N 328.711 3.593 5 50 EHBA Cc1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 239619515 BFFMTHRPSUOETO-UHFFFAOYSA-N 349.184 3.847 5 50 EHBA CCN(CC)c1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] 4977985 NMVHIDYYMMXELZ-UHFFFAOYSA-N 343.383 3.702 5 50 EHBA COc1cc(CN2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC 5577878 TVLFCBDSKNDCPN-UKRRQHHQSA-N 334.416 3.767 5 50 EHBA CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 230221917 BJXVEENVLOXDSH-ZWKOPEQDSA-N 330.306 3.839 5 50 EHBA Cc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 4868005 GWJYUMJMAWKEHS-UHFFFAOYSA-N 342.323 3.643 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 584904385 WMHFDTREBMQOCE-PMACEKPBSA-N 343.471 3.824 5 50 EHBA Cc1cc(Nc2cc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1 725381992 CEUMAXLRGBKFQP-UHFFFAOYSA-N 346.734 3.606 5 50 EHBA in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(C)ccc(C)c1C 144592 SHUYEGRGLJDKHO-UHFFFAOYSA-N 328.368 3.846 5 50 EHBA O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 341894 ZVLJOTMRVCAENI-UHFFFAOYSA-N 333.347 3.833 5 50 EHBA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 4687327 AWMHIGDXXMXUIW-UHFFFAOYSA-N 343.408 3.845 5 50 EHBA CCOC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 103067 HZQDWYMXWXCUDT-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA CCc1cccc(CC)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 145177 YZQDHCLHJACKFE-UHFFFAOYSA-N 328.368 3.737 5 50 EHBA O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccccc1[N+](=O)[O-] 13325232 MMPFIUWGLAHCTN-UHFFFAOYSA-N 340.383 3.835 5 50 EHBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2ccccc2c(=O)o1 253426975 JYVZHLANJKVTRL-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(SC)cc1 1741759 JJUMGHFDGJIMMZ-UHFFFAOYSA-N 333.369 3.969 5 50 EHBA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4699019 QJCAYRHMWGAJDX-CQSZACIVSA-N 346.412 3.511 5 50 EHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccn1 272677 KGWXAVQFYYHOAR-UHFFFAOYSA-N 333.347 3.837 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 351161 XSGLKSWEYRBHSW-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA Cc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] 466359 GBPUBVJHAUVMRY-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 4755822 VTPRLRPNQWVSDN-UHFFFAOYSA-N 340.379 3.590 5 50 EHBA COC(=O)c1cccc(Cn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c1 4820837 ABMSUWFCGYENBK-KTKRTIGZSA-N 336.347 3.724 5 50 EHBA O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12 4625131 BNOHVHKWQPRHJJ-UHFFFAOYSA-N 334.694 3.516 5 50 EHBA CCc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 859376 IDDLZWDDZSGSLO-UHFFFAOYSA-N 338.319 3.516 5 50 EHBA CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102795 JRDAITKKMABVFQ-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 204020836 OROVBRPMDNPTOE-UHFFFAOYSA-N 335.404 3.715 5 50 EHBA O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 127576 DRYWONDMFJQRKD-UHFFFAOYSA-N 339.376 3.894 5 50 EHBA CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc([N+](=O)[O-])cc1 241326120 LZKINTFSGKJVGQ-INIZCTEOSA-N 340.379 3.765 5 50 EHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Br 437414 ZIVFSBOQLVRVRI-UHFFFAOYSA-N 339.120 3.749 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 5090855 YPEBUBJFZRKRPU-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA COc1ccc(NC(=O)CSc2ccc(C)cc2)c([N+](=O)[O-])c1 4114060 GPRZCAKENTWQCT-UHFFFAOYSA-N 332.381 3.643 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1Cl 555159 AXGVWUBSBBWQLM-UHFFFAOYSA-N 339.178 3.761 5 50 EHBA COc1ccc(Cl)cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 617803 ZGLYDBKPPWBNDX-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1 239425943 VMVFYBOTXPMUBU-VQTJNVASSA-N 343.471 3.824 5 50 EHBA Cc1csc([C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)n1 170077004 NDEONISEEXHUNL-HNNXBMFYSA-N 344.396 3.742 5 50 EHBA Cc1ccc(NC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1 3897765 OXXSUHLVQJJKJU-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](SC)c1ccccc1 172361014 UCEUUUZKYMCUAE-OAHLLOKOSA-N 332.381 3.646 5 50 EHBA Cc1ccc(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 464713 BZEOYWZMYXZUNW-UHFFFAOYSA-N 327.365 3.694 5 50 EHBA O=C(Oc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1070946 DUGHWOWHPWFJJD-UHFFFAOYSA-N 345.694 3.574 5 50 EHBA CC1(C)C(=O)O[C@@H](c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O 1152601 IFLNELYLLBRQLV-AWEZNQCLSA-N 331.368 3.739 5 50 EHBA O=[N+]([O-])c1ccc(OCCCCN2CCc3ccccc3C2)cc1 2844573 XEDVBYLUISOGOO-UHFFFAOYSA-N 326.396 3.812 5 50 EHBA CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4799912 ZXFFPNCSDXBXRJ-UHFFFAOYSA-N 342.355 3.530 5 50 EHBA CC(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1 4858405 ACVNEGDVQZXXKQ-UHFFFAOYSA-N 348.742 3.564 5 50 EHBA Cc1nc(-c2ccccc2)ncc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 120285789 KDDXQIRPSFKLGS-UHFFFAOYSA-N 348.362 3.637 5 50 EHBA CC(C)(C)Cc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 475172 HJJPEVWFVKLZPS-BQYQJAHWSA-N 346.412 3.687 5 50 EHBA O=C(Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1 613341 RJFXEJXAJQTQDL-UHFFFAOYSA-N 339.376 3.900 5 50 EHBA aggregator CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4980374 ZUBNSPMZHCTKOJ-UHFFFAOYSA-N 348.424 3.829 5 50 EHBA CC(=O)Oc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 4832427 SGSIXEHNACGOFK-UHFFFAOYSA-N 349.726 3.531 5 50 EHBA O=[N+]([O-])c1ccc(Oc2ccc(I)cc2)cc1 39203124 HVIBZWDKOFXLDD-UHFFFAOYSA-N 341.104 3.992 5 50 EHBA CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4699691 MDOPENKTWVKYNO-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA CS[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 172369874 XRLONPXWDGKNAC-AWEZNQCLSA-N 338.335 3.916 5 50 EHBA O=C(c1ccc(Oc2c(F)cc([N+](=O)[O-])cc2F)cc1)N1CCCC1 301797294 QVQRTTUEBDEJEN-UHFFFAOYSA-N 348.305 3.901 5 50 EHBA Cc1cc(F)cc2c1CN(c1noc3ccc([N+](=O)[O-])cc13)CC2 2325827414 FQCWNRYFUBRMOY-UHFFFAOYSA-N 327.315 3.746 5 50 EHBA COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)cc([N+](=O)[O-])c1 60817 NWWGMMIAMJQNSN-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 351172 KLMGNHPSJSGOTN-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA O=Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 308377 GVDIUWOAAWUOKI-UHFFFAOYSA-N 340.118 3.933 5 50 EHBA NC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1178476 JDOMUYVGYVAWRH-UHFFFAOYSA-N 326.230 3.505 5 50 EHBA O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2)o1 610950 FVOLUJIFPZBNPH-UHFFFAOYSA-N 327.321 3.609 5 50 EHBA Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c(C)cc(=O)oc2c1 616757 VTKYSQSFXCHAAJ-UHFFFAOYSA-N 325.320 3.897 5 50 EHBA CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(C)cs1 158297354 NMKWGVHLQSVWKR-UHFFFAOYSA-N 325.777 3.680 5 50 EHBA Cc1cccc(CSCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2990822 KYFQCHQMKDZILJ-UHFFFAOYSA-N 344.436 3.875 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)ccc(C)c1C 4043000 BSUVPRRYHWRSMG-UHFFFAOYSA-N 344.367 3.546 5 50 EHBA Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 454281 YDJQUUBXZFZSKT-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 858561 YUBCYNQDQBBBMA-YCRREMRBSA-N 332.743 3.909 5 50 EHBA Cc1c(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cccc1[N+](=O)[O-] 2780048 KLZMSRMMMLQZAX-UHFFFAOYSA-N 346.211 3.851 5 50 EHBA O=[N+]([O-])c1ccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)cc1 4742547 USPDUKHODVMMKQ-DHZHZOJOSA-N 349.375 3.931 5 50 EHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncc[nH]1 175298730 PIOCMFXHHZRSFT-GFCCVEGCSA-N 349.778 3.730 5 50 EHBA CN(C(=O)c1scnc1C1CCCC1)c1ccc([N+](=O)[O-])cc1 183884493 WUNRCFBAIICSDL-UHFFFAOYSA-N 331.397 3.986 5 50 EHBA C[C@@H]1CCc2nc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)sc2C1 4999037 VYDDAAAQXWIMED-SECBINFHSA-N 348.453 3.985 5 50 EHBA CC1(C)C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O 2601171 QFIKZFLDORQCPL-CQSZACIVSA-N 331.368 3.739 5 50 EHBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc(Cl)cc2)c1 2980004 XNDJQDBLONFVIS-UHFFFAOYSA-N 348.163 3.669 5 50 EHBA COc1ccc(COC(=O)c2cc3sccc3n2C)cc1[N+](=O)[O-] 2325862847 KYRKIIVADRWMGC-UHFFFAOYSA-N 346.364 3.514 5 50 EHBA COc1ccc(NC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1 2845072 ZQGYWUXZQCEYEW-UHFFFAOYSA-N 332.381 3.724 5 50 EHBA CCc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 87981 UHRMLERNVIFXNA-UHFFFAOYSA-N 325.324 3.786 5 50 EHBA O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 318912 HHNJIJRSCSHDNA-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)CC1 255188907 MKXQVIXAZHCMFB-SHTZXODSSA-N 349.431 3.520 5 50 EHBA C/C(=C\c1ccccc1)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12342828 FUTKCIHHGAEIBO-BMRADRMJSA-N 337.423 3.820 5 50 EHBA C[C@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 376256 SLKLBZVQHBHSME-GFCCVEGCSA-N 332.787 3.999 5 50 EHBA O=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1-c1ccccc1 4311646 FNRJSENHNOAUHO-UHFFFAOYSA-N 349.390 3.889 5 50 EHBA aggregator C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4718956 UGWBTBHUVDJFGY-UHSVVUDUSA-N 328.412 3.930 5 50 EHBA O=C(CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 4838007 CSAZHDHVWMTJDR-UHFFFAOYSA-N 343.817 3.826 5 50 EHBA CCOC(=O)c1c[nH]c2c(OC)cc3c4ccccc4oc3c2c1=O 15219079 UMMLPYNWYVUAMA-UHFFFAOYSA-N 337.331 3.613 5 50 EHBA biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](SC)c1ccccc1 172361019 UCEUUUZKYMCUAE-HNNXBMFYSA-N 332.381 3.646 5 50 EHBA CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 471868 PPOVWQJRTCFXEI-UHFFFAOYSA-N 342.351 3.546 5 50 EHBA CNc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] 4756108 ZAWSEKSBONWNCF-UHFFFAOYSA-N 334.401 3.643 5 50 EHBA Cc1cccc(C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-] 463070 VOCYXSIYGHIKGY-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2ccccc2c1 354971 MKFQDZHISZFNMT-UHFFFAOYSA-N 328.349 3.549 5 50 EHBA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1 4706244 LHHOGBQFTAQVCK-UHFFFAOYSA-N 334.397 3.693 5 50 EHBA CC(C)c1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1021597 DCLJDJXXIUQHAX-ZDUSSCGKSA-N 348.424 3.758 5 50 EHBA Cc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] 267749078 XNAWYVUKWYEYIC-VIFPVBQESA-N 326.278 3.885 5 50 EHBA Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 5065638 OZQNHXJVQAARHT-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2ccc(Cl)cc2)CC1 253432495 KTWZMCGIASHKSB-UHFFFAOYSA-N 332.743 3.771 5 50 EHBA O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 12354940 KAJXOWFGKYKMMZ-UHFFFAOYSA-N 325.327 3.839 5 50 EHBA aggregator,biogenic,in-vitro Cc1cc(C)cc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1770379 UTEYFXZASKEWMQ-UHFFFAOYSA-N 348.786 3.674 5 50 EHBA COc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nc2S)cc1 2543576 NXPXVUQAIWHHGN-UHFFFAOYSA-N 327.365 3.745 5 50 EHBA O=[N+]([O-])c1ccccc1N1CCC(c2ncc3n2CCCC3)CC1 432924946 PHJCTGGANCYCQS-UHFFFAOYSA-N 326.400 3.512 5 50 EHBA O=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 224334 FUMBKQRVUHTXQD-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(OC(C)=O)cc32)cc1 282820 YVNCEZJUHBFJEB-UHFFFAOYSA-N 340.335 3.781 5 50 EHBA Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccccc1[N+](=O)[O-] 459821 AJHYEEAEJKYWBF-UHFFFAOYSA-N 343.364 3.841 5 50 EHBA O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 4117103 DVMBDPMSHUSHMM-UHFFFAOYSA-N 326.312 3.639 5 50 EHBA biogenic CC(C)COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 274503 BBDBLQDNXVCSSD-UHFFFAOYSA-N 342.351 3.660 5 50 EHBA Cc1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 9244028 SGXWPFURCVCKDN-UHFFFAOYSA-N 342.380 3.510 5 50 EHBA COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 1753404 QPSDPKDCCGBCSA-UHFFFAOYSA-N 331.328 3.564 5 50 EHBA CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4799904 LFXFYBLMCNWZQQ-UHFFFAOYSA-N 328.328 3.506 5 50 EHBA O=C(NC1CC(c2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] 252482522 DIDYMEQBLVKANM-UHFFFAOYSA-N 330.771 3.924 5 50 EHBA C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@@H]12 229750453 NWUJOMYKIVREAM-JEBQAFNWSA-N 346.427 3.862 5 50 EHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCCC2 463291 CLBGRZAGFFVSGO-JXMROGBWSA-N 329.381 3.582 5 50 EHBA Cc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 287864 FSLXILYYIPGLOA-UHFFFAOYSA-N 334.397 3.629 5 50 EHBA Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] 460730 MKEIHQYCJAXKSK-UHFFFAOYSA-N 341.367 3.750 5 50 EHBA CCOC(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 609751 CKXFPLLKNWVWEZ-UHFFFAOYSA-N 345.380 3.580 5 50 EHBA CCCOc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 4813881 CVCWLIZDVCWSTQ-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA O=C(Nc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 287164 ZRRRCBVFIBRITN-UHFFFAOYSA-N 326.230 3.746 5 50 EHBA CN(C)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21 379031 KRXYGGQSPLHKGY-UHFFFAOYSA-N 334.379 3.813 5 50 EHBA NC(=O)c1cccc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 357773164 FWLLZYXPDUCVEZ-UHFFFAOYSA-N 342.298 3.864 5 50 EHBA C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 172754012 JBCWBYABGZJMSJ-NSHDSACASA-N 334.322 3.635 5 50 EHBA O=C(Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3101215 CIGDLGBHQMLOAY-UHFFFAOYSA-N 337.291 3.909 5 50 EHBA CC(C)CN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 437693 LBXSHEKULONEGF-UHFFFAOYSA-N 340.335 3.639 5 50 EHBA O=C(NCCSCc1ccco1)c1ccc(Cl)c([N+](=O)[O-])c1 2960411 IWBKYKTYNCURFG-UHFFFAOYSA-N 340.788 3.504 5 50 EHBA C[Si](C)(C)C1(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 169828570 IWTDIOUQPWEMIX-UHFFFAOYSA-N 338.392 3.532 5 50 EHBA CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(C)c2[N+](=O)[O-])C12CCCC2 170636835 LFWNSCOSGHLVMI-HOTGVXAUSA-N 346.427 3.713 5 50 EHBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1[N+](=O)[O-] 467033 SSVUDOAZCKFQPH-UHFFFAOYSA-N 334.803 3.803 5 50 EHBA Cc1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2c1CCCC2 582632 BQADNUDIHQLBTQ-UHFFFAOYSA-N 343.408 3.547 5 50 EHBA COc1cccc(N[C@H](CNc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 170598748 PYTBOWXZPQRERN-MRXNPFEDSA-N 344.415 3.937 5 50 EHBA O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 1189704 NCLHASIABOKGEI-GDNBJRDFSA-N 340.360 3.831 5 50 EHBA O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 732196 CEZWXSSKSKBFAJ-UHFFFAOYSA-N 327.727 3.913 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1cccc2cccnc12 4829003 GFUJEHGJYKJHEG-UHFFFAOYSA-N 339.307 3.763 5 50 EHBA C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 4117519 RLTJMSYXAHMHKI-HNNXBMFYSA-N 340.427 3.520 5 50 EHBA O=C(Nc1cccc2nsnc12)c1ccc(Cl)c([N+](=O)[O-])c1 373736 BRFLJXZUCCJOLQ-UHFFFAOYSA-N 334.744 3.505 5 50 EHBA Cc1c(NC(=O)c2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] 465957 KFZJADAUFRFWLO-UHFFFAOYSA-N 341.367 3.750 5 50 EHBA O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 2899081 CZGMIKXBHJSRFK-UHFFFAOYSA-N 332.184 3.543 5 50 EHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F 472955 FCWQAUONPOEGGY-UHFFFAOYSA-N 338.335 3.745 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)C12CC3CC(CC(C3)C1)C2 4902293 AVYYMJNHWMNMTO-UHFFFAOYSA-N 330.384 3.758 5 50 EHBA O=[N+]([O-])c1cc(CN2CCN(c3ccccc3F)CC2)ccc1Cl 55543370 QKIHXFAOPBAOIX-UHFFFAOYSA-N 349.793 3.710 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ccccn2)c1 173580968 BOPIVLHKUHTQRF-UHFFFAOYSA-N 349.346 3.963 5 50 EHBA O=C(O)[C@@H]1CC=CC[C@@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582276 FLDZRODHZDNSHW-UONOGXRCSA-N 336.343 3.738 5 50 EHBA COc1cccc(C(=O)Nc2cccc(-n3cccc3)c2)c1[N+](=O)[O-] 193959634 IVJZPHFIUKYANF-UHFFFAOYSA-N 337.335 3.646 5 50 EHBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 3958856 ZECQFFJJNDYWJB-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Sc2nc3ccccc3n21 240041 ZQRMBNJTHJWGOB-AWEZNQCLSA-N 325.349 3.822 5 50 EHBA O=C(O[C@H]1C[C@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@]13C2)c1ccc([N+](=O)[O-])cc1 257355411 AOTZIXMSCGHECF-PNJNBIIYSA-N 327.380 3.966 5 50 EHBA O=[N+]([O-])c1cccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)c1 15684921 OSMDEGDMCDFPHT-UHFFFAOYSA-N 338.412 3.836 5 50 EHBA O=c1oc2ccccc2c(N2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] 4565437 CLODJGJLKYWWIT-AWEZNQCLSA-N 336.347 3.695 5 50 EHBA Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1C 87998 JSCWBUFWQJIWGC-UHFFFAOYSA-N 325.324 3.841 5 50 EHBA CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 264353 VQIOEFALXCJUHP-UHFFFAOYSA-N 326.381 3.624 5 50 EHBA COc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 37131133 BMWOBECNFSIFRM-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA CCOc1cc(OCC)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5094703 SLQNWAIBRIIDKN-UHFFFAOYSA-N 344.367 3.953 5 50 EHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1C 243811 YVUGWYRJTUJCQC-UHFFFAOYSA-N 348.380 3.702 5 50 EHBA COC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 466604 QFAVWFRRFDMBRT-UHFFFAOYSA-N 325.755 3.564 5 50 EHBA O=C(Cc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 302927 KILJLUNAKMOWSF-UHFFFAOYSA-N 331.328 3.525 5 50 EHBA Cc1c(C(=O)OCC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] 462167 VOFOXCBKPCYYMG-UHFFFAOYSA-N 333.727 3.596 5 50 EHBA CCc1cccc(C)c1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 60815 CUXOUESFBMRBHS-UHFFFAOYSA-N 342.351 3.505 5 50 EHBA O=C(COc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 63675 WLGJUQNNFDPNDK-UHFFFAOYSA-N 346.338 3.931 5 50 EHBA COC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 16662283 RYYGMURXMWRUFA-BAUKFBFWSA-N 329.396 3.996 5 50 EHBA O=C(CC(F)(F)F)Nc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 242147497 WSHBEEYLAVXZML-UHFFFAOYSA-N 346.290 3.686 5 50 EHBA CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2170501 GAJCIVNAHXTWQY-GORDUTHDSA-N 327.296 3.632 5 50 EHBA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 15836612 HRYZQIBVNGXZOQ-ROUUACIJSA-N 348.358 3.717 5 50 EHBA C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 859845 JKBGFWFBKOPMHM-GFCCVEGCSA-N 332.787 3.999 5 50 EHBA CC(=O)c1ccc(N2CCC(F)(c3ccccn3)CC2)c([N+](=O)[O-])c1 408524534 VITWPBHBJZWQCU-UHFFFAOYSA-N 343.358 3.658 5 50 EHBA O=[N+]([O-])c1ccccc1N1CCC(O)(c2cccc3cnccc23)CC1 952963414 INNHWHAKQSKOHS-UHFFFAOYSA-N 349.390 3.631 5 50 EHBA C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 2325869394 LPOBJBZZSMSJTP-RKDXNWHRSA-N 341.751 3.560 5 50 EHBA Cc1ccc(-c2cc(=O)oc(-c3sccc3C)n2)cc1[N+](=O)[O-] 456781 TZNFJLYBBPJWJQ-UHFFFAOYSA-N 328.349 3.955 5 50 EHBA Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5533007 BGZBITFHYLECLE-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 609259 VWDWUIKITOHBTG-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3075298 QSSSRLCYFQUGDB-UHFFFAOYSA-N 342.461 3.678 5 50 EHBA Cc1cc(NC(=O)N2CCC(c3nccs3)CC2)ccc1[N+](=O)[O-] 328588389 DPIZKBRHYNUDCC-UHFFFAOYSA-N 346.412 3.771 5 50 EHBA O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 2969633 XOWLOHKIQKZDAG-UHFFFAOYSA-N 326.230 3.746 5 50 EHBA COc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4056110 WGYJAPCHDNOJFR-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1O 4582386 VIOLPSJWXSBLRV-UHFFFAOYSA-N 338.319 3.715 5 50 EHBA Cc1c(CNC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] 408332890 ZRKYYCUJYDSVID-MJEQTWJJSA-N 331.416 3.623 5 50 EHBA CC1CCN(c2ccc(C(=O)NC3CCCCC3)cc2[N+](=O)[O-])CC1 16361722 GKUNBROQZNYGLK-UHFFFAOYSA-N 345.443 3.894 5 50 EHBA C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 319228 MHQAZSJEAGSQIT-LBPRGKRZSA-N 332.787 3.999 5 50 EHBA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1 53653 DCBYTFPBLDSSNE-AWEZNQCLSA-N 331.368 3.739 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1 437640 HIBRXFHGUNOQAS-UHFFFAOYSA-N 339.120 3.749 5 50 EHBA O=[N+]([O-])c1ccc2nc(CSc3nc4ccccc4o3)[nH]c2c1 304897 AKYRFPVYJQICLN-UHFFFAOYSA-N 326.337 3.905 5 50 EHBA O=[N+]([O-])c1cc(F)c(N2CCc3ccccc3C2)cc1N1CCCC1 4168605 JRCZJTJNRXVINA-UHFFFAOYSA-N 341.386 3.897 5 50 EHBA CCSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1OC 4704410 IKQSHPBBDRKGFC-UHFFFAOYSA-N 332.381 3.968 5 50 EHBA CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 444649 LTIOVKFDHZAZHV-UHFFFAOYSA-N 347.758 3.849 5 50 EHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 450182 OOMKRNNTBQIYTI-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 2831435 AZGVJXAGTMYMKJ-LBPRGKRZSA-N 343.339 3.611 5 50 EHBA biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 253388879 LXIJSXFQLNOAAO-FMGMVOTKSA-N 326.396 3.549 5 50 EHBA O=[N+]([O-])c1cccc(Cl)c1CSc1nnnn1-c1ccccc1 467741 NINNBHUUCCDFCM-UHFFFAOYSA-N 347.787 3.516 5 50 EHBA O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccccc3)cccc12 4818007 FBPVMMOORMOZDW-UHFFFAOYSA-N 328.349 3.549 5 50 EHBA Cc1cscc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 176960602 GDSUXFOIDLZWJM-UHFFFAOYSA-N 346.408 3.648 5 50 EHBA Cc1cc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 315027 PYOYYRDIIFPCHM-UHFFFAOYSA-N 328.368 3.846 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1C 4427344 VNZRPCWXKORNSO-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CN(C)c1ncc(-c2nnc3c4ccccc4c4ccccc4n23)cn1 32509042 ZENMJLMZAQUDOG-UHFFFAOYSA-N 340.390 3.559 5 50 EHBA Cn1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc21 163768079 BKYWDDDROXNSCI-UHFFFAOYSA-N 349.390 3.891 5 50 EHBA CCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 3897677 VBZUGBGYJSWEJJ-BJMVGYQFSA-N 330.315 3.785 5 50 EHBA CCCCOC(=O)c1cc2c(=O)c3cc(F)ccc3oc2nc1C 3050160 CRHOHMRNTVOYPL-UHFFFAOYSA-N 329.327 3.746 5 50 EHBA O=c1c2cccc3c2c(nn1-c1ccc([N+](=O)[O-])cc1)-c1ccccc1-3 4152533 VUCFGFLYTUXYNI-UHFFFAOYSA-N 341.326 3.941 5 50 EHBA CCc1ccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 571996 QHCARWAKODDZNV-UHFFFAOYSA-N 347.754 3.850 5 50 EHBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H]2CCCO2)CC1 190266455 VHLYVNBPLIUOPL-INIZCTEOSA-N 347.415 3.635 5 50 EHBA Cc1c(-c2ccc(/C=C3\SC(=N)NC3=O)o2)ccc([N+](=O)[O-])c1C 4524088 VMHDKSJEGBWITL-AUWJEWJLSA-N 343.364 3.610 5 50 EHBA COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3o2)cc1 5024086 ZYBFVQPWUXKLRI-QPJJXVBHSA-N 341.279 3.823 5 50 EHBA CCOCc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 170613107 XHNMDQATWUSMIA-UHFFFAOYSA-N 326.356 3.620 5 50 EHBA Cc1ncc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(C2CC2)n1 253426066 AQPQHQMYWLWWNK-UHFFFAOYSA-N 346.774 3.785 5 50 EHBA CCCCOc1ccc(C(=O)OCCC[N+](C)(CC)CC)c(O)c1 822876855 GEYIFYRITOGRNN-UHFFFAOYSA-O 338.468 3.604 5 50 EHBA COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 103336 STCRMCUUEGOUJV-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=[N+]([O-])c1cc(Cl)c(F)cc1OCc1ncn(-c2ccccc2)n1 240225345 DHIRUBJOOFQSPS-UHFFFAOYSA-N 348.721 3.547 5 50 EHBA O=[N+]([O-])c1ccc(-n2nnnc2SCc2cccc(Cl)c2)cc1 617074 FVBXIDGUAODNIO-UHFFFAOYSA-N 347.787 3.516 5 50 EHBA Cc1cc(NC(=O)[C@H]2C[C@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 248758776 GJJUBUVFUYTLKI-CLLJXQQHSA-N 343.383 3.594 5 50 EHBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC12CCOCC2 282436027 FNGMIXKIXBQLDW-OAHLLOKOSA-N 347.415 3.682 5 50 EHBA CCOC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 619368 PBOCXDIEYCAEGS-UHFFFAOYSA-N 339.782 3.954 5 50 EHBA COc1cccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])c1Cl 4542736 KUHRCLVSOZURGG-MDZDMXLPSA-N 332.743 3.909 5 50 EHBA CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C)c2[N+](=O)[O-])C12CCCC2 170636836 LFWNSCOSGHLVMI-HZPDHXFCSA-N 346.427 3.713 5 50 EHBA C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 3189124 BOAXHUFLNOCEAZ-CYBMUJFWSA-N 337.335 3.991 5 50 EHBA C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4718957 UGWBTBHUVDJFGY-XUXNNNHQSA-N 328.412 3.930 5 50 EHBA COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 4840741 LKYYDNVQCWPUFX-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C2CCCCC2)cc1 193310 OTTLEDYZGGMXRU-UHFFFAOYSA-N 328.372 3.628 5 50 EHBA CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 370680 WDOZEBWOEAUZAI-KRWDZBQOSA-N 328.368 3.550 5 50 EHBA Cc1cc(C)cc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3)no2)c1 2470861 NAYWUCNRPIJRJI-UHFFFAOYSA-N 339.351 3.764 5 50 EHBA CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 160274748 KPMJFJSTFBUQBO-UHFFFAOYSA-N 333.347 3.933 5 50 EHBA COc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1 4839641 JYGFLSJYKHORLN-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCCC1 5050642 TXEBPZKXANXDTG-UHFFFAOYSA-N 331.416 3.600 5 50 EHBA O=[N+]([O-])c1c(NCc2ccc(-c3ccncc3)cc2)nc2ccccn12 2325735154 DGRMCHYJXBGYAJ-UHFFFAOYSA-N 345.362 3.917 5 50 EHBA O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccc(Cl)cc2)cc1 368091 QYYYEBDMERBEFH-UHFFFAOYSA-N 347.787 3.516 5 50 EHBA Cn1c(=O)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2ccccc21 4866560 UOTFDQYQLUZBMD-UHFFFAOYSA-N 329.743 3.844 5 50 EHBA O=C(c1cccnc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 31848 MEKUSLJJCICSRY-UHFFFAOYSA-N 333.347 3.837 5 50 EHBA CCCCNc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] 5050745 JPDKWVZBUPZJDP-UHFFFAOYSA-N 328.372 3.763 5 50 EHBA Cn1c(-c2ccc(Br)cc2)nc2cc([N+](=O)[O-])ccc21 4543034 YGBPUZVNCZHWHH-UHFFFAOYSA-N 332.157 3.911 5 50 EHBA in-vitro O=C(COc1ccc(Cl)cc1Cl)Oc1cccc([N+](=O)[O-])c1 357653 ZGKSNFLOYIMJGL-UHFFFAOYSA-N 342.134 3.886 5 50 EHBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(F)c1 253428097 HTEIJGIKOVRTQC-UHFFFAOYSA-N 341.298 3.543 5 50 EHBA CCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 444408 ZOYKSZOFKQJRBB-UHFFFAOYSA-N 327.340 3.586 5 50 EHBA Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 4668159 YYMPRKYNROXWFV-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA Cc1ccc(NC(=O)N=c2cc(C)[nH]c3ccccc23)c([N+](=O)[O-])c1 4774623 VPMCCWRZRPCNOA-UHFFFAOYSA-N 336.351 3.826 5 50 EHBA COc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 70418 FOJZFJLCIWEMIO-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA CCc1cccc(CC)c1NC(=O)COc1ccccc1[N+](=O)[O-] 145187 TZUJRWAUJHWPRT-UHFFFAOYSA-N 328.368 3.737 5 50 EHBA CCCCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 2741630 YWELPKBFKGQUTH-UHFFFAOYSA-N 342.351 3.804 5 50 EHBA Cc1noc(COc2ccccc2OCCC[N+](C)(C)C)c1Cl 6469933 ZXUXKZDTDDBPFT-UHFFFAOYSA-N 339.843 3.691 5 50 EHBA Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1[N+](=O)[O-] 5013141 NNNOILGCCLYMRJ-UHFFFAOYSA-N 341.392 3.747 5 50 EHBA CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nccc3sccc23)c1 253393039 PGYBXXVBQRNWAE-UHFFFAOYSA-N 343.364 3.856 5 50 EHBA Cc1cc(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c(Cl)c1 145289 FQVGKQJUBJHDHQ-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 2546458 GYDHRNGDUKYWCZ-UHFFFAOYSA-N 345.786 3.640 5 50 EHBA CCCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 2952703 RPSDASYJDPKOND-UHFFFAOYSA-N 342.351 3.804 5 50 EHBA COc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[N+](=O)[O-] 4840001 IFYZPBVNBGLDQR-UHFFFAOYSA-N 340.257 3.875 5 50 EHBA Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 917902069 JQZIYMWEGZEBAP-UHFFFAOYSA-N 341.772 3.633 5 50 EHBA Cn1c(Cc2cccs2)nnc1SCc1ccc([N+](=O)[O-])cc1 1058040 JDMDNUKJORBAQP-UHFFFAOYSA-N 346.437 3.668 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]4CCCC[C@H]43)n2)c1 230119203 FZTDBERQTGWLCP-CZUORRHYSA-N 342.399 3.799 5 50 EHBA Cc1cc(C)c2c(N)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1 4187120 SXSALPJJZQVQII-UHFFFAOYSA-N 342.380 3.656 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc(Cl)c1 1927191 ZDAHPGZJBWPUIL-VMPITWQZSA-N 332.743 3.909 5 50 EHBA COc1ccc(Cl)cc1NCCC(=O)c1cccc([N+](=O)[O-])c1 25539930 WTRZZEPPQLFWEK-UHFFFAOYSA-N 334.759 3.942 5 50 EHBA COc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1C(F)(F)F 85210182 MTDJGXASNFJIEW-UHFFFAOYSA-N 341.241 3.987 5 50 EHBA in-vitro COc1cc([N+](=O)[O-])ccc1NC(=S)N1c2ccccc2C[C@H]1C 5041642 LWBOUTPRSIGQOO-LLVKDONJSA-N 343.408 3.751 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ncoc1-c1ccc(F)cc1 184820077 DKSILLONXLGDES-UHFFFAOYSA-N 345.261 3.780 5 50 EHBA O=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 5945019 VJSVYFNMBCOLAM-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA CCN(CC)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 373754 VNOCFURNPOWPQB-UHFFFAOYSA-N 343.383 3.702 5 50 EHBA CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4578333 XCXMBTJGFSURHZ-UHFFFAOYSA-N 341.367 3.832 5 50 EHBA CC(=O)C(C(C)=O)[C@H](c1cccs1)[C@H](c1ccccc1)[N+](=O)[O-] 100406763 YIDKMPZNTMIPKC-IRXDYDNUSA-N 331.393 3.644 5 50 EHBA O=C(Nc1ccccc1)c1cccnc1Nc1ccc([N+](=O)[O-])cc1 4622230 GESBVFDAAMPSLK-UHFFFAOYSA-N 334.335 3.986 5 50 EHBA O=C(Nc1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 178327 BKUCLEQRHPUAHD-UHFFFAOYSA-N 344.710 3.607 5 50 EHBA O=C(O[C@H]1C[C@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@@]13C2)c1ccc([N+](=O)[O-])cc1 257355414 AOTZIXMSCGHECF-XRSKEVPWSA-N 327.380 3.966 5 50 EHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 55142034 IWCYGVSZRWELMV-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA CCN(CC)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4491881 PZKUSJLTKDVNCX-GOSISDBHSA-N 342.395 3.835 5 50 EHBA CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(C)c2[N+](=O)[O-])C12CCCC2 170636833 LFWNSCOSGHLVMI-JKSUJKDBSA-N 346.427 3.713 5 50 EHBA CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5000159 SMIBEIRLVGHCOM-GFCCVEGCSA-N 334.397 3.909 5 50 EHBA Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 67886 QLQZMZMJJLZTDF-UHFFFAOYSA-N 338.407 3.998 5 50 EHBA CCOc1ccc(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 3900432 WELRWSANBIXMPP-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA Cc1nn(CCC(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-] 252516507 SWWRNQVOODZYGO-OWCLPIDISA-N 349.431 3.700 5 50 EHBA Cc1cc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 4846680 DYJRQCCTCOEEBU-LLVKDONJSA-N 334.759 3.963 5 50 EHBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](c2ccccn2)C1 225634050 LQEZNNABELLKIV-CQSZACIVSA-N 340.383 3.628 5 50 EHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(Cl)c1Cl 231926 DHHQOQSRCJFSSU-UHFFFAOYSA-N 337.118 3.702 5 50 EHBA Cc1c(CC(=O)Nc2cccc(-c3ncco3)c2)cccc1[N+](=O)[O-] 155044802 OHHOMZDYCLISLB-UHFFFAOYSA-N 337.335 3.739 5 50 EHBA CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4040999 KJXYLPLXFZOTDY-IZZDOVSWSA-N 342.351 3.654 5 50 EHBA Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 240171 SEVAWJSPGIAIHX-QGZVFWFLSA-N 328.393 3.990 5 50 EHBA Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 454351 ZSQUAXKCSKXJIM-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA COc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc([N+](=O)[O-])c1C 408333267 BQXRQGQJZZWLSC-KPZWWZAWSA-N 332.400 3.564 5 50 EHBA CCCCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2811159 KVSDKRQLZQEAPB-UHFFFAOYSA-N 342.351 3.804 5 50 EHBA COc1cccc2c1Oc1cc([N+](=O)[O-])cc(N(C)C(C)=O)c1C=C2 1423839 CCYRDIKHHMMVPJ-UHFFFAOYSA-N 340.335 3.862 5 50 EHBA CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-] 556499 JDQPFUSVZQWIEU-UHFFFAOYSA-N 337.335 3.794 5 50 EHBA Cc1nc2c(s1)[C@@H](N(C)C(=O)c1csc([N+](=O)[O-])c1)CCC2 171924161 XKGKEEOQXNFPRA-NSHDSACASA-N 337.426 3.571 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1Br 5005150 UOKOAWJQECYPMK-UHFFFAOYSA-N 339.120 3.749 5 50 EHBA Cc1cc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Cl 443590 SHGRDFOUVXMPRD-UHFFFAOYSA-N 338.722 3.713 5 50 EHBA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1cccc([N+](=O)[O-])c1 507635 PMHVYPKNSLANMB-AWEZNQCLSA-N 331.368 3.739 5 50 EHBA O=C(NCc1cccnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 176145 RIZAYBNEJJBGOW-UHFFFAOYSA-N 347.783 3.788 5 50 EHBA CCOc1ccccc1-n1c(S)nnc1-c1cccc([N+](=O)[O-])c1 2864534 PWMHLQUEVLEVCN-UHFFFAOYSA-N 342.380 3.530 5 50 EHBA Cc1cc(Sc2nnc(C)s2)nc(-c2ccc([N+](=O)[O-])cc2)n1 241634566 PNMFQUCODAIFAY-UHFFFAOYSA-N 345.409 3.671 5 50 EHBA O=C(CSc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 2842798 AAOXLOYHTLSWJH-UHFFFAOYSA-N 347.377 3.681 5 50 EHBA O=C(O[C@@H]1C[C@@]23CCCC[C@@]24C[C@H]1O[C@H]4C3)c1ccc([N+](=O)[O-])cc1 216368062 XMYLNJHLYQFDBD-VYDRJQSISA-N 343.379 3.632 5 50 EHBA Cn1ncc2c(-c3ccc(O)cc3)c3oc4cc(O)ccc4c3nc21 253412674 RRQXZVPDGBWPEY-UHFFFAOYSA-N 331.331 3.946 5 50 EHBA biogenic COc1ccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2F)cc1Cl 253418549 SWGDPSHHRQIDHO-UHFFFAOYSA-N 338.722 3.673 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1C(=O)O 4695747 XDAKLGNYEHVCBW-QPJJXVBHSA-N 346.726 3.598 5 50 EHBA Cc1ccc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 225796162 SRXPTANKMORTJA-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 129750 JIMDIHBYRKKRCS-LLVKDONJSA-N 334.759 3.963 5 50 EHBA O=[N+]([O-])c1cccc(COc2c(Cl)cc(CO)cc2Cl)c1 469818 VLPOQUZAHFHRLO-UHFFFAOYSA-N 328.151 3.973 5 50 EHBA COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 609423 AHZFYZFBXWPVSP-UHFFFAOYSA-N 331.328 3.564 5 50 EHBA CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1 2699349 RLWHYLRJFAHRSF-UHFFFAOYSA-N 335.366 3.772 5 50 EHBA O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2898518 OAHCXBMHUNGIMI-UHFFFAOYSA-N 339.666 3.548 5 50 EHBA O=[N+]([O-])c1cnc(Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 3879143 GELYKTOFGPXVFD-UHFFFAOYSA-N 329.099 3.948 5 50 EHBA CC(C)(C)c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 38541 RCWLRNZBAYAJQH-UHFFFAOYSA-N 329.352 3.877 5 50 EHBA O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 338472 FJOIIWGXGPMMGP-SFHVURJKSA-N 333.347 3.509 5 50 EHBA CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 303446 OIZNFKHDSVVNOU-UHFFFAOYSA-N 326.381 3.955 5 50 EHBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1 451975 JSFCIQHYYMQILB-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=[N+]([O-])c1ccc(Oc2nc(-c3ccccn3)nc3c2CCC3)cc1 301215232 ZJOPHFNXDNPKHM-UHFFFAOYSA-N 334.335 3.728 5 50 EHBA Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]c1C 1303605783 KQFZWIQOLLDELJ-AWEZNQCLSA-N 348.790 3.565 5 50 EHBA Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 284816 HHAXOJSXKKSRLX-UHFFFAOYSA-N 338.407 3.998 5 50 EHBA O=[N+]([O-])c1ccc(Nc2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 4957474 PTZCWRGCABXZIU-UHFFFAOYSA-N 349.171 3.942 5 50 EHBA CC(=O)N(C)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 1753409 MGXFNNIHRKFFQM-UHFFFAOYSA-N 342.355 3.530 5 50 EHBA CC(C)Cc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 473126 XSORPBBWHFQETE-UHFFFAOYSA-N 340.792 3.551 5 50 EHBA O=[N+]([O-])c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 2859141 LYOYGTDQLISWPR-MRXNPFEDSA-N 327.409 3.959 5 50 EHBA Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1Cl 450803 NCGGLPGTXJJMKN-UHFFFAOYSA-N 338.722 3.713 5 50 EHBA O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc(F)cc3)cccc12 4980355 DTWFOPCPUPNTOH-UHFFFAOYSA-N 346.339 3.688 5 50 EHBA CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1C 445624 OXQLHGPUCTVJBA-UHFFFAOYSA-N 344.367 3.587 5 50 EHBA COc1ccc(C(=O)CCNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2520603 ZEHHNGLUWOBKAI-UHFFFAOYSA-N 334.759 3.942 5 50 EHBA CCN1CCC(N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1 5032129 PWBFNNRPJWBPEF-GOSISDBHSA-N 342.443 3.527 5 50 EHBA C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 461419 YNNILCSFDKPGIX-LBPRGKRZSA-N 332.787 3.999 5 50 EHBA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncccc1[N+](=O)[O-] 221283273 SDKVOBASBFCVML-UHFFFAOYSA-N 339.348 3.666 5 50 EHBA in-vitro Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc(C)c1Cl 5050921 NZQHHCNWIUDVKU-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1 507634 PMHVYPKNSLANMB-CQSZACIVSA-N 331.368 3.739 5 50 EHBA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 100802775 HRYZQIBVNGXZOQ-QZTJIDSGSA-N 348.358 3.717 5 50 EHBA CCCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 3878226 SQIDKSVHTOXXAH-UHFFFAOYSA-N 349.412 3.608 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1nc2c(s1)CCCC2 5041418 HTQWUSIKDXZDEH-UHFFFAOYSA-N 348.384 3.583 5 50 EHBA COCCNc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 5065089 CVKNQGPQQFAQFV-UHFFFAOYSA-N 349.774 3.559 5 50 EHBA N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 13426747 IQXCKRKEZCTTQG-SDQBBNPISA-N 349.755 3.647 5 50 EHBA O=C(Nc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl 476784 XFXXIKPCWMVOSJ-UHFFFAOYSA-N 337.788 3.836 5 50 EHBA COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 342183664 UIZJPASZPDSWDL-UHFFFAOYSA-N 337.335 3.851 5 50 EHBA O=C(CCCC(=O)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 32919411 ZGLXAMPZXWQSND-UHFFFAOYSA-N 330.315 3.726 5 50 EHBA Cc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 5687255 BJJFVMUIJISVBL-UHFFFAOYSA-N 342.380 3.510 5 50 EHBA COc1c(NC(=O)Nc2ccc(SC)cc2)cccc1[N+](=O)[O-] 1741758 JDYHPADESSEYRE-UHFFFAOYSA-N 333.369 3.969 5 50 EHBA O=C(O)[C@H]1CCCC[C@@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582270 HXOZFLYYEKBTMP-KBPBESRZSA-N 338.359 3.962 5 50 EHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Oc1ccccc1O 2831230 AZHFQMWQZSLRTA-UHFFFAOYSA-N 327.252 3.549 5 50 EHBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])c1 4010528 JNQDLOWGDQEGOE-UHFFFAOYSA-N 335.703 3.717 5 50 EHBA O=C(Nc1ccccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F 5093234 ZESJXBKVZOSFGO-UHFFFAOYSA-N 332.184 3.543 5 50 EHBA Cc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4993605 IEIYJVRJFZDLRT-UHFFFAOYSA-N 340.788 3.666 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 285272 LQCQTTGNHMJTHK-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA O=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 312660 MRUCINXJLMGGTK-UHFFFAOYSA-N 340.118 3.933 5 50 EHBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1Cl 2069219 IVJSMNGAQYHTHM-NTEUORMPSA-N 328.711 3.593 5 50 EHBA COc1cc(SC)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 4675201 HEIUGJZLZGYFEH-UHFFFAOYSA-N 332.381 3.886 5 50 EHBA CC(=O)C(C(C)=O)[C@@H](c1cccs1)[C@@H](c1ccccc1)[N+](=O)[O-] 100406753 YIDKMPZNTMIPKC-IAGOWNOFSA-N 331.393 3.644 5 50 EHBA O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCC2 237763 CNYZWKDZRIARLG-UHFFFAOYSA-N 337.331 3.769 5 50 EHBA O=[N+]([O-])c1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl 4990297 STMMJRFZWSLONJ-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1Cl 441509 BDIKFBKKFIHXSB-QHHAFSJGSA-N 346.726 3.629 5 50 EHBA Cc1ccc(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)N=3)cc1 100498632 QXFHLLATYJOLGL-UHFFFAOYSA-N 336.395 3.560 5 50 EHBA Cc1nc2c(s1)[C@H](N(C)C(=O)c1csc([N+](=O)[O-])c1)CCC2 171924158 XKGKEEOQXNFPRA-LLVKDONJSA-N 337.426 3.571 5 50 EHBA Cc1cc(NC(=O)c2cncnc2-c2ccccc2)ccc1[N+](=O)[O-] 241739115 RADDMYQJQPCKQQ-UHFFFAOYSA-N 334.335 3.613 5 50 EHBA O=C(Oc1ccc(F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 2749737 AWEDTRMHWSGANC-UHFFFAOYSA-N 340.104 3.716 5 50 EHBA Cc1ccc(NC(=O)c2ccccc2Br)c([N+](=O)[O-])c1 4948645 HAQQUXSLOFMIOQ-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]4CCCC[C@H]43)n2)c1 230119199 FZTDBERQTGWLCP-XJKSGUPXSA-N 342.399 3.799 5 50 EHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCCC2 466392 DMBUKTNVYGLMKB-MDZDMXLPSA-N 329.381 3.582 5 50 EHBA Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 38506 ZJBMMOGPKTXPAV-UHFFFAOYSA-N 336.141 3.885 5 50 EHBA Nc1c(Cl)ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl 242178822 XBCPWANOILTBQJ-UHFFFAOYSA-N 326.139 3.736 5 50 EHBA N[C@H]1CCCc2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc21 2325822031 XSVCKZAEDQMDQW-INIZCTEOSA-N 336.351 3.648 5 50 EHBA O=[N+]([O-])c1ccc2nc(CSc3nc4ccccc4[nH]3)[nH]c2c1 307579 CGHBSDJINGNECN-UHFFFAOYSA-N 325.353 3.640 5 50 EHBA O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O 4831606 DBNQZGPCPCXGCX-UHFFFAOYSA-N 325.276 3.944 5 50 EHBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Cl)cc1 70741 MZYTVWRLTXNNSE-NTEUORMPSA-N 328.711 3.593 5 50 EHBA CCc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 571995 BIQRTIXWAZBEJH-UHFFFAOYSA-N 347.754 3.850 5 50 EHBA O=C(O)[C@H]1CCCC[C@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582269 HXOZFLYYEKBTMP-KGLIPLIRSA-N 338.359 3.962 5 50 EHBA CC(=O)c1ccc(N2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 408522233 FSQFETLHFSMINW-INIZCTEOSA-N 325.368 3.576 5 50 EHBA CN(C(=O)c1ccoc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 180298123 KKGSLXSNAWREIH-UHFFFAOYSA-N 329.337 3.588 5 50 EHBA CN(C)c1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c2nonc12 4949610 IRTAQUGDGVIYMH-UHFFFAOYSA-N 333.735 3.594 5 50 EHBA Cc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1C 19959390 TVCJPGYWKWOJDU-UHFFFAOYSA-N 340.386 3.803 5 50 EHBA COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 87957 XVNSLHIUTWRZNW-UHFFFAOYSA-N 341.323 3.637 5 50 EHBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(F)cc1 5049677 YLIDWNLCNJRKPW-UHFFFAOYSA-N 336.278 3.688 5 50 EHBA COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 4043739 NWFQYHQVYAZURA-WEVVVXLNSA-N 342.351 3.572 5 50 EHBA Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 4362810 RXMAWDAFFXYYHI-UHFFFAOYSA-N 342.376 3.857 5 50 EHBA O=C(NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Cl 451948 HNADTWCYXYJWRC-UHFFFAOYSA-N 334.803 3.803 5 50 EHBA COc1cc(Nc2ccc(Br)cc2[N+](=O)[O-])ccc1O 95802929 BIYDNOYFSNSHKF-UHFFFAOYSA-N 339.145 3.815 5 50 EHBA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 443478 VZOYCJAUCCQTNV-UHFFFAOYSA-N 338.722 3.713 5 50 EHBA CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1 3996034 GSGVDKOCBKBMGG-UHFFFAOYSA-N 337.449 3.816 5 50 EHBA biogenic,in-vivo O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] 4410930 FZSDGMZLZXGGBN-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA CCCN1C2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 4702107 YJRAQEDBNNGECA-SFQUDFHCSA-N 348.362 3.569 5 50 EHBA COc1c(C)cccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 4839640 VOUBIEDLSYVNIQ-UHFFFAOYSA-N 343.364 3.774 5 50 EHBA O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=C2/SC(=S)N=C2O)c1 4054382 ZYLHAQUFHZOLDC-UKTHLTGXSA-N 349.437 3.914 5 50 EHBA O=C(NC1CCCCCCC1)c1ccc2nc3ccccc3c(=O)n2c1 425580 DJKOFPNORAKBFM-UHFFFAOYSA-N 349.434 3.690 5 50 EHBA O=C(NCc1ccc(Cl)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 1403961 GVYCQHLHHFWHNR-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA CC(=O)c1ccc(Oc2nc(C)nc3c2CCCC3)c([N+](=O)[O-])c1 253425954 KJFHTMIEDDKPIK-UHFFFAOYSA-N 327.340 3.567 5 50 EHBA O=C(Nc1ncccc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 179890084 HLBSPGYFPPWCIE-UHFFFAOYSA-N 345.664 3.914 5 50 EHBA Cc1cc(C)cc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])c1 670417725 JNHQPPXWQIHVQF-UHFFFAOYSA-N 331.284 3.562 5 50 EHBA Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 32376 KLOQALMKTPJJIZ-UHFFFAOYSA-N 338.407 3.998 5 50 EHBA N[C@@H]1CCCc2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc21 2325822032 XSVCKZAEDQMDQW-MRXNPFEDSA-N 336.351 3.648 5 50 EHBA O=Cc1ccc(Sc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 2858222 HAXQPAVZEOVFDJ-UHFFFAOYSA-N 327.321 3.609 5 50 EHBA CCCCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 4814291 WXICEWIFDPVOCP-UHFFFAOYSA-N 334.397 3.590 5 50 EHBA COc1ccc(NC(=O)CCCOc2cccc(C)c2)c([N+](=O)[O-])c1 4042298 IVHGBUGTNNXDRP-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA COc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 168670 ALNAWLDSKPBNIL-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA Cc1cccc(C)c1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104229269 GWAKRGRGQQWUGL-UHFFFAOYSA-N 332.272 3.772 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 55544024 BSVLWHSKKJBNFL-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA COc1ccc(CCNc2cc(Cl)ccc2[N+](=O)[O-])cc1OC 4503543 ADMZASRZAQBSDZ-UHFFFAOYSA-N 336.775 3.920 5 50 EHBA CC(C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 5909559 NNPVLAXEMXNNCM-UHFFFAOYSA-N 329.312 3.558 5 50 EHBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1c(F)cccc1F 355902 NBZBGSACFBAKQF-UHFFFAOYSA-N 335.291 3.735 5 50 EHBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 4689101 TWTXGQHCNXRBTJ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(Br)cc1 12336357 KPPXSCRLTHKKED-UHFFFAOYSA-N 336.141 3.811 5 50 EHBA O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 33286242 SPTMNTGPAUPILC-XNTDXEJSSA-N 340.360 3.831 5 50 EHBA COc1ccc(-c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3)n2)cc1 471582 HTQBMZWGKPQSHW-LLVKDONJSA-N 325.324 3.805 5 50 EHBA CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(-c2ccco2)s1 171444380 OBMWNZHPNVVDPS-UHFFFAOYSA-N 343.364 3.584 5 50 EHBA COc1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1 465501 UGYWBEXEISPLNQ-UHFFFAOYSA-N 348.314 3.557 5 50 EHBA COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C 613037 OOOORHRPAXUMOC-UHFFFAOYSA-N 344.367 3.951 5 50 EHBA CC(C)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 2831043 OCZXVYXQLDONCF-UHFFFAOYSA-N 345.330 3.581 5 50 EHBA O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cl)c1 3394902 QFUYWVHRWKQFQB-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA Cc1cc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)c1 4672276 CTEPNYHCQBJRAM-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 184172514 NUBKILNLMCONEL-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 2325869393 LPOBJBZZSMSJTP-IUCAKERBSA-N 341.751 3.560 5 50 EHBA Cc1cc(C)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2n1 2581852 IGRIYQWWLPXGAP-UHFFFAOYSA-N 327.365 3.635 5 50 EHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2ccccc12 47065 YPAFWESEDDOFFH-UHFFFAOYSA-N 328.349 3.549 5 50 EHBA CCOc1cc(C=O)cc(Cl)c1OC(=O)c1cccc([N+](=O)[O-])c1 312855 LRJQCVVCNPQOCF-UHFFFAOYSA-N 349.726 3.679 5 50 EHBA COc1cc(C(=O)Nc2ncccc2-c2ccccc2)ccc1[N+](=O)[O-] 181430080 TYOBWLKXKVIGDD-UHFFFAOYSA-N 349.346 3.918 5 50 EHBA CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C 162941056 HTESOCVXDRDWLQ-CYBMUJFWSA-N 332.360 3.781 5 50 EHBA Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])s4)C3)nc2c1 170606607 JJZNGLWAVJYXNF-LLVKDONJSA-N 343.412 3.620 5 50 EHBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Br 436987 FSBSUYACYLQBLM-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA Cc1cccc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 456044 GSLPFSAVPNMLDL-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA Cc1nnc(-c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)o1 4092258 AKVUXEXEZHQAQU-UHFFFAOYSA-N 336.351 3.516 5 50 EHBA CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])s2)s1 119855329 MBWQNOXVTINEIO-SECBINFHSA-N 339.442 3.817 5 50 EHBA CC1(C)C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O 269558 QFIKZFLDORQCPL-AWEZNQCLSA-N 331.368 3.739 5 50 EHBA O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccc(F)cc3)CC2)c1 55542843 YFISBISPUQNHLD-UHFFFAOYSA-N 349.793 3.710 5 50 EHBA O=[N+]([O-])c1ccc2nonc2c1Nc1ccccc1Br 4952540 LEKLAIJANQPVSY-UHFFFAOYSA-N 335.117 3.637 5 50 EHBA Cc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 361356 ANCNBIWJHCMJDX-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA Cc1cc(C(=O)Nc2nnc(CC(C)(C)C)s2)ccc1[N+](=O)[O-] 476742 OTIYEQAQARAAFX-UHFFFAOYSA-N 334.401 3.596 5 50 EHBA CCOc1ccc(NC(=O)c2ccccc2OCC)c([N+](=O)[O-])c1 4902400 FNTQPHPMLRGXST-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA Cc1cnc(Sc2nnc3sc4ccccc4n23)c([N+](=O)[O-])c1 170643049 SLLOEARIDNBJDI-UHFFFAOYSA-N 343.393 3.707 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1SCCc2ccccc21 175071874 QRBXUYQUWFSOPF-MRXNPFEDSA-N 344.392 3.573 5 50 EHBA N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 3899316 UXBYECZJGLSKMF-WUXMJOGZSA-N 349.755 3.647 5 50 EHBA Nc1cc(Cl)nc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 23283612 FJMGSSIRMHZXNZ-UHFFFAOYSA-N 343.568 3.732 5 50 EHBA COc1cc(CNc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1O 35335424 WXGLNXXETMPFBC-UHFFFAOYSA-N 326.711 3.714 5 50 EHBA O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C1CCCC1 1002511 WPXQXXDLFVVDAB-UHFFFAOYSA-N 332.278 3.665 5 50 EHBA COc1cc(CNc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC 4981367 UXVNGPRYWBWEDQ-UHFFFAOYSA-N 328.368 3.713 5 50 EHBA O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1 55543937 UHHCLTUUWUBPAG-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA O=C(CSc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 582555 WCWUQDGBTJIKFH-UHFFFAOYSA-N 341.348 3.620 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 55543540 FUYCFJFFWLKTAF-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA NC(=O)c1ccc(Oc2cncc(-c3ccccc3)c2)cc1[N+](=O)[O-] 1875260457 SJMTURONSDDRMZ-UHFFFAOYSA-N 335.319 3.548 5 50 EHBA CCOc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 101629031 PZNVQJOUPMBBBC-UHFFFAOYSA-N 348.271 3.554 5 50 EHBA O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 470575 FZAMBMKAXZLXNJ-UHFFFAOYSA-N 327.123 3.860 5 50 EHBA CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 471566 INOUYDZZCTUCTG-LBPRGKRZSA-N 342.351 3.514 5 50 EHBA C[C@H]1CCC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 2325869392 LPOBJBZZSMSJTP-DTORHVGOSA-N 341.751 3.560 5 50 EHBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 96033 ULVXDYPPPUOAAO-UHFFFAOYSA-N 328.372 3.628 5 50 EHBA CCCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 304064 LDUAHVRKCJBHJL-UHFFFAOYSA-N 341.367 3.894 5 50 EHBA Cc1ccccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 309414 QIFNNWHPORDBQY-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA Cc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 454083 GZPBOLVCWJMUTO-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA O=[N+]([O-])c1ccccc1-c1ccccc1I 300962 PGZBGYRMARBRMM-UHFFFAOYSA-N 325.105 3.866 5 50 EHBA CCCCn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 1778442 ANAFMKROXYZAQJ-UHFFFAOYSA-N 329.381 3.833 5 50 EHBA O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1O 4842607 ANUOLFWEGAWLKV-UHFFFAOYSA-N 338.772 3.685 5 50 EHBA Cc1ccc(C(C)C)c(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c1 2840260 IJZSONVMIZNWES-UHFFFAOYSA-N 342.395 3.835 5 50 EHBA COc1cc(CN2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC 4989052 TVLFCBDSKNDCPN-HIFRSBDPSA-N 334.416 3.767 5 50 EHBA CCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 445124 LFGXVVVIZSJSTC-UHFFFAOYSA-N 344.367 3.735 5 50 EHBA C[C@H](CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 4980826 SPVGXIWVYYXBFB-QGZVFWFLSA-N 339.439 3.911 5 50 EHBA Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 303242 LMSYMDSUPDKZPP-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CCc1c(C)sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c12 2808984 RQMASGFDUFSHGW-UHFFFAOYSA-N 339.380 3.785 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cl)cc1 63576 TYKJYOBGQAHYNU-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 4750277 UZHWDXZKKVESPQ-UHFFFAOYSA-N 327.159 3.671 5 50 EHBA O=[N+]([O-])c1cccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)c1 25759877 YTKJJZWXXBNJKX-UHFFFAOYSA-N 339.138 3.885 5 50 EHBA O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)o3)no2)c1 116779 UXRXGDMNRDSLED-UHFFFAOYSA-N 336.101 3.667 5 50 EHBA O=[N+]([O-])c1ccc(Oc2ccccc2)c(I)c1 467332 QNFPJAMXJNFVRR-UHFFFAOYSA-N 341.104 3.992 5 50 EHBA CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 2877559 QSCIOLRLULPGKC-UHFFFAOYSA-N 340.792 3.695 5 50 EHBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1Cc1ccccc1 4546355 XTMAOYBPHOBLOD-UHFFFAOYSA-N 332.315 3.544 5 50 EHBA Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 4652558 VFJKLWMCDLGVCL-UHFFFAOYSA-N 346.211 3.851 5 50 EHBA CCc1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 131383 FJQVYXLDYMGHQF-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA O=C(O[C@@H]1C[C@]23CCCC[C@@]24C[C@H]1O[C@@H]4C3)c1ccc([N+](=O)[O-])cc1 247355302 XMYLNJHLYQFDBD-RFLLJTPXSA-N 343.379 3.632 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 444013 NGWAQMFTQQMXDE-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA Cc1cc2ncn(C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2cc1C 5094163 HKMLRISOJASRIU-UHFFFAOYSA-N 329.743 3.903 5 50 EHBA Cc1cc(C)cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104230486 YAWNSUUSBNYAMB-UHFFFAOYSA-N 332.272 3.772 5 50 EHBA Cc1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)cc1[N+](=O)[O-] 4809836 DARANDVLALVPQR-SNAWJCMRSA-N 325.246 3.588 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCc1ccccc1 17071661 DJZAYFLRWHMDGL-ZDUSSCGKSA-N 343.383 3.746 5 50 EHBA CCOc1cc(C=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 308281 XIZLODGFUGXCDB-UHFFFAOYSA-N 349.726 3.679 5 50 EHBA CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 6667465 NHSVKGHNIWPVCK-LJQANCHMSA-N 335.363 3.570 5 50 EHBA O=C(c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl 3134963 ARGBVJFYTMNKHT-UHFFFAOYSA-N 330.649 3.893 5 50 EHBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncccc1Cl 179657149 RODOOVIFOHEBJX-VIFPVBQESA-N 337.788 3.763 5 50 EHBA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)ccc1[N+](=O)[O-] 373888296 UHHXYIRBDJGEBP-YEORSEQZSA-N 332.306 3.549 5 50 EHBA O=C(NCCc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 533953 CZWGARCLLUKWGG-UHFFFAOYSA-N 336.347 3.827 5 50 EHBA O=[N+]([O-])c1cnc(NCc2csc(COc3ccccc3)n2)s1 241160555 JYETVDUWSXCSFU-UHFFFAOYSA-N 348.409 3.699 5 50 EHBA O=C(Cc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 449878 GXUFLCPIGMMMEY-UHFFFAOYSA-N 335.157 3.539 5 50 EHBA O=[N+]([O-])c1cc(F)ccc1NC(=S)NCc1ccc(Cl)cc1 5041245 ZHUBFJJECFPMCJ-UHFFFAOYSA-N 339.779 3.874 5 50 EHBA O=[N+]([O-])c1ccc(S[C@@H]2N=C3CC=CC=C3S2)c([N+](=O)[O-])c1 5944055 BOILWQIMDNSCPI-CYBMUJFWSA-N 335.366 3.910 5 50 EHBA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 859844 JKBGFWFBKOPMHM-LBPRGKRZSA-N 332.787 3.999 5 50 EHBA COc1ccc(CNc2c(Br)cccc2[N+](=O)[O-])cc1 65336858 ZJLHKMSBGUXUOU-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA in-vitro Cc1ccc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 370545 QJMGRCARTGXOQK-UHFFFAOYSA-N 347.754 3.905 5 50 EHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl 2898224 NTCHUYHJJWRLRP-UHFFFAOYSA-N 339.666 3.548 5 50 EHBA Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 304398 FFMFWNURNYRRIV-UHFFFAOYSA-N 334.397 3.629 5 50 EHBA CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)o2)cc1 455860 ZPIOCBASFUWOKK-UHFFFAOYSA-N 338.319 3.676 5 50 EHBA Cc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 3833375 LCRWBOYTBKXZLQ-UHFFFAOYSA-N 342.380 3.510 5 50 EHBA O=Cc1ccc(Sc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1 5049973 XYYLIRDKMIZGLH-UHFFFAOYSA-N 341.348 3.532 5 50 EHBA COc1cc(SC)ccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 456536 FMEJAZBMNIGNOF-UHFFFAOYSA-N 336.344 3.717 5 50 EHBA Cc1ccc([N+](=O)[O-])c(OCCn2cnc3cc(C)c(C)cc32)c1 4759527 OMHUVNQHNHASFL-UHFFFAOYSA-N 325.368 3.949 5 50 EHBA COc1ccc2c(c1NC(=O)c1cc(C)ccc1[N+](=O)[O-])CCC2 192108964 RILIOVCMDIBMLR-UHFFFAOYSA-N 326.352 3.653 5 50 EHBA Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027822 NBSNIOGBNBVPET-UHFFFAOYSA-N 334.397 3.827 5 50 EHBA COc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] 462198 ITQWOHMDNAFUNW-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1ccc(F)cc1 122647665 WSPINTCBHZJESC-UHFFFAOYSA-N 341.298 3.569 5 50 EHBA CCc1[nH]nc(C(=O)Nc2ccc(SC)c(Cl)c2)c1[N+](=O)[O-] 176496684 RVQUDPFWIYVNFL-UHFFFAOYSA-N 340.792 3.508 5 50 EHBA CCOc1cc(C)ccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 225409506 DHQRPKHZKBCQBA-ZDUSSCGKSA-N 329.400 3.735 5 50 EHBA Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1c(C)[nH]c2ccccc12 194554611 WFQGHLISZKRGJY-UHFFFAOYSA-N 337.379 3.665 5 50 EHBA Cc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1 1422169 VTKCHBQHOZWXJU-UHFFFAOYSA-N 335.363 3.690 5 50 EHBA Cc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 2899510 UBSMWAAIHIQTCT-UHFFFAOYSA-N 346.211 3.851 5 50 EHBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1 2904143 IVVTVTNPCAONNJ-UHFFFAOYSA-N 345.405 3.935 5 50 EHBA O=[N+]([O-])c1ccc(CNc2ccccc2[C@H](O)C(F)(F)F)cc1 253429948 PGIFOVYKQKLRPB-AWEZNQCLSA-N 326.274 3.803 5 50 EHBA Cc1c(CO)cc([N+](=O)[O-])c(NC2CCCCCCC2)c1[N+](=O)[O-] 170619723 UBZTVFHRSMHNIS-UHFFFAOYSA-N 337.376 3.829 5 50 EHBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2ccccc2c1 190241 YBCFXEXIXKNMBT-UHFFFAOYSA-N 336.303 3.699 5 50 EHBA CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 2101852 PXYKJLSLPBTNBT-INIZCTEOSA-N 343.339 3.693 5 50 EHBA Cc1ccc(N2CCC[C@@](O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 225649712 MYOOQOPGTLKJBW-IBGZPJMESA-N 326.396 3.781 5 50 EHBA Cc1cc(Cl)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 451104 BOXATXVYNXMJMT-UHFFFAOYSA-N 338.722 3.713 5 50 EHBA Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 55543292 ZJHSWCSBEBLEDN-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C)c2[N+](=O)[O-])C12CCCC2 170636838 LFWNSCOSGHLVMI-CVEARBPZSA-N 346.427 3.713 5 50 EHBA COC(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1 60818 JOBHIIUTSGNEMY-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 307290 IWPUJCNISALKNJ-SNVBAGLBSA-N 349.184 3.848 5 50 EHBA COc1cccc([C@@H](C)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 610573 XCPMTDCZNIDLFE-LLVKDONJSA-N 331.397 3.651 5 50 EHBA CC[C@H]1C[C@@H](CC(=O)Nc2nccc3ccc([N+](=O)[O-])cc23)CCO1 863947334 XUPJYKZLTWPFDZ-WFASDCNBSA-N 343.383 3.677 5 50 EHBA C[C@@H](NC(=O)N1CCC(=C(F)F)CC1)c1cccc([N+](=O)[O-])c1 952880738 XCCDKPSLOXNFHZ-SNVBAGLBSA-N 325.315 3.612 5 50 EHBA O=C(c1ccccc1Cl)n1cncc1-c1ccc([N+](=O)[O-])cc1 315207 DVDRRQSRPKZVEB-UHFFFAOYSA-N 327.727 3.800 5 50 EHBA CN(C)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] 4819281 GDOZUYGEZRHOHQ-UHFFFAOYSA-N 348.428 3.667 5 50 EHBA O=[N+]([O-])c1c(Cl)cccc1OCCOCC(F)(F)C(F)(F)F 814774864 HUKYBACSGCFIKV-UHFFFAOYSA-N 349.639 3.841 5 50 EHBA Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 4695551 KAULGFHQUJOEPY-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CCOc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 359498 MPXLTIJOAZNGBC-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 294259 BQGVMZWXMWNYCD-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=C(NCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 452180 YQMLHDPZOFCIAJ-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA Cc1ccc(Cl)c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2859836 BHMXYPOWXHDEKJ-UHFFFAOYSA-N 336.687 3.684 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 117724517 CWIDDQYBLNGYLG-UHFFFAOYSA-N 328.393 3.515 5 50 EHBA O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccnc1 447403 RKTVWPGRYQFHOM-CSKARUKUSA-N 335.319 3.902 5 50 EHBA CCc1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 17068037 FPDUWTDEDGSNRU-UHFFFAOYSA-N 331.397 3.975 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 620106 XWOLRMXFZPBXJC-UHFFFAOYSA-N 341.367 3.750 5 50 EHBA O=C1S/C(=C/c2cccs2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 4694925 GZTSMHNRJUEKMK-MDWZMJQESA-N 346.389 3.893 5 50 EHBA COc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc([N+](=O)[O-])c1C 408333270 BQXRQGQJZZWLSC-XIKOKIGWSA-N 332.400 3.564 5 50 EHBA Cc1c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 5749273 PCKROMAFPDOHIC-UHFFFAOYSA-N 335.703 3.717 5 50 EHBA Cc1ccccc1CSCCNC(=O)c1ccc([N+](=O)[O-])cc1 2814513 UJGHZSKVUOZJJZ-UHFFFAOYSA-N 330.409 3.566 5 50 EHBA COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCc1ccccc1 4904230 DMVZUOKUMFLESU-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 6690859 JJFWGKXPMAZFBC-UHFFFAOYSA-N 331.416 3.600 5 50 EHBA Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2c1C 225399996 GFUZJYXOUWJXBL-UHFFFAOYSA-N 346.730 3.654 5 50 EHBA O=C1c2ccccc2CCC[C@H]1c1sc([N+](=O)[O-])cc1[N+](=O)[O-] 5379313 LMEUOAHRDZPGFL-LLVKDONJSA-N 332.337 3.867 5 50 EHBA O=C(O)[C@H]1CC=CC[C@@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582274 FLDZRODHZDNSHW-KBPBESRZSA-N 336.343 3.738 5 50 EHBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC(C)(C)OC(C)(C)C1 191350211 IQNYHQFHAVXGSQ-UHFFFAOYSA-N 335.404 3.633 5 50 EHBA Cc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 5017664 CAZBVIMXNKWISL-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA COc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cc1 7270122 JYXSTHDIPJVKSH-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA in-vitro Cc1cc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)ccc1[N+](=O)[O-] 4611116 GZNDOIPJROFHGB-UHFFFAOYSA-N 346.211 3.851 5 50 EHBA CC(C)Oc1cc(N2CCC(N3CCCCC3)CC2)ccc1[N+](=O)[O-] 95495912 CMHFWFAONXKWLF-UHFFFAOYSA-N 347.459 3.837 5 50 EHBA CNC(=O)c1ccc(N(CCC(C)C)C2CCCC2)c([N+](=O)[O-])c1 170599279 JGSQRCPSVDCPKD-UHFFFAOYSA-N 333.432 3.750 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1 433519 ZFASEIFTZDFLMM-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCCCC1 5050520 JXCPVPKUCOGZNI-UHFFFAOYSA-N 345.443 3.990 5 50 EHBA O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 473512 RWOTZXJBDLYMGF-UHFFFAOYSA-N 339.178 3.874 5 50 EHBA O=[N+]([O-])c1cccc(CCNc2ncnc3c2oc2ccccc23)c1 170590971 AUBXOABQWVHJQZ-UHFFFAOYSA-N 334.335 3.939 5 50 EHBA O=C1c2ccccc2CCC[C@@H]1c1sc([N+](=O)[O-])cc1[N+](=O)[O-] 5379311 LMEUOAHRDZPGFL-NSHDSACASA-N 332.337 3.867 5 50 EHBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 260852 MFZJHWLDKHIMAF-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA CCOC(=O)[C@@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C 46573 MIAQJSAYMJESEF-GFCCVEGCSA-N 326.348 3.585 5 50 EHBA COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)c1 4855248 BOUTYFUWGLBDEQ-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5005631 WWLBIDLAESIGEC-UHFFFAOYSA-N 339.666 3.548 5 50 EHBA CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CCOc2ccccc21 172049799 BOUPJXMJVPCLED-CQSZACIVSA-N 340.379 3.510 5 50 EHBA O=[N+]([O-])c1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1 296467 MGUKIXAKXGGKRO-UHFFFAOYSA-N 345.742 3.801 5 50 EHBA CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(=O)OC 311454 KYIMEVBTTWJDHZ-UHFFFAOYSA-N 348.380 3.566 5 50 EHBA CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 1730540 KKSJQQXZULJWIM-UHFFFAOYSA-N 326.460 3.848 5 50 EHBA Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] 458787 QAENAXMJVFUUCJ-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Cc1cccc(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2835406 BTGXRRBJYZAOMT-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2oc1=O 4802222 BMZQTNCMYLGGMG-UHFFFAOYSA-N 344.710 3.607 5 50 EHBA COc1cc(C(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC 184105 CGTVBKPDJRVNJS-UHFFFAOYSA-N 344.367 3.988 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4583058 WZANQKOCIZVMNP-UHFFFAOYSA-N 336.691 3.800 5 50 EHBA O=[N+]([O-])c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 5731718 LBEULDKEQQDTAD-UHFFFAOYSA-N 337.364 3.707 5 50 EHBA C[C@H]1C[C@H](C)CN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4745707 BIEOANCICWLMHB-HOTGVXAUSA-N 331.460 3.537 5 50 EHBA O=[N+]([O-])c1ccccc1N1CCN(c2nccc3ccsc23)CC1 328590349 DPOLFGSYBFSLRY-UHFFFAOYSA-N 340.408 3.531 5 50 EHBA C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 305899 VVSNYUCKUNQZEE-SNVBAGLBSA-N 349.184 3.848 5 50 EHBA COc1ccc(C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1[N+](=O)[O-] 1054465 JUFOPNUEBWSMMK-LLVKDONJSA-N 344.342 3.724 5 50 EHBA COc1ccc(-c2n[nH]c(C)c2Oc2ccc([N+](=O)[O-])cc2)c(O)c1 5634665 FQZCCQQSOGNUOY-UHFFFAOYSA-N 341.323 3.800 5 50 EHBA Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1C(=O)O 434963 FOXJKARPGUPVCD-UHFFFAOYSA-N 334.715 3.507 5 50 EHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCn2cccc2[C@H]1c1ccccc1 1425409 OTVBQXYYDPSSDF-LJQANCHMSA-N 347.374 3.642 5 50 EHBA CC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 302658 QVJJFNSCPQWWOQ-UHFFFAOYSA-N 340.792 3.650 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1coc(-c2cccs2)n1 357723453 FDVKRTZJZLOREH-UHFFFAOYSA-N 343.364 3.801 5 50 EHBA O=c1oc2ccccc2c(Nc2ccc3ncccc3c2)c1[N+](=O)[O-] 8684214 XZWILEIVGHRAQZ-UHFFFAOYSA-N 333.303 3.993 5 50 EHBA CCOc1cc(OCC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 5073055 AWPXSOTXVOKSJT-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 456580 ATEIEIQYNKOGJS-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA O=[N+]([O-])c1ccccc1SNc1ccc(Br)cn1 2584058 ABUQWJFROWCBCZ-UHFFFAOYSA-N 326.175 3.872 5 50 EHBA Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 1068586 CVSWNQMDVISKQE-NSHDSACASA-N 336.779 3.570 5 50 EHBA CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc([N+](=O)[O-])cc1 241326121 LZKINTFSGKJVGQ-MRXNPFEDSA-N 340.379 3.765 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1 176120 KAPACXMPYXILDE-CMDGGOBGSA-N 325.349 3.856 5 50 EHBA O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 67710 TXVRVDMNKYQXOS-UHFFFAOYSA-N 343.342 3.961 5 50 EHBA COc1cc(OC)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 363933 ZKQQUXBIQOUMRJ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc([N+](=O)[O-])c1O 36057473 IYLMLDPAYYLONF-FNORWQNLSA-N 338.319 3.733 5 50 EHBA C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4020585 OEZYOXZAUKYBEC-ZOFZFIDBSA-N 344.455 3.823 5 50 EHBA CCc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104230480 JGCXFEODEUDVAC-UHFFFAOYSA-N 332.272 3.717 5 50 EHBA CC[C@@](C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C)cs1 151168760 IAELSCKKIWJCJS-OAHLLOKOSA-N 337.376 3.554 5 50 EHBA Cc1cc(=O)oc2cc(OCc3ccccc3F)c([N+](=O)[O-])cc12 151043 RPELOWVDJPFXTC-UHFFFAOYSA-N 329.283 3.728 5 50 EHBA COc1ccc(OC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 168643 ZJZPMJDSQOBEDI-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2ccccc12 190265 RKDTUYXVFPLGEP-UHFFFAOYSA-N 336.303 3.699 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cc1 1057684 CIKFGZVWHRTPMW-UHFFFAOYSA-N 330.340 3.643 5 50 EHBA O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc12 4826401 QSFHJMMOBLSFOC-FPYGCLRLSA-N 328.711 3.920 5 50 EHBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C)c1C 90857 ZSRAXFNLTMSVDE-UHFFFAOYSA-N 348.380 3.620 5 50 EHBA O=C(NCc1ccc(O)c([N+](=O)[O-])c1)c1cc2sccc2s1 2325862668 CIWJQBZUKWMNDY-UHFFFAOYSA-N 334.378 3.507 5 50 EHBA Cc1c(C(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] 102235 QPTPBEQGMAICSK-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA CCOC(=O)[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 2164950 LPXZATUHUTVMQJ-INIZCTEOSA-N 345.376 3.502 5 50 EHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1ncc2cc(Cl)ccc21 2167224 SPVFLOQLDMTUSO-UHFFFAOYSA-N 334.694 3.817 5 50 EHBA Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 437890 GNFDSKYLQCVXFF-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2F)CC1 38843102 ZYMMCZDHFJZAEQ-UHFFFAOYSA-N 340.351 3.512 5 50 EHBA CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 3002481 UFOWDOCPOBPGGY-UHFFFAOYSA-N 327.340 3.504 5 50 EHBA Cc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1Br 358735 KKKLQZJNZBYTFW-UHFFFAOYSA-N 336.141 3.885 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 239425944 VMVFYBOTXPMUBU-WOJBJXKFSA-N 343.471 3.824 5 50 EHBA CC(C)(C)N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 303449 OWCDJFGVFHQAQX-UHFFFAOYSA-N 340.335 3.782 5 50 EHBA O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCCCC1 4998399 AIKLDQSXKMDPHC-UHFFFAOYSA-N 331.416 3.601 5 50 EHBA CCN(CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 568269 HGWVGTRMENRXAY-UHFFFAOYSA-N 341.411 3.997 5 50 EHBA COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 97757204 KWYWCHQVJPDDJC-UHFFFAOYSA-N 341.241 3.947 5 50 EHBA CCc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1 19959339 NZSJQGCRORQAAA-UHFFFAOYSA-N 340.386 3.749 5 50 EHBA Cc1cc(C(=O)Oc2ccc(Br)cc2)ccc1[N+](=O)[O-] 60945 YHUQKDXAVCASJJ-UHFFFAOYSA-N 336.141 3.885 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)OC/C=C/c1ccccc1 4797190 XNVPZRDJTRNOJN-VMPITWQZSA-N 328.324 3.865 5 50 EHBA Nc1nc2c(c3c1c(=O)oc1ccc(Br)cc13)CCCC2 20481170 BVQIBJSEPUUHHZ-UHFFFAOYSA-N 345.196 3.565 5 50 EHBA Cc1ccc(SCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 4857949 GBOYZLUWSTYECS-UHFFFAOYSA-N 330.409 3.734 5 50 EHBA N=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N)cc3oc-2c1 20111388 UPZKDDJKJWYWHQ-UHFFFAOYSA-N 330.343 3.964 5 50 EHBA biogenic,in-vitro CCc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 17068034 WRDFGVXYHSUPRP-UHFFFAOYSA-N 331.397 3.975 5 50 EHBA COc1ccc(OCCOC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 1753791 DACNCBNAWCRICX-UHFFFAOYSA-N 346.339 3.539 5 50 EHBA Cc1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1 4808371 WKIMCMVKKYUURL-UHFFFAOYSA-N 337.364 3.736 5 50 EHBA O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1 161339311 WHMQXEBTGUMAIJ-UHFFFAOYSA-N 336.229 3.726 5 50 EHBA Cc1cc(C(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] 436587 XRTHXRYDBTUIDN-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(F)cccc1Cl 1049059 VNUXIWJBHMOUHP-UHFFFAOYSA-N 338.722 3.577 5 50 EHBA Cc1c(CNC(C)(C)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] 186579610 IRFVAHOSNRWEAD-UHFFFAOYSA-N 338.411 3.815 5 50 EHBA Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1C 4310087 HDEOPQGOHSXECM-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1 5063912 BWOHJCDENCZUNZ-UHFFFAOYSA-N 349.774 3.559 5 50 EHBA Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] 476673 VNZCNTABXGCUTA-LLVKDONJSA-N 334.759 3.963 5 50 EHBA Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2679115 WKAFVZATAWKXNB-UHFFFAOYSA-N 335.381 3.794 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Br)cc1 4508166 JIZRGZPFYVCAOW-UHFFFAOYSA-N 349.184 3.847 5 50 EHBA Cc1nn(CCC(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-] 252516506 SWWRNQVOODZYGO-HRCADAONSA-N 349.431 3.700 5 50 EHBA Cc1c(CC(=O)Nc2ccc(O)cc2OC(C)C)cccc1[N+](=O)[O-] 408514590 WQWHXHLDJPOHAT-UHFFFAOYSA-N 344.367 3.577 5 50 EHBA O=C(Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1C(=O)O 1740188 DNNHWRZBVXBAIU-UHFFFAOYSA-N 336.303 3.699 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2)cs1 860390 WJSNREMUFAPQTD-UHFFFAOYSA-N 339.376 3.900 5 50 EHBA C[C@H](c1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 266583589 IUSISFLAKBWPTO-CQSZACIVSA-N 327.384 3.594 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O 3874496 RJMUSRYZPJIFPJ-UHFFFAOYSA-N 327.123 3.860 5 50 EHBA aggregator,biogenic,world COc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC 4989053 TVLFCBDSKNDCPN-ZFWWWQNUSA-N 334.416 3.767 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1C 122638 GQPQGIISWXYUEV-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 4804376 FDOZRIJNVPPKQY-LBPRGKRZSA-N 328.343 3.644 5 50 EHBA O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 384270 LJMZUGXZJVFKMC-UHFFFAOYSA-N 349.346 3.821 5 50 EHBA COc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c(C)c1 5042066 WUNUBQFXQHWTGZ-UHFFFAOYSA-N 347.396 3.729 5 50 EHBA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 100413810 INRFJTXFQXUGAZ-QFBILLFUSA-N 341.455 3.709 5 50 EHBA COc1cccc(N[C@@H](CNc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 170598749 PYTBOWXZPQRERN-INIZCTEOSA-N 344.415 3.937 5 50 EHBA O=C(OCc1ccc(F)cn1)c1c([N+](=O)[O-])cccc1C(F)(F)F 787792943 FOUQFMITSMTMOU-UHFFFAOYSA-N 344.220 3.505 5 50 EHBA CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 314923 RVOSJLDIJFYRCO-YRNVUSSQSA-N 326.352 3.954 5 50 EHBA Cc1c(C(=O)Nc2nnc(-c3ccccc3)s2)cccc1[N+](=O)[O-] 2763261 UQBGQOUZRXNCJG-UHFFFAOYSA-N 340.364 3.674 5 50 EHBA C[C@H](CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 23282867 RMHHGPJNRRDBLT-QGZVFWFLSA-N 339.439 3.738 5 50 EHBA CCOc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 611986 GUAKNSCPEPFSFR-GFCCVEGCSA-N 329.356 3.876 5 50 EHBA CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 612812 UDUAZOWRSKHYMB-AWEZNQCLSA-N 329.381 3.744 5 50 EHBA CSC1=NC(c2ccc(C)cc2)=NCN1c1ccc([N+](=O)[O-])cc1 4123432 AWUZWIFOGVSNNU-UHFFFAOYSA-N 340.408 3.847 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCCC1=CCCCC1 4999154 RWNRVXSQKKEJLD-UHFFFAOYSA-N 335.429 3.780 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSc1ccccc1 2982384 XRFJSCDYKNOHHV-MDZDMXLPSA-N 328.393 3.517 5 50 EHBA CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 3958959 JGHYMEQBKOYARK-UHFFFAOYSA-N 328.368 3.910 5 50 EHBA O=[N+]([O-])c1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 5572152 KAFDMQKVEYYSQF-UHFFFAOYSA-N 344.394 3.934 5 50 EHBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCCC1 4542659 NCLKVLLTDRRTOV-UHFFFAOYSA-N 328.368 3.800 5 50 EHBA C[C@H](NC(=O)N1CCC(=C(F)F)CC1)c1cccc([N+](=O)[O-])c1 952880731 XCCDKPSLOXNFHZ-JTQLQIEISA-N 325.315 3.612 5 50 EHBA Cc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 55543478 SNMNHTUIFFGWBL-UHFFFAOYSA-N 345.830 3.879 5 50 EHBA O=C(COc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 455322 ZABUQQRASZATSO-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA CCCCCC[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4557312 ZZIIAVVDXBHZOY-LLVKDONJSA-N 344.389 3.636 5 50 EHBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCCCC1)N1CCCCC1 4998495 ZHXIVHXQPATALB-UHFFFAOYSA-N 331.416 3.601 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 584904387 WMHFDTREBMQOCE-WOJBJXKFSA-N 343.471 3.824 5 50 EHBA Cc1nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1C 69930 UFPPAYBBXQBLSV-UHFFFAOYSA-N 341.392 3.943 5 50 EHBA Cc1sc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C 8989740 VHRYZRUBQILISU-UHFFFAOYSA-N 347.421 3.802 5 50 EHBA CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 4892266 FKEFOSJSXZLUEC-LSDHHAIUSA-N 326.352 3.736 5 50 EHBA CC(C)(C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 48121 MXDKRQKQSPUSOB-UHFFFAOYSA-N 328.368 3.910 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccccc2)s1 120984069 MSXRGPOCLKZBLF-UHFFFAOYSA-N 342.380 3.734 5 50 EHBA CCN1CCC(N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1 4477500 PWBFNNRPJWBPEF-SFHVURJKSA-N 342.443 3.527 5 50 EHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)C1CCC1 4804861 QPPKGQCBDXEIEU-UHFFFAOYSA-N 345.380 3.647 5 50 EHBA Cc1ccc(C)c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 55292258 WHOYLWWSKBKBJP-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA Nc1nc(-c2ccccc2)c2c(-c3ccc([N+](=O)[O-])cc3)ccnn12 226075379 YCSCTMAUGOIKEJ-UHFFFAOYSA-N 331.335 3.554 5 50 EHBA Cc1cc2ncn(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2cc1C 449816 NHJPRNKQBDGRID-UHFFFAOYSA-N 329.743 3.903 5 50 EHBA O=C(NCCSc1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] 175048540 OJXOWZQYRSXLFW-UHFFFAOYSA-N 336.800 3.770 5 50 EHBA O=[N+]([O-])c1cccc(C2=NOc3cc(Br)ccc3N2)c1 247038 ZUWRMYAHGRCFCC-UHFFFAOYSA-N 334.129 3.523 5 50 EHBA CCN(CC)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303086 QSYHEHWAPZABBF-UHFFFAOYSA-N 336.335 3.574 5 50 EHBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1Cl 458899 OYFXQDCPVGZGAK-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA C[C@H](C(=O)Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 1108227 QBQBVHKIMGQJFM-JTQLQIEISA-N 327.365 3.947 5 50 EHBA Cc1ccccc1CSCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 2814967 WERZASZKQRZEKH-UHFFFAOYSA-N 344.436 3.875 5 50 EHBA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 4011734 LOCMWINKKAQJNI-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA O=C(NCc1ccccc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] 467110 XNQVBPVIUQTWJX-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA CCC[C@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 4814271 AJQHBEINXCOAQM-VIFPVBQESA-N 334.401 3.911 5 50 EHBA COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 116110 NCRMALGUUCUOTN-RMKNXTFCSA-N 342.351 3.572 5 50 EHBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 4081932 JXNYBOYTMCUHHD-UHFFFAOYSA-N 339.351 3.573 5 50 EHBA O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 13961276 GFBFYKYTYBNTCT-UHFFFAOYSA-N 343.770 3.702 5 50 EHBA COc1ccc(Cl)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 442506 RBWVQYYYCUEFFM-VMPITWQZSA-N 332.743 3.909 5 50 EHBA CCc1ncc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 225495709 JRFNNWYPHAEZFB-UHFFFAOYSA-N 328.375 3.993 5 50 EHBA CCCCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 1801402 PPSDVCJVGIBCIG-UHFFFAOYSA-N 342.351 3.804 5 50 EHBA COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 291676 YDKQUQYMLGQQGP-UHFFFAOYSA-N 340.257 3.875 5 50 EHBA Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 455934 NLLAZJKDOOSQTD-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 463972 YASSMSJATLHPPW-UHFFFAOYSA-N 345.330 3.581 5 50 EHBA Cc1c(CNC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] 408332892 ZRKYYCUJYDSVID-XGWLTEMNSA-N 331.416 3.623 5 50 EHBA O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)ccc(F)c1F 187814645 YGITWMQAQDUUOJ-UHFFFAOYSA-N 347.252 3.813 5 50 EHBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 5094222 TVOIZNASHKTGCI-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=C(Nc1ccncc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 195371308 JOIPQUHANSEMPD-UHFFFAOYSA-N 349.346 3.821 5 50 EHBA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cn1 4619696 KTCMIKAQPKUVRK-QHHAFSJGSA-N 338.150 3.949 5 50 EHBA O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)o2)cc1 3613173 KYRAWAIIXYRHCZ-UHFFFAOYSA-N 327.365 3.861 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc([C@@H]2CCCOC2)cc1 253425651 KBTDRVCOIVHTTG-CQSZACIVSA-N 344.342 3.880 5 50 EHBA CCN(Cc1ccccc1)C(=O)c1c(Cl)nc(C)c([N+](=O)[O-])c1C 4754051 JXYDKIFTMXTFSC-UHFFFAOYSA-N 347.802 3.922 5 50 EHBA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 3961498 FSKKLZHQFCCWLD-LLVKDONJSA-N 334.759 3.963 5 50 EHBA C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)C1 2785594 FOSBANRDECFAIY-CYBMUJFWSA-N 344.367 3.639 5 50 EHBA O=[N+]([O-])c1ccccc1N1CCC2(CC1)OCCc1ccsc12 485162553 RLJHASGJXBERPD-UHFFFAOYSA-N 330.409 3.725 5 50 EHBA O=C(NCCc1cccc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-] 168544 XBFAJRUBSBYIPN-UHFFFAOYSA-N 339.178 3.874 5 50 EHBA Cc1occc1-c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 4735846 YLRYWVIINIGXQO-UHFFFAOYSA-N 345.336 3.521 5 50 EHBA Cc1ccc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)n3ncnc3N2)cc1C 101185853 MGOBIWYEAMRIER-SFHVURJKSA-N 347.378 3.859 5 50 EHBA CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4041000 DFIBMBGRYHLEQP-IZZDOVSWSA-N 342.351 3.654 5 50 EHBA aggregator COc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1[N+](=O)[O-] 1049180 AOQQALMGKMYFJN-UHFFFAOYSA-N 343.364 3.774 5 50 EHBA CS[C@H]1CCCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 156029451 XUMFBJQOYPYCSF-ZDUSSCGKSA-N 337.445 3.961 5 50 EHBA O=[N+]([O-])c1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2)cc1 2164925 KYECJWDYCBVFHN-UHFFFAOYSA-N 332.312 3.741 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2Cl)CC1 96268957 OGWNOEKDUWUTLR-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1nccs1 2698214 ZEJHXJWFLQWJQX-FNORWQNLSA-N 341.348 3.963 5 50 EHBA O=[N+]([O-])c1cn([C@@H]2CCCc3ccc(F)cc32)nc1-c1nccs1 225653775 HXWNRKRSEAWYTB-CYBMUJFWSA-N 344.371 3.980 5 50 EHBA O=[N+]([O-])c1cc(Cl)c(N2CCC(n3ccnc3)CC2)c(Cl)c1 170593168 UDWXHEIKRVBIJF-UHFFFAOYSA-N 341.198 3.940 5 50 EHBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 5049790 IGYFNPHRTUAEJF-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)s1 22591754 NTIGJEHZKZYGHT-UHFFFAOYSA-N 337.832 3.632 5 50 EHBA O=C(CCc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 68285 XNSDLFRYERGFET-UHFFFAOYSA-N 327.365 3.776 5 50 EHBA Cc1c(O)ccc2c1oc1c(-c3cccnc3O)c3cnn(C)c3nc12 253623688 GUXVBBXMAWVJFG-UHFFFAOYSA-N 346.346 3.649 5 50 EHBA Cc1noc(C)c1COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 837958961 LFXSUQYCIODSTE-UHFFFAOYSA-N 344.245 3.575 5 50 EHBA CCN(CC)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 568280 NXVOPWMYMJELHO-UHFFFAOYSA-N 327.384 3.689 5 50 EHBA O=[N+]([O-])c1ccc(N2CCCCCC2)cc1NCc1cccnc1 4740944 OBNASWYHFLDSSQ-UHFFFAOYSA-N 326.400 3.982 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2ccco2)C1 377630665 GEYWXDKGGTZYLG-JTQLQIEISA-N 335.747 3.863 5 50 EHBA Cc1nc(Cc2nnc(Sc3ccc([N+](=O)[O-])c(C)c3)o2)cs1 301129264 YZTBEAWOKSWZPL-UHFFFAOYSA-N 348.409 3.793 5 50 EHBA Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 456678 KTFGIAXVCADQKP-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA C[C@@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccccc1 4104316 JNJQPGQRNYZXRG-CQSZACIVSA-N 327.384 3.605 5 50 EHBA CCn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21 4264102 XLDLYOIHUDRJOB-UHFFFAOYSA-N 337.379 3.584 5 50 EHBA Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4560854 AECGINLTTUIKSQ-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 613663 DLNYIJMWCBFBDS-KRWDZBQOSA-N 341.342 3.822 5 50 EHBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccccc1 358029 QAVAYAXCKZNKEA-UHFFFAOYSA-N 339.376 3.894 5 50 EHBA O=[N+]([O-])c1ccc(-c2noc(COc3ccccc3Cl)n2)cc1 455455 AMUBAGHKPDMTRU-UHFFFAOYSA-N 331.715 3.877 5 50 EHBA Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1 52507954 BRFYDXYPTLYVPU-UHFFFAOYSA-N 335.404 3.715 5 50 EHBA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc([N+](=O)[O-])c1 2364254 PLJZXKMWLIGFEB-UHFFFAOYSA-N 343.770 3.702 5 50 EHBA Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 2831434 AZGVJXAGTMYMKJ-GFCCVEGCSA-N 343.339 3.611 5 50 EHBA biogenic COc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 463575 PYVOCXVZZBGZDT-RMKNXTFCSA-N 332.743 3.909 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 115729 PJEBXJINHMYLAA-UHFFFAOYSA-N 340.257 3.631 5 50 EHBA Cc1ccccc1C(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-] 4703755 GQDFPQBPZUHZPG-UHFFFAOYSA-N 347.802 3.789 5 50 EHBA Cc1cc(C)c(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)c([N+](=O)[O-])c1 4844633 FCQGAIRGTNECQU-RBUKOAKNSA-N 344.411 3.936 5 50 EHBA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 6667464 NHSVKGHNIWPVCK-IBGZPJMESA-N 335.363 3.570 5 50 EHBA O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 3872582 YKGGGCXBWXHKIZ-UHFFFAOYSA-N 332.311 3.969 5 50 EHBA aggregator,biogenic,world Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])s4)C3)nc2c1 170606608 JJZNGLWAVJYXNF-NSHDSACASA-N 343.412 3.620 5 50 EHBA Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 456324 RJJQSYWJYPNSNO-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA O=C(NCc1ccco1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 4867327 OLRJWYKMHQXCBY-UHFFFAOYSA-N 338.319 3.910 5 50 EHBA Cc1ccc2ccccc2c1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 480055034 ASCIENJRINYXCA-UHFFFAOYSA-N 345.358 3.815 5 50 EHBA Nc1ncnc(NCCC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 4059569 KOQVOJTWWXYVOV-UHFFFAOYSA-N 349.394 3.601 5 50 EHBA O=C(Nc1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1F 2155717 SCEZZBBJVNHNQR-UHFFFAOYSA-N 332.316 3.988 5 50 EHBA Cc1cccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C 461128 MMCALRUZIBDFEF-UHFFFAOYSA-N 325.324 3.841 5 50 EHBA CC(=O)c1ccc(N2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 302399963 JUGABKUFQVZNOX-CQSZACIVSA-N 331.397 3.904 5 50 EHBA O=[N+]([O-])c1c(Sc2nc3ccccc3[nH]2)ccc2nsnc12 2866294 XWTRLYBBMMQTHE-UHFFFAOYSA-N 329.366 3.627 5 50 EHBA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 3907347 UEDHHWSJONLDPY-UHFFFAOYSA-N 334.397 3.594 5 50 EHBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1nccs1 169987377 LIXMSIZMMZICCB-ZDUSSCGKSA-N 335.360 3.558 5 50 EHBA COc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4183010 AVOWMAJEQHRUNZ-UHFFFAOYSA-N 340.379 3.825 5 50 EHBA C[C@@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 376255 SLKLBZVQHBHSME-LBPRGKRZSA-N 332.787 3.999 5 50 EHBA Cc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 469195 LWYUKTJAJIMVEQ-UHFFFAOYSA-N 332.315 3.857 5 50 EHBA COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl 621471 UBADSFXILNNXBV-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA COc1ccc(NC(=O)COc2c(C)ccc(C)c2C)c([N+](=O)[O-])c1 4043002 QUPGFCQZHRXGJC-UHFFFAOYSA-N 344.367 3.546 5 50 EHBA COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 284721 XUABTORAOZGXAD-UHFFFAOYSA-N 340.257 3.875 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 150560 ZGJLNSZLMZHHEA-UHFFFAOYSA-N 331.715 3.877 5 50 EHBA Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 3129773 KRUBYOOIQOJMJB-UHFFFAOYSA-N 340.788 3.666 5 50 EHBA Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(C2)OCc2ccccc23)n1 408334865 RCZAAPHWHXXJQA-IBGZPJMESA-N 339.395 3.633 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Br)cc1 337765 YHVIHJZDGMRGIF-UHFFFAOYSA-N 349.184 3.847 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 245267461 LXIJSXFQLNOAAO-SPKFBTEASA-N 326.396 3.549 5 50 EHBA O=C(NCc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 358672 KWLKJCOPWNZWHY-UHFFFAOYSA-N 339.376 3.648 5 50 EHBA O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc([N+](=O)[O-])o1 528087 QFFGGVPIOKWFJR-UHFFFAOYSA-N 335.747 3.694 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccccc1Cl 4652538 BRPQXCCLJZHFOF-RMKNXTFCSA-N 332.743 3.909 5 50 EHBA COc1ccc(Cl)cc1NC(=O)n1cnc2ccc([N+](=O)[O-])cc21 4795427 WZKQOMCFAFLIKT-UHFFFAOYSA-N 346.730 3.687 5 50 EHBA Cc1nc(-c2ccccc2)oc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 174187943 HTWIHXDSCINBTF-UHFFFAOYSA-N 349.346 3.761 5 50 EHBA O=c1oc2ccccc2c2ccnc(NCCc3ccc(O)cc3)c12 1848443277 CNIXCKILPIIFNS-UHFFFAOYSA-N 332.359 3.701 5 50 EHBA O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([N+](=O)[O-])cc1Cl 555172 RYMFTSKRTIYAKM-UHFFFAOYSA-N 344.710 3.607 5 50 EHBA C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncccc1Cl 179657162 RODOOVIFOHEBJX-SECBINFHSA-N 337.788 3.763 5 50 EHBA Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 476799 PWVKNVYIUGRSLV-UHFFFAOYSA-N 334.397 3.827 5 50 EHBA O=C(NCc1ccco1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1055243 BLDPUXFJGVWLTC-UHFFFAOYSA-N 336.756 3.986 5 50 EHBA CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2870829 HWXYTTGGRNGDLX-UHFFFAOYSA-N 342.351 3.722 5 50 EHBA COc1cccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl 4542733 QANUOYNMLKTFPU-CMDGGOBGSA-N 332.743 3.909 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCc1ccccc1 17071662 DJZAYFLRWHMDGL-CYBMUJFWSA-N 343.383 3.746 5 50 EHBA CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 1007714 WSFXAEJFDATEHD-ZROIWOOFSA-N 344.348 3.911 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 162808097 NGWSKRQKGPCRDR-LBPRGKRZSA-N 346.412 3.771 5 50 EHBA COc1ccc(NC(=O)CCCOc2ccc(C)cc2)c([N+](=O)[O-])c1 4041788 PZQWBUMFJWDHEU-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)cc1 3877912 YASKGWXBRMFQCC-UHFFFAOYSA-N 340.339 3.526 5 50 EHBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 3885222 VVRJAJZQRIVRJL-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA CN(Cc1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 54992040 CIWDMWYXQSCNGH-UHFFFAOYSA-N 339.439 3.691 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1C2CC3CC(C2)CC1C3 84780 CTSACYBTEGTBER-SNAWJCMRSA-N 326.396 3.549 5 50 EHBA Cc1csc([C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 162555162 WZGRXERBHRTWJW-SNVBAGLBSA-N 334.401 3.593 5 50 EHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 271993 DMFYDAPWLWONCQ-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA Cc1cc(C)c(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 461178 CVEVOLFUVMHFAJ-UHFFFAOYSA-N 328.368 3.846 5 50 EHBA COc1cc(OC)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 4542442 IOFAUNLXEQUSEB-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA COc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 433591 FYPGZDFUDIRHLY-UHFFFAOYSA-N 336.141 3.597 5 50 EHBA COc1ccc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1[N+](=O)[O-] 100762052 NFMZMOUDFCWJAN-ACJLOTCBSA-N 332.400 3.644 5 50 EHBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCO2 5678205 RDKXVRQZZGCJOT-NEPJUHHUSA-N 345.738 3.963 5 50 EHBA O=c1cc(/C=C/c2cc(Cl)cc([N+](=O)[O-])c2O)[nH]c2ccccc12 15016946 MMMNAXCVWHGUIA-AATRIKPKSA-N 342.738 3.966 5 50 EHBA CC(C)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 2886590 YLZBWWBHHZAPCM-UHFFFAOYSA-N 331.397 3.844 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCc2ccccc21 5041938 QQYPTGKMCBFMTO-UHFFFAOYSA-N 327.340 3.588 5 50 EHBA O=[N+]([O-])c1ccc(CNC2(c3noc(C4CC4)n3)CCCC2)cc1F 283041730 IJYJFCYSTDVIMW-UHFFFAOYSA-N 346.362 3.553 5 50 EHBA O=C(Nc1cc2cc(Cl)cc([N+](=O)[O-])c2oc1=O)c1ccccc1 447896 OPBOYUBYABXSIO-UHFFFAOYSA-N 344.710 3.607 5 50 EHBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc([N+](=O)[O-])c1 70720 VTRDZEXWTGNKHR-ZROIWOOFSA-N 328.711 3.593 5 50 EHBA CC(=O)Nc1ccc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1741913 XJNWASOYVTXEGP-UHFFFAOYSA-N 349.730 3.818 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1C 469511 XYOUHPBXHTUTKM-UHFFFAOYSA-N 346.408 3.784 5 50 EHBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1c1nccs1 169987375 LIXMSIZMMZICCB-CYBMUJFWSA-N 335.360 3.558 5 50 EHBA Cc1cccc([N+](=O)[O-])c1NC(=O)c1cccc(Br)c1 4795703 DWGHDBYBCGXQPM-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(C)cc1 4041781 GKTNJUKXKXHJMB-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA Cc1ccc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 277378 QCJVTSXOSRZKLA-GQCTYLIASA-N 337.423 3.739 5 50 EHBA CCC(=O)Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1C 467091 DIZNUIANAZKXTH-UHFFFAOYSA-N 342.351 3.609 5 50 EHBA Cc1cc(C)c2c(CC(=O)Nc3ncc([N+](=O)[O-])s3)coc2c1 4820603 DNSHNZSJCSZLIA-UHFFFAOYSA-N 331.353 3.596 5 50 EHBA Cc1cc(C(=O)N2CCC3(CC2)CC3(F)F)cc([N+](=O)[O-])c1Cl 1775989384 MXSMWGAKYMGSRM-UHFFFAOYSA-N 344.745 3.818 5 50 EHBA CCOc1cc(OCC)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 447358 JICWFPODDFRXBQ-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA CC1(C)CC(=O)c2c(O)cc(OCc3ccc([N+](=O)[O-])cc3)cc2O1 615076 NFWIFECWFBOFCT-UHFFFAOYSA-N 343.335 3.623 5 50 EHBA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 3961497 FSKKLZHQFCCWLD-NSHDSACASA-N 334.759 3.963 5 50 EHBA CCCCN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4834678 QBEBZDKDBBFJBG-UHFFFAOYSA-N 334.397 3.590 5 50 EHBA NC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7466807 NNFAFCDTSBCMIN-UHFFFAOYSA-N 326.230 3.505 5 50 EHBA O=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 308295 YUULGQNPXHTRMN-UHFFFAOYSA-N 340.118 3.933 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(C)C 3957236 MEUYJODBCHLHHM-UHFFFAOYSA-N 344.367 3.744 5 50 EHBA COc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 461307 IWLPLYWLUUDBIA-UHFFFAOYSA-N 348.314 3.557 5 50 EHBA Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 1770384 LXAYENZTUUGSNU-UHFFFAOYSA-N 348.786 3.674 5 50 EHBA O=[N+]([O-])c1ccc(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 8925784 INOYPCJSUKPABZ-UHFFFAOYSA-N 342.664 3.977 5 50 EHBA COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1[N+](=O)[O-] 175655 LAFGVCLEDUGJIL-UHFFFAOYSA-N 343.364 3.774 5 50 EHBA CCCCOc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 1777474 ZBDQATDFYBSWLN-UHFFFAOYSA-N 344.367 3.791 5 50 EHBA Cc1ccc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4053256 BIDGCHMKOSNHEY-UHFFFAOYSA-N 340.379 3.729 5 50 EHBA O=C(Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4805830 QSNPLNIZVZJYJQ-UHFFFAOYSA-N 330.287 3.856 5 50 EHBA CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 615085 DTHOWGJWPJBSMY-UHFFFAOYSA-N 341.396 3.561 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 4652370 OATVMUMREJTDPU-UHFFFAOYSA-N 346.211 3.851 5 50 EHBA Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1cccc(Cl)c1 3133781 TUPLRSGQCOPSGX-UHFFFAOYSA-N 328.759 3.992 5 50 EHBA CC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4689082 OQNMTLRDPZHWQJ-UHFFFAOYSA-N 328.368 3.910 5 50 EHBA CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)c([N+](=O)[O-])c1 4902487 RGNNHKTWIUVKMI-QGZVFWFLSA-N 344.367 3.790 5 50 EHBA Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 86568 JBDAJJTWCNIRQT-UHFFFAOYSA-N 343.364 3.841 5 50 EHBA aggregator O=c1oc(-c2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc12 360357 IWJFFNXXIUHXOR-UHFFFAOYSA-N 347.124 3.526 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1N(C(=O)c1ccco1)C(=O)c1ccco1 264250 XZJVNGYXGFGFQG-UHFFFAOYSA-N 340.291 3.576 5 50 EHBA Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 239312 CQCKHKLAXMJOFN-UHFFFAOYSA-N 337.335 3.763 5 50 EHBA Cc1cc(C)cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 433003 LRPUXYYRHKUOOL-UHFFFAOYSA-N 325.324 3.841 5 50 EHBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1O 4713454 CTRXRQYMYXGOCG-UHFFFAOYSA-N 343.217 3.971 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)c1 5019697 UFYSUQSDLCECNE-UHFFFAOYSA-N 346.686 3.873 5 50 EHBA O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4cccs4)cc3n2)cc1 110465092 LMGOYRRGXUJJSX-UHFFFAOYSA-N 338.348 3.739 5 50 EHBA O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1[N+](=O)[O-] 127581 UDSREOOGSWXERA-UHFFFAOYSA-N 339.376 3.894 5 50 EHBA CCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 444432 NDTSNBOGRHWGGY-UHFFFAOYSA-N 327.340 3.504 5 50 EHBA CCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 4682360 XSIXWMNRUJKWSO-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA O=C1c2ccccc2[C@@]2(c3ccccc3)O[C@@]12c1ccc([N+](=O)[O-])cc1 4947623 DGMNYJRIBYGLHN-RTWAWAEBSA-N 343.338 3.960 5 50 EHBA CCc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 87984 GTKYWOVBCYWEII-UHFFFAOYSA-N 325.324 3.786 5 50 EHBA Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2810652 DVKDYLWDHPSXRK-UHFFFAOYSA-N 340.379 3.800 5 50 EHBA Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 3181849 LTFOQPHSHMCNSU-UHFFFAOYSA-N 340.364 3.553 5 50 EHBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 291952 LGDFAGXHPYUBBQ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA CC(C)Cc1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 468737 VLRSAAFCXCSNAK-UHFFFAOYSA-N 340.792 3.551 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Cl)cn1 4793290 PZXPKKHRKPWYCG-UHFFFAOYSA-N 328.111 3.908 5 50 EHBA C[C@@]1(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1(Cl)Cl 4748843 XKNLLXZPKYPHDF-NSHDSACASA-N 346.195 3.727 5 50 EHBA N=C1N(c2cccc([N+](=O)[O-])c2)Cc2ccccc2C12CCOCC2 3878914 JYHVPIFJQHJRSD-UHFFFAOYSA-N 337.379 3.640 5 50 EHBA O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1 5061409 AVCSHXMWIZEQHS-ZROIWOOFSA-N 328.711 3.593 5 50 EHBA CCOc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104231089 AJGQPKHCTZQAOX-UHFFFAOYSA-N 348.271 3.554 5 50 EHBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccccc1 344684 GACGWSFORSKFTQ-UHFFFAOYSA-N 347.270 3.681 5 50 EHBA CC(=O)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 348260 JGQZEQGDPKBLMH-UHFFFAOYSA-N 341.366 3.707 5 50 EHBA CCOc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4701180 LMBGPJHXDVTIDZ-UHFFFAOYSA-N 340.379 3.825 5 50 EHBA Cc1cccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1C 55543315 AEHLQHIGYPNBIT-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA COc1cccc([C@H](C)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 610572 XCPMTDCZNIDLFE-NSHDSACASA-N 331.397 3.651 5 50 EHBA Cc1ccc(NC(=O)n2ncc3ccc([N+](=O)[O-])cc32)cc1Cl 3091312 CMJWUGBUEYKNLP-UHFFFAOYSA-N 330.731 3.987 5 50 EHBA Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 240175 SEVAWJSPGIAIHX-KRWDZBQOSA-N 328.393 3.990 5 50 EHBA Cc1ccsc1-c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 5013395 KVEUUCBOIDBEIV-UHFFFAOYSA-N 346.393 3.736 5 50 EHBA CCCCCCN(CCCCCC)C(=O)c1nn(C)cc1[N+](=O)[O-] 6398166 RMAPOQPENYXCCC-UHFFFAOYSA-N 338.452 3.931 5 50 EHBA Cc1ccccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 55543610 ZHDYGNUTIJSKQN-UHFFFAOYSA-N 345.830 3.879 5 50 EHBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 103072 BMKRICQXDFPJSZ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA Cc1cccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 4819666 SHOXUDWXDNJCND-UHFFFAOYSA-N 330.409 3.566 5 50 EHBA Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 309416 WPKRUYHYGAQZBU-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12 2582391 HXQHWZTYFJDPJA-UHFFFAOYSA-N 343.726 3.551 5 50 EHBA CC[N+](CC)(CC)Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1 3145253 KPCWSWIWDDDWQS-UHFFFAOYSA-N 348.307 3.968 5 50 EHBA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4109300 VOXUPMNDPYEYFT-UHFFFAOYSA-N 337.118 3.702 5 50 EHBA O=C(NCCSc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 4701288 YKKRYSKWRDLFHI-UHFFFAOYSA-N 336.800 3.770 5 50 EHBA O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2520607 LOJXOGAPRXCIKT-UHFFFAOYSA-N 349.730 3.841 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)CCC2=O 191824092 LOOOASRHTPBFIA-UHFFFAOYSA-N 344.754 3.558 5 50 EHBA CC(C)(C)Cc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 465005 KEDMULFCZDYHIP-RMKNXTFCSA-N 346.412 3.687 5 50 EHBA Cn1ncc2c(-c3ccccc3)c3oc4cc(O)cc(O)c4c3nc21 263588650 WRLRTNZLSYZHCW-UHFFFAOYSA-N 331.331 3.946 5 50 EHBA Cc1c(C(=O)Nc2nnc(CC3CCCC3)s2)cccc1[N+](=O)[O-] 372856 WEDWLEDXPXNDPS-UHFFFAOYSA-N 346.412 3.740 5 50 EHBA O=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 451654 PJJXGNORWHOGDY-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA Cc1cc(O)ccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 474026 YRKUOOWXJZNBAF-UHFFFAOYSA-N 348.314 3.563 5 50 EHBA COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 452463 ACJRWQHHMXANBA-RUDMXATFSA-N 332.743 3.909 5 50 EHBA O=C(NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl 4699871 WARSELSUALLKII-UHFFFAOYSA-N 334.803 3.947 5 50 EHBA O=[N+]([O-])c1ccc(CNc2ccccc2[C@@H](O)C(F)(F)F)cc1 253429957 PGIFOVYKQKLRPB-CQSZACIVSA-N 326.274 3.803 5 50 EHBA Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1onc(C)c1[N+](=O)[O-] 205215 QKSXXPJUPGAHCE-MDZDMXLPSA-N 338.367 3.923 5 50 EHBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Sc2nc3ccccc3n21 240043 ZQRMBNJTHJWGOB-CQSZACIVSA-N 325.349 3.822 5 50 EHBA O=C(OC12C([C@H]3CC[C@H]1C3)[C@H]1CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 101037645 PMVUTMPVXBSXIC-WZHCYNNBSA-N 327.380 3.966 5 50 EHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 5698621 MCWINSKDJPLAFQ-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA CCCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 303615 JNQXLYILGZKFCS-UHFFFAOYSA-N 341.367 3.894 5 50 EHBA O=C(O)c1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc12 752074 DHOPFLFAWOZQIL-UHFFFAOYSA-N 336.303 3.699 5 50 EHBA C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4020586 OEZYOXZAUKYBEC-BEJULCTNSA-N 344.455 3.823 5 50 EHBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1CC[N+](=O)[O-] 12959172 HEVLGFZIZSWSFB-UHFFFAOYSA-N 338.285 3.777 5 50 EHBA CCc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 17068058 QLFNODZOFZLICV-UHFFFAOYSA-N 331.397 3.975 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1 146704 HZUSOKACLFDLOX-RUDMXATFSA-N 348.152 3.976 5 50 EHBA Cc1csc([C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)n1 170077002 NDEONISEEXHUNL-OAHLLOKOSA-N 344.396 3.742 5 50 EHBA CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 2848355 BCQUHCBKPBGUBW-UHFFFAOYSA-N 329.356 3.676 5 50 EHBA O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 15011684 BKCLDODIPVFQTK-NTEUORMPSA-N 342.332 3.541 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 187831503 LMURSGMGLPJKMW-UHFFFAOYSA-N 330.409 3.605 5 50 EHBA COc1cccc(C(=O)Nc2cc(C)cc3cccnc23)c1[N+](=O)[O-] 194809526 SMOQZAZKKKWRCL-UHFFFAOYSA-N 337.335 3.712 5 50 EHBA C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 305898 VVSNYUCKUNQZEE-JTQLQIEISA-N 349.184 3.848 5 50 EHBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCc1ccccc1 4892733 NPCRAOIDKHMFKI-UHFFFAOYSA-N 346.342 3.587 5 50 EHBA Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 5050183 DOPSJRPVRWAEOL-UHFFFAOYSA-N 340.383 3.541 5 50 EHBA Cc1nc(COC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)oc1C 755096285 IERLNLBIALKBFC-UHFFFAOYSA-N 344.245 3.575 5 50 EHBA Nc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1[N+](=O)[O-] 4597955 BRBWPTPBALQJSS-UHFFFAOYSA-N 331.335 3.554 5 50 EHBA CN(c1cnc([N+](=O)[O-])c(O)c1)C1CC(c2ccc(Cl)s2)C1 2325828017 WPSILCUBCZIGQH-UHFFFAOYSA-N 339.804 3.793 5 50 EHBA Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])c1 613860 CRTNZJAELPVYEQ-UHFFFAOYSA-N 342.376 3.857 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1cccc(C)c1 4042293 QASASMSJCWGFMV-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCc2ccccc2C1 4168612 OKVONNPRUXEXJO-UHFFFAOYSA-N 341.386 3.897 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN(c2cccc(Cl)c2)CC1 55544070 HRHFIRSQHAHJAF-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA CCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 304032 OLSZPNLLUYCOTG-UHFFFAOYSA-N 327.340 3.504 5 50 EHBA O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 85476724 ZMLDVKJABWTHCE-UHFFFAOYSA-N 327.214 3.859 5 50 EHBA in-vitro COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 898732 KKMPSGJPCCJYRV-UHFFFAOYSA-N 348.378 3.717 5 50 EHBA biogenic,in-vitro Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C 3880772 SCZWJXTUYYSKGF-UHFFFAOYSA-N 340.382 3.697 5 50 EHBA in-vitro Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 125349 HXPDJPMIFPTJCP-UHFFFAOYSA-N 345.298 3.755 5 50 EHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 4748711 BAKCNAKUVWVVGM-UHFFFAOYSA-N 340.383 3.541 5 50 EHBA O=C(O[C@@H]1C[C@]23CCCC[C@@]24C[C@H]1O[C@H]4C3)c1ccc([N+](=O)[O-])cc1 216367971 XMYLNJHLYQFDBD-SMYFESCOSA-N 343.379 3.632 5 50 EHBA CC(C)[C@H]1N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC12CCC2 359206753 MPWMFTCVSULRCB-MRXNPFEDSA-N 327.384 3.727 5 50 EHBA C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]12 241470639 NWUJOMYKIVREAM-FSPWUOQZSA-N 346.427 3.862 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\c1ccc(Cl)cc1 5092154 ZVMLAEJFAJMUGR-WTKPLQERSA-N 332.743 3.909 5 50 EHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 302792 BGACUBIDEQLCKV-UHFFFAOYSA-N 340.257 3.631 5 50 EHBA O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 4040787 PDTUKLLUQLQWDM-UHFFFAOYSA-N 349.184 3.929 5 50 EHBA O=[N+]([O-])c1cc(Nc2ccccc2)ccc1S(=O)(=O)C(F)(F)F 4755020 KTOPJRJWEBUSBM-UHFFFAOYSA-N 346.286 3.632 5 50 EHBA O=C(/C=C/c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 460496 JHWLWVNJWBTOPY-FPYGCLRLSA-N 343.339 3.996 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2c(c1)CCCC2 312843 BWCSOTLUCIFAFN-UHFFFAOYSA-N 340.379 3.800 5 50 EHBA CC1(C)C(=O)O[C@@H](c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1=O 459881 PMAIISAAALKIDD-AWEZNQCLSA-N 331.368 3.739 5 50 EHBA O=[N+]([O-])c1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1 4007975 NZHUALWXUCPQJC-UHFFFAOYSA-N 341.455 3.542 5 50 EHBA COc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 4839060 WWTQGUSUDJAKPH-UHFFFAOYSA-N 340.257 3.875 5 50 EHBA C[C@@H](CCc1ccccc1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 5610572 ZWGSZJOTHVROSV-HNAYVOBHSA-N 328.412 3.581 5 50 EHBA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 471736 TUIMRAHSROYUEG-UHFFFAOYSA-N 347.758 3.849 5 50 EHBA O=[N+]([O-])c1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 2838973 XZEYWWKWPWTEIW-UHFFFAOYSA-N 325.324 3.656 5 50 EHBA Cc1cc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 193602024 UTVTZPGEMBNSMY-JTQLQIEISA-N 331.294 3.709 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 245267457 LXIJSXFQLNOAAO-DJUIJXDQSA-N 326.396 3.549 5 50 EHBA Cc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1C 613211 FRHZOXRHLUQXQG-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 5733289 UABQQUDUUUKMGB-XNTDXEJSSA-N 340.360 3.831 5 50 EHBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1Cl 19959378 SFIPFQZBJWURJB-UHFFFAOYSA-N 346.777 3.840 5 50 EHBA O=C(COc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 130403 NQMMXPWDTYCLFV-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 1056200 ONAYJXDCXATMIU-UHFFFAOYSA-N 329.337 3.872 5 50 EHBA COc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC 1599011 TYIMHILMKDUTKI-VOTSOKGWSA-N 330.296 3.691 5 50 EHBA Cc1ccc2[nH]c3c(cc(O)c4c(=O)c5ccccc5c(=O)c43)oc2c1 4333615 HEAHTZNDLNUKHA-UHFFFAOYSA-N 343.338 3.955 5 50 EHBA C[C@H]1CCc2nc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)sc2C1 4999039 VYDDAAAQXWIMED-VIFPVBQESA-N 348.453 3.985 5 50 EHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3ccccc23)c1 3877696 WIFWFLHGNPQTSE-UHFFFAOYSA-N 328.349 3.549 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(C)C)cc1 477130 LTIZMGVSLYAYBB-UHFFFAOYSA-N 344.367 3.891 5 50 EHBA O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc1 170024441 NHRNDQYJRLZPOX-WMZOPIPTSA-N 341.411 3.863 5 50 EHBA Cc1cccnc1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 347913539 JTKSSNAFTNRADG-UHFFFAOYSA-N 339.273 3.594 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cccc2cccnc12 2155946 LSAVGWBQAHUDTF-UHFFFAOYSA-N 339.307 3.763 5 50 EHBA O=C(O)[C@@H]1CCCC[C@@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582272 HXOZFLYYEKBTMP-UONOGXRCSA-N 338.359 3.962 5 50 EHBA C[C@@H]1C[C@@H](C)CN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4745715 BIEOANCICWLMHB-HZPDHXFCSA-N 331.460 3.537 5 50 EHBA CCC(=O)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 451000 AMUFBDNQXWIXOD-IZZDOVSWSA-N 339.351 3.595 5 50 EHBA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 14256005 LQGSJACLHUFFAF-UHFFFAOYSA-N 334.397 3.693 5 50 EHBA COc1cc(C(=O)N2CC=C(c3cccs3)CC2)ccc1[N+](=O)[O-] 117722542 NRSZFUKJOURPEW-UHFFFAOYSA-N 344.392 3.594 5 50 EHBA O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 2842552 RNRSYAKKJIKONM-UHFFFAOYSA-N 332.703 3.624 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cn1)C(c1ccccc1)c1ccccc1 4045891 OAHDADQHLVOJTK-UHFFFAOYSA-N 333.347 3.760 5 50 EHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)o1 2969042 UMBCRWBLUIKXQO-UHFFFAOYSA-N 345.536 3.856 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1c(F)cccc1Cl 4704420 MFOSWGZKKPSIPF-UHFFFAOYSA-N 338.722 3.577 5 50 EHBA CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 5102886 VMLCUJQLKMMXLN-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA O=C(O)[C@H]1CC=CC[C@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582273 FLDZRODHZDNSHW-KGLIPLIRSA-N 336.343 3.738 5 50 EHBA CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 2828579 PYKOFSIKVTWSHZ-UHFFFAOYSA-N 341.367 3.976 5 50 EHBA CCN(CC)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 4998222 AKRLIPCPTRQIOP-UHFFFAOYSA-N 343.383 3.702 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 447704 KISMRXVDPUCCFH-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA COc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 1753789 PWGXKLVYXGCPLL-UHFFFAOYSA-N 331.328 3.564 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(CCCOc3ccccc3)n2)c1 2839660 NEXLWFSPHLDEOU-UHFFFAOYSA-N 325.324 3.656 5 50 EHBA O=C(Nc1ccccc1F)n1nc(Cl)c2ccc([N+](=O)[O-])cc21 3091315 OPDOVIRATXUCGS-UHFFFAOYSA-N 334.694 3.817 5 50 EHBA CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 5064729 YJIXMWYFGHNUPA-UHFFFAOYSA-N 330.340 3.563 5 50 EHBA CC1(C)C(=O)O[C@H](c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O 1152600 IFLNELYLLBRQLV-CQSZACIVSA-N 331.368 3.739 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(SC)cc1 1752592 JKBOPSIFTXNWEN-UHFFFAOYSA-N 334.353 3.936 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc(Cl)c2)CC1 4715918 XQYXCZPEFMYGFO-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA CN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCCC1 4747843 FQAHYAKNJNQJRW-UHFFFAOYSA-N 345.443 3.990 5 50 EHBA COc1ccc(NC(=O)COc2cc(C)cc(C)c2C)c([N+](=O)[O-])c1 4907640 IYUGFJVJOOIOJO-UHFFFAOYSA-N 344.367 3.546 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(Cl)c1 5104356 VLYUMTFFNDECRN-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA Cc1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)ccc1[N+](=O)[O-] 149164 LUPXEHMYLYDIIP-UHFFFAOYSA-N 339.303 3.537 5 50 EHBA COc1ccc(NC(=O)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 4750224 UBJDZBFWKFWUPU-UHFFFAOYSA-N 326.308 3.910 5 50 EHBA Cc1[nH]c2c(ccc3ccccc32)c(=O)c1CN1C[C@@H](C)O[C@H](C)C1 19791663 GIOVYRFIFRUGOD-ZIAGYGMSSA-N 336.435 3.599 5 50 EHBA O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 100802767 HRYZQIBVNGXZOQ-HDICACEKSA-N 348.358 3.717 5 50 EHBA COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl 262322 YSCAXHFRTPTSCS-VMPITWQZSA-N 332.743 3.909 5 50 EHBA N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 4524694 VPMVXYSKVKFHCB-SDQBBNPISA-N 349.755 3.647 5 50 EHBA CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 3997621 KBZIQGIZYPPJSK-UHFFFAOYSA-N 334.397 3.693 5 50 EHBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C 4699800 GKMKCEBPQOMAMS-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c1 5041729 XDPWTHWXWBSBBM-UHFFFAOYSA-N 329.381 3.915 5 50 EHBA Cc1ccc([C@@H](C)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] 170592768 DEBXNEBCPVFXPL-ZLOXQWCVSA-N 332.425 3.955 5 50 EHBA Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 318411 IRHPAGOAUHBPEH-UHFFFAOYSA-N 333.727 3.596 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)C1(c2ccccc2)CCOCC1 4844798 LICVOPLHQGFPNO-UHFFFAOYSA-N 340.379 3.590 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 55544056 FJQTUYNXSGGQIO-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA O=C(COc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1 4870382 QPGFHKDDKOUEEI-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 102994 JJVHTBJBHSOYJV-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA Cn1c(SCCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 473014 IVHTXBWGZRZLMD-UHFFFAOYSA-N 340.408 3.725 5 50 EHBA O=C(Nc1ccc(F)cc1F)OCCOc1ccc([N+](=O)[O-])cc1 2156391 YYQSCHYLMXYORF-UHFFFAOYSA-N 338.266 3.501 5 50 EHBA CCc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1 725339594 PKFOIKNQRYUULS-UHFFFAOYSA-N 331.284 3.507 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1OC 5092584 VUHRMQSFNSGDGJ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA CC(C)(C)c1ccc(C(=O)NC[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] 170651160 HLLJEOSFIAQYTD-OAHLLOKOSA-N 338.407 3.962 5 50 EHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1ccccc1 2900241 OXGRXVKBUVWTHY-VIFPVBQESA-N 349.730 3.647 5 50 EHBA COc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1 3997694 IAYYUHKCMUERMO-UHFFFAOYSA-N 338.319 3.715 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 55542926 IOAJBCSSLRLQDR-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA O=[N+]([O-])c1cccc(F)c1CN(C[C@H]1CCOC1)c1ccccc1 170621228 COQYMMSEGHNPAB-CQSZACIVSA-N 330.359 3.777 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2745675 OABQWJFSEIXVIU-UHFFFAOYSA-N 346.211 3.851 5 50 EHBA Cc1ncsc1CCCNc1ccc([N+](=O)[O-])c2ccncc12 2325811663 PATOHYWZROVNOC-UHFFFAOYSA-N 328.397 3.953 5 50 EHBA O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 732197 HCZGGXQQLXRGGR-UHFFFAOYSA-N 327.727 3.913 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](C)c1ccc(C)cc1 5041620 DMHYEBHDTQSJIW-LBPRGKRZSA-N 345.424 3.959 5 50 EHBA CC1=C(c2cccs2)[N+](=O)[C@](C)(c2cccc([N+](=O)[O-])c2)N1O 136181623 LOIFVUSAPNVCPD-OAHLLOKOSA-N 332.361 3.701 5 50 EHBA COc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 36046 BWLXOVVQSIUVPQ-UHFFFAOYSA-N 342.395 3.831 5 50 EHBA biogenic CCC[C@@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 4814270 AJQHBEINXCOAQM-SECBINFHSA-N 334.401 3.911 5 50 EHBA O=[N+]([O-])c1cn([C@H]2CCCc3ccc(F)cc32)nc1-c1nccs1 225653800 HXWNRKRSEAWYTB-ZDUSSCGKSA-N 344.371 3.980 5 50 EHBA COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC 3872044 LLEJIEBFSOEYIV-UHFFFAOYSA-N 348.378 3.717 5 50 EHBA biogenic,in-vitro CCOc1cc(OCC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 444039 VWYSUORUDWNACP-UHFFFAOYSA-N 348.330 3.784 5 50 EHBA COc1ccccc1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)cc(=O)o1 456565 QXGMMZLWZVCFMH-UHFFFAOYSA-N 338.319 3.594 5 50 EHBA Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1ccc(Cl)cc1 2508489 FAAWXABFTUGUQL-UHFFFAOYSA-N 328.759 3.992 5 50 EHBA Cn1ncc2c(-c3ccc(O)cc3)c3oc4cc(O)cc(O)c4c3nc21 263586197 RDHJGHAIKZYEOF-UHFFFAOYSA-N 347.330 3.652 5 50 EHBA biogenic Cc1c(C(=O)NC(=S)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] 455987 PCSPMQFOEJHOKI-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 571985 FZVBHJCOFOFREC-UHFFFAOYSA-N 335.315 3.788 5 50 EHBA Cc1cc(C)c(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 4821223 JIWHXKLRHZNJLE-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA O=C(Cn1c(C(F)(F)F)nc2ccccc21)c1cccc([N+](=O)[O-])c1 233142 VQUWUVVBJJSASO-UHFFFAOYSA-N 349.268 3.846 5 50 EHBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 4802040 NJNUQBORAFGXJR-UHFFFAOYSA-N 348.742 3.580 5 50 EHBA Cc1cccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1C 55543339 QEYNPUMGHYJZKU-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 229571685 JGRWPLHDOMCWBB-IJLUTSLNSA-N 339.823 3.553 5 50 EHBA CSc1ccccc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 348812480 RYIWTLYWSFWOLQ-UHFFFAOYSA-N 330.409 3.518 5 50 EHBA CCc1cccc(CC)c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 620710 HYJCVFQGEGAQMS-UHFFFAOYSA-N 328.368 3.981 5 50 EHBA C[C@H](CCc1ccccc1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 4729758 ZWGSZJOTHVROSV-BEFAXECRSA-N 328.412 3.581 5 50 EHBA O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 454372 MKPUAQLUYGBXTH-UHFFFAOYSA-N 336.141 3.749 5 50 EHBA Cc1ccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 2982866 KFROFNUQUPQKGS-UHFFFAOYSA-N 330.409 3.566 5 50 EHBA O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(F)cc2)CC1 4980717 DLKZNSGJFAFTEJ-HWKANZROSA-N 341.386 3.569 5 50 EHBA CC(=O)C(C(C)=O)[C@@H](c1cccs1)[C@H](c1ccccc1)[N+](=O)[O-] 100406760 YIDKMPZNTMIPKC-SJORKVTESA-N 331.393 3.644 5 50 EHBA Cc1cc(Br)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 38495 YERXBYGQXDVGQM-UHFFFAOYSA-N 336.141 3.885 5 50 EHBA COc1cc(C(C)=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 73814 HXRYUSCCMFYTIU-UHFFFAOYSA-N 349.726 3.679 5 50 EHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 271892 RKWRGMIXDFJWGJ-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA O=[N+]([O-])c1ccccc1OCCCCOc1ccccc1[N+](=O)[O-] 2164713 UCELHKBWYHTDNR-UHFFFAOYSA-N 332.312 3.741 5 50 EHBA CCCCCc1nnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])s1 4814254 RQIFFZLRHCYQCB-UHFFFAOYSA-N 334.401 3.740 5 50 EHBA O=[N+]([O-])c1cccc([C@H](Nc2ccccn2)n2cnc3ccccc32)c1 19286475 GSXXRJAJCNMYEG-LJQANCHMSA-N 345.362 3.999 5 50 EHBA Cc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 60025 GHMCYASVFGRWAV-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCO2 5678210 RDKXVRQZZGCJOT-VXGBXAGGSA-N 345.738 3.963 5 50 EHBA CC[C@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O 35867456 GTIOUOABDNOUQH-LBPRGKRZSA-N 344.367 3.831 5 50 EHBA CC(C)c1nc(C2(NCc3cc(F)ccc3[N+](=O)[O-])CCCC2)no1 173703945 RFGHGCCURYDWQK-UHFFFAOYSA-N 348.378 3.799 5 50 EHBA COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 253390378 CLQKCDMPKLFWQF-SVANLYTISA-N 344.475 3.661 5 50 EHBA biogenic CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 102789 UUEUZTAYGDMJLM-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 102798 JSLVMIMWXJUPNC-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 2933292 QDIAFQVBZKCCIQ-UHFFFAOYSA-N 326.268 3.528 5 50 EHBA Cc1ccnc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1[N+](=O)[O-] 253428940 LYGCDYNTCRCVNM-HDJSIYSDSA-N 327.388 3.528 5 50 EHBA CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 612811 UDUAZOWRSKHYMB-CQSZACIVSA-N 329.381 3.744 5 50 EHBA O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1[N+](=O)[O-] 4628410 HIFFAEYPVZJEFV-UHFFFAOYSA-N 334.803 3.947 5 50 EHBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@H]2CCCO2)CC1 190266477 VHLYVNBPLIUOPL-MRXNPFEDSA-N 347.415 3.635 5 50 EHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCn2cccc2[C@@H]1c1ccccc1 1425408 OTVBQXYYDPSSDF-IBGZPJMESA-N 347.374 3.642 5 50 EHBA Cc1c(CNC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] 408332893 ZRKYYCUJYDSVID-YLQAJVPDSA-N 331.416 3.623 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 5032611 WMHFDTREBMQOCE-UXHICEINSA-N 343.471 3.824 5 50 EHBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccc(F)cc2)CC1 55543408 JXFKZUZTEUFNEE-UHFFFAOYSA-N 349.793 3.710 5 50 EHBA Cc1c(C(=O)NCCSCc2ccccc2)cccc1[N+](=O)[O-] 2980890 TWAYFDNOKZTGMF-UHFFFAOYSA-N 330.409 3.566 5 50 EHBA CC1(C)OC(=O)C(Cc2c3ccccc3cc3ccccc23)C(=O)O1 4530614 FEMLARJWKSPPHI-UHFFFAOYSA-N 334.371 3.988 5 50 EHBA Cc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] 453785 VEWUJONAHJYZDL-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 466884 CLLXUCKFMIPUFB-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN(c2ccccc2Cl)CC1 55543903 NSHBMXCUCKBXTP-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 3093838 IEQFYCMLNOIQJC-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA O=C(NCCc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 33171 YGFKKATUXMVCSZ-UHFFFAOYSA-N 339.351 3.545 5 50 EHBA biogenic,in-vitro O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2ccccc12 285177 HJSMVTXZZHXPPF-UHFFFAOYSA-N 336.303 3.699 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c3c(cccc13)CC2 570043 HRTJRMATTNPOSU-UHFFFAOYSA-N 348.358 3.864 5 50 EHBA O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccccc3F)CC2)c1 55543395 WXNKICHWHXDCQG-UHFFFAOYSA-N 349.793 3.710 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1SCCc2ccccc21 175071857 QRBXUYQUWFSOPF-INIZCTEOSA-N 344.392 3.573 5 50 EHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 55543384 JFXMJJVSQBAVLO-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA Cc1c(C(=O)Nc2ccc(N3CCCC3)cc2)cccc1[N+](=O)[O-] 570049 YIPJEXURNRZUIT-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA COc1cccc(OC)c1OCCCCOc1ccc([N+](=O)[O-])cc1 2937501 WUMFAUZNFNMAIW-UHFFFAOYSA-N 347.367 3.850 5 50 EHBA COc1ccc(NC(=O)/C=C/c2ccccc2Cl)c([N+](=O)[O-])c1 3960199 VDPWFUSQEUDJFO-RMKNXTFCSA-N 332.743 3.909 5 50 EHBA COc1ccc(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C 4699596 OGIKBJXTTWFYNA-UHFFFAOYSA-N 328.368 3.873 5 50 EHBA COc1ccc(CNc2ccc(Br)cc2)cc1[N+](=O)[O-] 135801 WYJARWFFJBACTJ-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA Cc1ccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 2983645 GLKUBWBRTWPURP-UHFFFAOYSA-N 344.436 3.875 5 50 EHBA CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 183643 XOHVEYTZWQLANN-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCC1 4542792 KPDWBIYGDMIREP-PKNBQFBNSA-N 326.352 3.927 5 50 EHBA Cc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4601299 ZIKZKQXTKQGECO-UHFFFAOYSA-N 328.412 3.849 5 50 EHBA O=[N+]([O-])c1ccc2nc(CSc3ncnc4ccccc34)[nH]c2c1 5729166 VYPOOMBZQRWMQH-UHFFFAOYSA-N 337.364 3.707 5 50 EHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2Cl)c([N+](=O)[O-])c1 104225883 UAQXECLUCCIJFV-UHFFFAOYSA-N 338.663 3.808 5 50 EHBA C[C@H](Sc1c([N+](=O)[O-])ncn1C)c1cccc(Br)c1 292348168 QMFYKSWTPSYMKE-QMMMGPOBSA-N 342.218 3.944 5 50 EHBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 1738743 FPWRPEFGPVSSDR-UHFFFAOYSA-N 335.703 3.717 5 50 EHBA Cc1cccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])c1C 725341976 DLHCXIAKLKPIBG-UHFFFAOYSA-N 331.284 3.562 5 50 EHBA CCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 1216699 NFTDZCIVNUEWHT-UHFFFAOYSA-N 327.340 3.504 5 50 EHBA O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 13563618 TZQCYQRWFUHDCS-GXDHUFHOSA-N 326.333 3.836 5 50 EHBA CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 155067701 XDKYVPFVFKDPMH-UHFFFAOYSA-N 335.319 3.598 5 50 EHBA COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 296418 LNVWZDYTMOFFEQ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4CCCC[C@H]4C3)n2)cc1 247310262 IFIICLFNJKGRAU-HIFRSBDPSA-N 342.399 3.657 5 50 EHBA Cc1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3086053 GZXPUQGCZVZJBZ-UHFFFAOYSA-N 334.263 3.595 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1ccc(Cl)cc1 39204 CPXRYCPQATWSTH-RMKNXTFCSA-N 330.771 3.620 5 50 EHBA C=Cc1ccc(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 253429508 SSXMAYUCGOQPAE-UHFFFAOYSA-N 335.363 3.692 5 50 EHBA Cc1cc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 182067 PUTQNEUUTXJHIT-UHFFFAOYSA-N 339.307 3.936 5 50 EHBA CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC 610149 BKELJGBCNJXFLV-UHFFFAOYSA-N 332.381 3.968 5 50 EHBA COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])c1 4868705 UWQIZRHPTBWWFL-UHFFFAOYSA-N 344.367 3.891 5 50 EHBA O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCCC[C@@H]3C(F)(F)F)nc2c1 124414306 RWUSNRXKSNUGNO-WDEREUQCSA-N 343.305 3.947 5 50 EHBA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 472089 KDWXXXYNXQPPIR-UHFFFAOYSA-N 347.758 3.849 5 50 EHBA COc1cccc(CCC(=O)Nc2ccccc2[N+](=O)[O-])c1Cl 4542815 GBMBOTQNTOXEAH-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA CN(C)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1 4759528 XRKXKDYKQIJYFG-UHFFFAOYSA-N 334.759 3.671 5 50 EHBA Cc1ccc(N2CCC[C@](O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 225649739 MYOOQOPGTLKJBW-LJQANCHMSA-N 326.396 3.781 5 50 EHBA O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2nc2n1CCCCC2 207032 APNBIGLPAIKUFN-UHFFFAOYSA-N 341.392 3.760 5 50 EHBA Cc1noc(C)c1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2872804 YRMWWJNCTAZAIH-UHFFFAOYSA-N 344.352 3.575 5 50 EHBA CC1(C)C(=O)O[C@H](c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1=O 459880 PMAIISAAALKIDD-CQSZACIVSA-N 331.368 3.739 5 50 EHBA COc1ccc(OC)c(-c2cc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3o2)c1 3618454 JTTOASTWENHQCS-UHFFFAOYSA-N 344.279 3.933 5 50 EHBA Cc1ccc(SCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2978605 WGISCVQGSITSAI-UHFFFAOYSA-N 330.409 3.734 5 50 EHBA CC(C)(C)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 303555 RCGADAINGJKKPA-UHFFFAOYSA-N 340.792 3.650 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 4696286 HXHJQXGTHRDBBQ-UHFFFAOYSA-N 341.367 3.750 5 50 EHBA Cc1ccc(-c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(O)n3n2)cc1 6556812 JISZUSXFSQHDHH-UHFFFAOYSA-N 346.346 3.986 5 50 EHBA O=C(CSc1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] 4093729 AGYMXPRRIGHLNE-UHFFFAOYSA-N 345.405 3.935 5 50 EHBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCO2 5678199 RDKXVRQZZGCJOT-NWDGAFQWSA-N 345.738 3.963 5 50 EHBA CCCCCC[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4557313 ZZIIAVVDXBHZOY-NSHDSACASA-N 344.389 3.636 5 50 EHBA COc1cc(Cl)c(C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 4833728 BJVSAMFUGCOQLK-UHFFFAOYSA-N 334.759 3.746 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 4902566 GYPARRBQFZLPPW-LLVKDONJSA-N 334.759 3.963 5 50 EHBA O=Cc1cn(-c2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 732217 JDHUDMBLPMXREV-UHFFFAOYSA-N 327.727 3.913 5 50 EHBA O=[N+]([O-])c1ccc(Cl)c(CN2CCN(Cc3ccccc3)CC2)c1 4990268 JHZFTJHTXXOVMY-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA CCOc1ccc2nc(SCn3cc([N+](=O)[O-])cn3)sc2c1 2784775 ONJPDZGHSIGACW-UHFFFAOYSA-N 336.398 3.550 5 50 EHBA Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 444858 WDAVZJPQNDFZAG-UHFFFAOYSA-N 325.324 3.841 5 50 EHBA O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2ccc3c(O)cccc3c2N1 4912922 XOFFELYSMRAXAC-OAHLLOKOSA-N 334.331 3.928 5 50 EHBA COc1ccc(NC(=S)Nc2cccc(C(C)=O)c2)c([N+](=O)[O-])c1 5041674 LNHAHZYUGPIYHU-UHFFFAOYSA-N 345.380 3.615 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Br 255438 ZVINVXBSLAIINJ-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=C(Cc1cccs1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4749983 QLMMCKZFQIJHTH-UHFFFAOYSA-N 345.405 3.961 5 50 EHBA Cc1c(C(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] 304653 YGZFJEKSLROESA-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C)c1C 433875 CDHWIICMWGVDEK-UHFFFAOYSA-N 348.380 3.620 5 50 EHBA COc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3)n2C)c1 4842105 UGVMIISALNNSCH-UHFFFAOYSA-N 342.380 3.550 5 50 EHBA O=C(O)CCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 264090 CGRVYDUXWURBKY-UHFFFAOYSA-N 346.364 3.549 5 50 EHBA COc1ccccc1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 461457 YPWWLUXKDKDCPF-UHFFFAOYSA-N 348.314 3.557 5 50 EHBA CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])cc1 2905101 IQFOQGATRUMCEF-UHFFFAOYSA-N 342.395 3.701 5 50 EHBA Cc1ncsc1-c1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1 888096091 SPSOEZIBFICETP-UHFFFAOYSA-N 343.412 3.681 5 50 EHBA C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 319230 MHQAZSJEAGSQIT-GFCCVEGCSA-N 332.787 3.999 5 50 EHBA Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 4819791 BOBJUXVBJMKTJR-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nc1 170024450 NHRNDQYJRLZPOX-AEFFLSMTSA-N 341.411 3.863 5 50 EHBA COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 2164816 LBJUCOHFHIVFAQ-HWKANZROSA-N 330.296 3.691 5 50 EHBA Cc1cc([N+](=O)[O-])cn(Cc2nc(C3CCCCC3)cs2)c1=O 277732197 YACPGFOPHBANFL-UHFFFAOYSA-N 333.413 3.617 5 50 EHBA O=C(O)[C@@H]1CCCC[C@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582271 HXOZFLYYEKBTMP-ZIAGYGMSSA-N 338.359 3.962 5 50 EHBA CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc([N+](=O)[O-])cc1 128344668 OZCRYSVJNHNXIL-UHFFFAOYSA-N 341.298 3.666 5 50 EHBA Cc1ccc([C@@H](C)Nc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] 267749067 XNAWYVUKWYEYIC-SECBINFHSA-N 326.278 3.885 5 50 EHBA O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983423 QLFOSFZWIIXMKK-UHFFFAOYSA-N 329.331 3.586 5 50 EHBA CCCC(C)(C)OC(=O)Nc1c(C(=O)OCC)cccc1[N+](=O)[O-] 263584070 JFNARDWNFAOEBF-UHFFFAOYSA-N 338.360 3.899 5 50 EHBA COc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 859195 DXBCXVDPAGMWJX-VQHVLOKHSA-N 332.743 3.909 5 50 EHBA O=c1oc2ccc(Cl)cc2cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4831773 WOOPUEOBCWUCKF-UHFFFAOYSA-N 346.682 3.930 5 50 EHBA O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccccc3)CC2)c1 55543390 MZUMYVKZBQNNNP-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1 613491 GBIKZSKZMDIUPH-AWEZNQCLSA-N 329.381 3.744 5 50 EHBA COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc1OC 613842 DFWKCVQMXPRNIA-UHFFFAOYSA-N 341.323 3.637 5 50 EHBA O=Cc1cn(-c2ccc(F)cc2F)nc1-c1ccc([N+](=O)[O-])cc1 732229 TXDWZSRAWFBMHN-UHFFFAOYSA-N 329.262 3.538 5 50 EHBA CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)c1ccccc1 2762303 KXZAIXLVUSMLJB-MRXNPFEDSA-N 327.336 3.722 5 50 EHBA CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 5065114 UIOJEUAKMXHHGB-UHFFFAOYSA-N 339.395 3.862 5 50 EHBA CCCCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 4814292 YVVYMAKIAKYKRN-UHFFFAOYSA-N 334.397 3.590 5 50 EHBA Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 2753095 JAJBIXPRAHGELP-UHFFFAOYSA-N 338.285 3.852 5 50 EHBA O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)C1CCCCC1 2847052 JTZUKPOEOFGVPB-UHFFFAOYSA-N 332.385 3.632 5 50 EHBA Cc1ccc(NC(=O)COc2c(C)ccc(C)c2C)c([N+](=O)[O-])c1 4043003 HEWXWQFNXXXQAH-UHFFFAOYSA-N 328.368 3.846 5 50 EHBA CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5000160 SMIBEIRLVGHCOM-LBPRGKRZSA-N 334.397 3.909 5 50 EHBA C[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)nc21 169983984 RNOMBRWJOMMWLN-UHFFFAOYSA-N 327.844 3.910 5 50 EHBA CCc1cc(C(=O)OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 370995 DFMKCLLVUMPTMS-UHFFFAOYSA-N 348.380 3.566 5 50 EHBA Cc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 436893 WLHGNMVADXOQGA-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA C[C@H](CCc1ccccc1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 1215303 ZWGSZJOTHVROSV-DNVCBOLYSA-N 328.412 3.581 5 50 EHBA COc1ccc(NC(=O)c2ccc(SC)cc2OC)c([N+](=O)[O-])c1 4675579 PUYSVKVXBGSSDI-UHFFFAOYSA-N 348.380 3.586 5 50 EHBA CC(C)(C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccs1 115014944 POBIWKRSVTUEBF-UHFFFAOYSA-N 326.324 3.851 5 50 EHBA O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 451867 DLVADARAIWWPLA-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 453470 UEPBRULJOMTJFS-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA CCOc1ccccc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] 5041420 OQHIWWWJDKZXQT-UHFFFAOYSA-N 335.360 3.942 5 50 EHBA CC(=O)C(C(C)=O)[C@H](c1cccs1)[C@@H](c1ccccc1)[N+](=O)[O-] 100406756 YIDKMPZNTMIPKC-DLBZAZTESA-N 331.393 3.644 5 50 EHBA COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC 184137 LEEFDBUYZXURGL-UHFFFAOYSA-N 344.367 3.790 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NCc1ccccc1Br 366786 SNKWVGARPFSCED-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](c2ccccn2)C1 225634024 LQEZNNABELLKIV-AWEZNQCLSA-N 340.383 3.628 5 50 EHBA Cc1ccccc1OCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4713185 UINQJWGNSANDKB-UHFFFAOYSA-N 341.411 3.994 5 50 EHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1 446913 RUWZXNJEPJDJKE-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 4892260 FKEFOSJSXZLUEC-HUUCEWRRSA-N 326.352 3.736 5 50 EHBA O=C(NCc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 468662 YCDDCEIKPJDXNN-UHFFFAOYSA-N 329.355 3.876 5 50 EHBA CCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccccc1[N+](=O)[O-] 316794 IJAGKKKATJMDTP-UHFFFAOYSA-N 349.726 3.679 5 50 EHBA Cc1c(NS(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 582492 ZXXQRVSULGVBQZ-UHFFFAOYSA-N 342.376 3.857 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c(cc1Cl)OCO2 133947641 CTEKQTVQXMWOIM-UHFFFAOYSA-N 334.715 3.538 5 50 EHBA Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 4996739 NNTGUFQIOMHZIP-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Cc1ccc([C@H](C)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] 170592770 DEBXNEBCPVFXPL-NPMABZOXSA-N 332.425 3.955 5 50 EHBA CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2156326 KLVKOTOSOWBSMY-UHFFFAOYSA-N 343.339 3.880 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(COc3ccccc3Cl)n2)c1 435954 BKDPXHHLWRWOKF-UHFFFAOYSA-N 331.715 3.877 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 5049190 DEAIJNRZWAMMKE-UHFFFAOYSA-N 325.368 3.837 5 50 EHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 104225750 GSRLJZRKZZUSPA-UHFFFAOYSA-N 338.663 3.808 5 50 EHBA Cc1ccc([C@H](C)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] 170592772 DEBXNEBCPVFXPL-ZAMGYDSWSA-N 332.425 3.955 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(C2CCCCC2)s1 476232 MZABITDJBJDMKU-UHFFFAOYSA-N 346.412 3.675 5 50 EHBA CCOC(=O)c1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1F 1753499 ZJZMMIMWDMYPPC-UHFFFAOYSA-N 347.302 3.555 5 50 EHBA Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1 3833461 MHZWFRKHSBWVKD-UHFFFAOYSA-N 334.397 3.629 5 50 EHBA C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 172754017 JBCWBYABGZJMSJ-LLVKDONJSA-N 334.322 3.635 5 50 EHBA O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12 63589 FTYJZVFPQSKQQE-UHFFFAOYSA-N 347.124 3.526 5 50 EHBA Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)n1 183526 XHXUWKBDJQUIQF-UHFFFAOYSA-N 330.343 3.902 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=C(c2ccc(Cl)cc2)C1=O 208372 WDAHGQKOUMKFKO-UHFFFAOYSA-N 342.738 3.513 5 50 EHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 609994 IPFRDGMABCEJFS-UHFFFAOYSA-N 338.335 3.745 5 50 EHBA O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 3895315 QTRPMNYWDTXBCK-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA O=C(c1csc([N+](=O)[O-])c1)N(Cc1ccsc1)c1cccnc1 193500967 ISSPLGBPOBQEAV-UHFFFAOYSA-N 345.405 3.960 5 50 EHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSC1CCCCC1 2813017 BEHLYEZRHSFWFU-DHZHZOJOSA-N 334.441 3.790 5 50 EHBA O=C1Nc2ccc(Br)cc2[C@@H]1Cc1cccc([N+](=O)[O-])c1 101015829 WZGHEUSFJZLQIM-ZDUSSCGKSA-N 347.168 3.636 5 50 EHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 4739954 KVFYLHIWYKOHQC-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Cl 4838169 WWQVKQMRIRLDHP-UHFFFAOYSA-N 348.742 3.596 5 50 EHBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1Cl 5094455 BDHVSTQWYVKZOH-QHHAFSJGSA-N 346.726 3.629 5 50 EHBA O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCC1 462050 SPBPGDKFLFKUFG-UHFFFAOYSA-N 328.393 3.982 5 50 EHBA CCc1[nH]nc(C(=O)OCc2c(Cl)cccc2Cl)c1[N+](=O)[O-] 170610723 ZRGSZYKNWCMCSA-UHFFFAOYSA-N 344.154 3.544 5 50 EHBA COc1ccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1OC 447551 JOTVAAJUSDAHTI-UHFFFAOYSA-N 341.323 3.637 5 50 EHBA COc1ccc(OCCOC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4799787 ZYZYZADCIAPUFP-UHFFFAOYSA-N 346.339 3.539 5 50 EHBA C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 307289 IWPUJCNISALKNJ-JTQLQIEISA-N 349.184 3.848 5 50 EHBA Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 456158 ZEBHYMZEBPZQFZ-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 5094484 JGVXSISYBQIXNX-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccn2)c(F)c1 301292300 ULBFHISUHSMFDI-UHFFFAOYSA-N 330.344 3.525 5 50 EHBA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 474362 JNTPKHQHNGEHCD-VIFPVBQESA-N 338.722 3.793 5 50 EHBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl 566974 YYCFQQNBDIISTI-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 1753778 UOPLFXFRTGRWBN-UHFFFAOYSA-N 328.328 3.506 5 50 EHBA O=C(Nc1ccccc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1802059 IFOZPBWVDULCRB-UHFFFAOYSA-N 341.352 3.757 5 50 EHBA CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 4892264 FKEFOSJSXZLUEC-CABCVRRESA-N 326.352 3.736 5 50 EHBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 462458 GBPGOIRFIDFGPU-UHFFFAOYSA-N 332.410 3.744 5 50 EHBA CCc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 572063 LROVMRFQZNPVHW-UHFFFAOYSA-N 327.336 3.505 5 50 EHBA Cc1ccc(C)c(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 55292398 ZYFHEMIYWLQASE-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 104234264 VFQGZQWXWOULDW-UHFFFAOYSA-N 332.272 3.772 5 50 EHBA C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]21 241470638 NWUJOMYKIVREAM-BVGQSLNGSA-N 346.427 3.862 5 50 EHBA Cc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] 2933007 KASGGPWCYHGTLH-UHFFFAOYSA-N 326.268 3.528 5 50 EHBA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccccc1[N+](=O)[O-] 269550 DEPWQIKXPWIFQD-CQSZACIVSA-N 331.368 3.739 5 50 EHBA COc1cc(C=O)ccc1OCCCCOc1ccccc1[N+](=O)[O-] 2984828 XPXRJGQKJIBJEJ-UHFFFAOYSA-N 345.351 3.654 5 50 EHBA O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1 113016043 AYYJKDQBPKCVRK-UHFFFAOYSA-N 341.298 3.570 5 50 EHBA O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(Cl)c1[N+](=O)[O-] 175720505 UAWNTBNXTUAKKV-UHFFFAOYSA-N 344.710 3.607 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)OCCOc1ccccc1 2156368 NFFNIGCACRMGTH-UHFFFAOYSA-N 336.731 3.876 5 50 EHBA O=C(OCC(=O)c1cccc2ccccc12)c1ccccc1[N+](=O)[O-] 461061 WRAAIDRNQXEGSU-UHFFFAOYSA-N 335.315 3.788 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ccccc2c1 582029 VVCGVXUEGRFEDV-UHFFFAOYSA-N 342.376 3.857 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1Cl 4774062 UKHXJKROJMGIKV-UHFFFAOYSA-N 327.127 3.941 5 50 EHBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc2c(c1)OCO2 5678195 RDKXVRQZZGCJOT-RYUDHWBXSA-N 345.738 3.963 5 50 EHBA Cc1c(NC(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-] 38394 UUHPNTORVDFWII-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl 471248 ZVYDVGZRVKDXFK-SNVBAGLBSA-N 334.759 3.999 5 50 EHBA Cc1cc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4799664 VRMCUJJWYBDAGT-UHFFFAOYSA-N 335.703 3.717 5 50 EHBA CCCCn1cc(C(=O)N[C@@H](C)c2ccc(F)c([N+](=O)[O-])c2)c(C)n1 1775999048 NCJUIMCIEGBHKX-NSHDSACASA-N 348.378 3.530 5 50 EHBA O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-] 98132 MYZWEQQMVCQEKH-UHFFFAOYSA-N 343.342 3.961 5 50 EHBA O=C1Nc2ccc(Br)cc2[C@H]1Cc1cccc([N+](=O)[O-])c1 4843204 WZGHEUSFJZLQIM-CYBMUJFWSA-N 347.168 3.636 5 50 EHBA Cc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 9009230 KRZRIUFVBRFAAZ-UHFFFAOYSA-N 342.380 3.510 5 50 EHBA O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 75622 LUSYQFIYRCOMDG-UHFFFAOYSA-N 336.278 3.688 5 50 EHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Br 466817 MZRIDPTXMAJBBI-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1c2ccccc2C[C@@H]1C 5041643 LWBOUTPRSIGQOO-NSHDSACASA-N 343.408 3.751 5 50 EHBA COc1ccc(Cc2cc(Br)c(N)c([N+](=O)[O-])c2)cc1 74937722 QZORVWPTRBWLPT-UHFFFAOYSA-N 337.173 3.539 5 50 EHBA in-vitro Cc1cnc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)s1 241588283 PBQNDJBXIAJDGS-CYBMUJFWSA-N 345.424 3.688 5 50 EHBA Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 474360 HSIZVWACQZCQAF-UHFFFAOYSA-N 349.184 3.847 5 50 EHBA aggregator CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 3957290 HQRCBSXXHDWQKJ-UHFFFAOYSA-N 328.368 3.910 5 50 EHBA CC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 303538 VCWBJORBASGMJD-UHFFFAOYSA-N 340.792 3.650 5 50 EHBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 103002 ICZNZVKLSQHGSH-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA C[C@](Cc1ccccc1)([N+](=O)[O-])[C@@](C)(Cc1ccccc1)[N+](=O)[O-] 2141646 OZEQJUXGNUYFFN-QZTJIDSGSA-N 328.368 3.543 5 50 EHBA O=C(Nc1cccc2nsnc12)c1ccc([N+](=O)[O-])cc1Cl 4742603 MUGVPWVYSVKFPH-UHFFFAOYSA-N 334.744 3.505 5 50 EHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 467159 DTANBZMUNHDIIU-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA O=[N+]([O-])c1c(Sc2nc3ccccc3o2)ccc2nsnc12 615476 NZIWRUNZFWPAFZ-UHFFFAOYSA-N 330.350 3.892 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(C)cc1 1910452 KLNKLSVMIGFDDN-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 4983869 VWYPDUNQFATOMM-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 283457 ODPRBCRNWSPWCD-UHFFFAOYSA-N 333.727 3.596 5 50 EHBA O=c1oc2ccccc2c(N2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] 4565436 CLODJGJLKYWWIT-CQSZACIVSA-N 336.347 3.695 5 50 EHBA CCOc1cc(CO)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 461262 ZRBCLXSEMBANPF-UHFFFAOYSA-N 337.759 3.718 5 50 EHBA CCC(C)(C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 1005736 XPMYMXWFNGHYRT-UHFFFAOYSA-N 334.401 3.695 5 50 EHBA COc1cc(SC)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 457090 ICLPXAQQYCUYKX-UHFFFAOYSA-N 332.381 3.886 5 50 EHBA CN1C(=O)c2c(sc3c2CCCC3)N[C@H]1c1ccc([N+](=O)[O-])cc1 460095 GICPPULCPKRWOB-OAHLLOKOSA-N 343.408 3.731 5 50 EHBA CCc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 317489 DFAYFDVUJGPWIC-UHFFFAOYSA-N 338.319 3.516 5 50 EHBA O=C(/N=c1/[nH]c2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl 1900274 RJVOSSOGDUDYNO-UHFFFAOYSA-N 333.756 3.532 5 50 EHBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)c1nc3c(ccc4ncccc43)nc12 4000331 HJEBEUGQKNPSKR-UXHICEINSA-N 333.391 3.592 5 50 EHBA biogenic COc1ccccc1NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 4749434 XQJUSJYGLQLJSZ-UHFFFAOYSA-N 341.411 3.680 5 50 EHBA C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 22055066 OGUCZBIQSYYWEF-UHFFFAOYSA-N 342.830 3.735 5 50 EHBA world COc1ccc(Cl)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 253432469 KNJCMHCRNJYJQC-JTQLQIEISA-N 334.759 3.999 5 50 EHBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1C 188533 VYMGESDVYHCXPR-UHFFFAOYSA-N 348.380 3.702 5 50 EHBA CC(/C=C1\N=C(c2ccccc2[N+](=O)[O-])OC1=O)=C\c1ccccc1 4844929 AYHOSTBPQXEEID-DXHZZVMKSA-N 334.331 3.886 5 50 EHBA CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 442276 GOVWMXVDAASGMJ-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] 476674 VNZCNTABXGCUTA-NSHDSACASA-N 334.759 3.963 5 50 EHBA CS[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 172369881 XRLONPXWDGKNAC-CQSZACIVSA-N 338.335 3.916 5 50 EHBA CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 102998 IQRROJKBHPSQBK-UHFFFAOYSA-N 348.742 3.677 5 50 EHBA C[C@@H](CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 23282865 RMHHGPJNRRDBLT-KRWDZBQOSA-N 339.439 3.738 5 50 EHBA O=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl 1396634 IIGKEKCZDUHBDW-UHFFFAOYSA-N 330.649 3.893 5 50 EHBA COc1ccc(NC(=O)CCSc2ccccc2)c([N+](=O)[O-])c1 4740512 LIYZFDUQRFGEPD-UHFFFAOYSA-N 332.381 3.724 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 351182 QLAWUQQHIACJNH-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C2CC2)cc1 124601347 BHMWFNUWKBFKNQ-LLVKDONJSA-N 330.340 3.642 5 50 EHBA CC(=O)Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 4832425 YMEADFBEIHCQJZ-UHFFFAOYSA-N 348.742 3.564 5 50 EHBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc2ccccc2c1 469530 WZXIZTIZSLWXGQ-UHFFFAOYSA-N 349.342 3.717 5 50 EHBA Cc1ccc(C)c(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 55292292 YXVNDNAUNNSTOX-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA O=C(Nc1ccc(Cl)cn1)Nc1ccc([N+](=O)[O-])cc1Cl 4793149 XTWIQWWEZCXIIY-UHFFFAOYSA-N 327.127 3.941 5 50 EHBA Cc1cnc([C@@H](C)OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 837960636 WGUPPSKLQQJHDV-MRVPVSSYSA-N 344.245 3.828 5 50 EHBA COc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1 189970 JKBSMCXROCXWPN-UHFFFAOYSA-N 327.292 3.811 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCCC1 466080 MJRKMNMXLDGPDD-ZHACJKMWSA-N 337.379 3.847 5 50 EHBA Cc1ccc(C(=O)NCc2ccc(-n3cccc3)cc2)cc1[N+](=O)[O-] 4708092 BKJGRWSEIJBKCZ-UHFFFAOYSA-N 335.363 3.624 5 50 EHBA Cc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] 4892103 YMSQCSWAMHDGSV-UHFFFAOYSA-N 328.412 3.849 5 50 EHBA Cc1cnc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 815512244 NBIHLSAKCJPCLJ-QMMMGPOBSA-N 344.245 3.828 5 50 EHBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1Cl 470244 GRWHVEIFIABUPA-UHFFFAOYSA-N 334.803 3.803 5 50 EHBA O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 4054407 HFDHJBJMACUQKU-UHFFFAOYSA-N 327.340 3.887 5 50 EHBA O=C(O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 194771451 OWDFUYDFENPKSQ-UHFFFAOYSA-N 342.332 3.760 5 50 EHBA O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(C(F)(F)F)s1 241946747 UNOSUPIWRNGTFV-UHFFFAOYSA-N 342.711 3.665 5 50 EHBA O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ncncc12 1875328909 RNIUZVHLSOCFGG-UHFFFAOYSA-N 344.374 3.531 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1cccc(Cl)c1 460634 OJIKMYXBQQKLTA-BQYQJAHWSA-N 330.771 3.620 5 50 EHBA CCN(CCOC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 1753413 ALIYJHVLWUPVLT-UHFFFAOYSA-N 343.383 3.978 5 50 EHBA O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3cccs3)cccc12 4980360 TUDIFXPKMUZBJB-UHFFFAOYSA-N 334.378 3.610 5 50 EHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 1230635 GQDWEYBJOJSJCO-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA Cc1cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 193602040 UTVTZPGEMBNSMY-SNVBAGLBSA-N 331.294 3.709 5 50 EHBA CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]2CCO[C@H]21 230221925 BJXVEENVLOXDSH-OASPWFOLSA-N 330.306 3.839 5 50 EHBA c1ccc2c(N3CC[N+]4(CC3)C[C@@H]3CCCC[C@H]3C4)nsc2c1 142844904 JSESYQAOCIUYJH-HOTGVXAUSA-N 328.505 3.753 5 50 EHBA COc1ccc(CNc2cccc(Br)c2[N+](=O)[O-])cc1 38537489 KAFGHCLAKBJYOB-UHFFFAOYSA-N 337.173 3.978 5 50 EHBA in-vitro COc1ccc(Cl)cc1Nc1ncnc2ccc([N+](=O)[O-])cc12 4118680 WQVNHWKTLCIEBZ-UHFFFAOYSA-N 330.731 3.944 5 50 EHBA COc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 613069 AWYGHUCNZYRTHY-UHFFFAOYSA-N 346.408 3.784 5 50 EHBA CCCC(=O)Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 613990 UDMRIFZWAQIFSC-UHFFFAOYSA-N 341.367 3.894 5 50 EHBA COc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 3958598 LTPIPPKZIWPQSU-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4020588 OEZYOXZAUKYBEC-FTMGESSISA-N 344.455 3.823 5 50 EHBA Cc1ccc(C(=O)NCCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 4119380 VMSFFPCMKXMRBM-UHFFFAOYSA-N 347.802 3.789 5 50 EHBA Cc1c(CNC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] 408332891 ZRKYYCUJYDSVID-NUTKFTJISA-N 331.416 3.623 5 50 EHBA CC(=O)SCCCCCCNc1ncc([N+](=O)[O-])cc1Cl 170619622 SNBGXLCJSPVHDX-UHFFFAOYSA-N 331.825 3.895 5 50 EHBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl 4583077 DZTVKLBNWUBDLX-UHFFFAOYSA-N 336.691 3.800 5 50 EHBA COc1ccc(C)cc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] 5041838 JAISEVMTGOXMEA-UHFFFAOYSA-N 335.360 3.860 5 50 EHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 282325 WOHGJPOODSNDRI-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA Cc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O 535312 BPAHELUFQXKRPY-UHFFFAOYSA-N 325.320 3.897 5 50 EHBA COC(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1 449781 NLTSZDDBSKKVGV-UHFFFAOYSA-N 342.351 3.757 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1Cl 5120001 JJEFIGHXHAFPQG-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 379020 YSWSUZCEBFYVND-UHFFFAOYSA-N 326.381 3.683 5 50 EHBA O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 5049753 VIYNOKBXKULTEU-UHFFFAOYSA-N 339.395 3.766 5 50 EHBA Cc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c(C)c1 22607839 JUDROXWDSPTRHS-UHFFFAOYSA-N 340.386 3.803 5 50 EHBA COc1ccc(NC(=O)c2scnc2C2CCCC2)c([N+](=O)[O-])c1 183823146 SFMLWSUSDVJCAU-UHFFFAOYSA-N 347.396 3.970 5 50 EHBA CC(C)n1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 280485133 OGXZXDMAZDNMQS-UHFFFAOYSA-N 342.277 3.643 5 50 EHBA COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N 36892 POZSDOMOSSHYLS-UHFFFAOYSA-N 340.426 3.926 5 50 EHBA O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 977987 SPTMNTGPAUPILC-GDNBJRDFSA-N 340.360 3.831 5 50 EHBA CCOc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 4750018 FDNBNZYDZNRSPO-UHFFFAOYSA-N 343.364 3.856 5 50 EHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCCC2 474122 NBZGDRBZWOJWMS-CMDGGOBGSA-N 329.381 3.582 5 50 EHBA Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccn1 302612090 AVLVCPNQIWUERA-UHFFFAOYSA-N 347.787 3.590 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 445636 WXVYJXBCGFWGOF-UHFFFAOYSA-N 345.830 3.566 5 50 EHBA Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 464780 KZOCPBJTCCQSNV-UHFFFAOYSA-N 338.407 3.998 5 50 EHBA CCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 570028 MAMFBFWTZVMJFI-UHFFFAOYSA-N 327.340 3.504 5 50 EHBA O=c1oc2ccccc2c2ccnc(NC[C@H]3Cc4ccccc4O3)c12 1776111744 OCVKZQADSZVITR-CQSZACIVSA-N 344.370 3.757 5 50 EHBA Cc1c(NC(=O)c2ccc(Br)s2)cccc1[N+](=O)[O-] 1053565 ITVBCNHMAFZPRM-UHFFFAOYSA-N 341.186 3.980 5 50 EHBA CC(=O)c1csc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 170603806 UYBDBNZUHLKZSE-UHFFFAOYSA-N 341.348 3.659 5 50 EHBA O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 121014 VOMWDFUEYYVHCD-UHFFFAOYSA-N 331.715 3.877 5 50 EHBA CC(C)CN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 237453 MFRRGLOGNPOZBE-UHFFFAOYSA-N 340.335 3.639 5 50 EHBA O=C(Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1 3195180 LVWVNNWHCFOOJW-UHFFFAOYSA-N 325.349 3.971 5 50 EHBA aggregator C[C@@](Cc1ccccc1)([N+](=O)[O-])[C@](C)(Cc1ccccc1)[N+](=O)[O-] 2141650 OZEQJUXGNUYFFN-ROUUACIJSA-N 328.368 3.543 5 50 EHBA COc1ccc(NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 4999048 CCUMHCXHJOZMHW-UHFFFAOYSA-N 347.396 3.729 5 50 EHBA O=C(Nc1ccc2ncsc2c1)c1cc(F)c(F)cc1[N+](=O)[O-] 170792979 HLASZYJYKFPMCW-UHFFFAOYSA-N 335.291 3.735 5 50 EHBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2ccccc2)CC1 55184998 LKKKMIXCWUVEJC-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc2ccccc12 567872 UZAUPSOVWRKZAD-UHFFFAOYSA-N 336.347 3.938 5 50 EHBA O=[N+]([O-])c1ccc2c(c1)Cc1cc(I)ccc1-2 1580965 HSJXILJMBUVJFU-UHFFFAOYSA-N 337.116 3.771 5 50 EHBA biogenic CCc1ccccc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O 22607810 MMOKUOOOPMXPCV-UHFFFAOYSA-N 340.386 3.749 5 50 EHBA CCOC(=O)[C@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C 46574 MIAQJSAYMJESEF-LBPRGKRZSA-N 326.348 3.585 5 50 EHBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(F)c(Cl)c1 5063807 DZSGQGPQAGOBRV-UHFFFAOYSA-N 341.751 3.513 5 50 EHBA O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCC[C@@H]3C(F)(F)F)nc2c1 124414524 RWUSNRXKSNUGNO-QWRGUYRKSA-N 343.305 3.947 5 50 EHBA O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2ccc3c(O)cccc3c2N1 4912920 XOFFELYSMRAXAC-HNNXBMFYSA-N 334.331 3.928 5 50 EHBA Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104230450 NBAGXTJDTLLBMR-UHFFFAOYSA-N 332.272 3.772 5 50 EHBA COc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1C1CC1 278365965 XNKPIXXAPVWHBL-UHFFFAOYSA-N 326.352 3.757 5 50 EHBA CC[C@H]1C[C@H](CC(=O)Nc2nccc3ccc([N+](=O)[O-])cc23)CCO1 863947331 XUPJYKZLTWPFDZ-DOMZBBRYSA-N 343.383 3.677 5 50 EHBA CC(C)(C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 3958587 CCOWHEKJUXSQRW-UHFFFAOYSA-N 328.368 3.910 5 50 EHBA Cn1ncc2c(-c3cccc(O)c3)c3oc4cc(O)ccc4c3nc21 253410681 NPDMMBNZGBGLDK-UHFFFAOYSA-N 331.331 3.946 5 50 EHBA biogenic CCn1c(S/C=C/c2ccc([N+](=O)[O-])o2)nnc1-c1ccncc1 253415829 FDNJKMDAVUSAOR-JXMROGBWSA-N 343.368 3.624 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc([C@H]2CCCOC2)cc1 253425643 KBTDRVCOIVHTTG-AWEZNQCLSA-N 344.342 3.880 5 50 EHBA O=c1oc2ccccc2c(Nc2cccc3cccnc23)c1[N+](=O)[O-] 13554874 FQFDMJBXZGBQDV-UHFFFAOYSA-N 333.303 3.993 5 50 EHBA O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2ccccc2C2CC2)c1 341464062 OYTUREHEMUGCFI-UHFFFAOYSA-N 331.393 3.587 5 50 EHBA O=[N+]([O-])c1ccc(-c2cc(O)n(-c3nc4ccccc4s3)n2)cc1 100580545 ZCEKCPVJFHSFDA-UHFFFAOYSA-N 338.348 3.763 5 50 EHBA COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 4582805 CGARFDQHGZWSFW-ONEGZZNKSA-N 330.296 3.691 5 50 EHBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCC1 4832477 JJFCNLZKIJEMSA-UHFFFAOYSA-N 328.393 3.982 5 50 EHBA CCOc1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 5173426 DJFHYGOMKAGVMZ-UHFFFAOYSA-N 343.364 3.856 5 50 EHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 472713 LXQLJEVWWJRDGG-UHFFFAOYSA-N 334.441 3.835 5 50 EHBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F 4842582 MXYOXVNNYHYAGX-UHFFFAOYSA-N 344.371 3.822 5 50 EHBA CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1ccc(-c2ccccn2)n1 253426742 ARSHPVUZUGSZIV-UHFFFAOYSA-N 338.367 3.689 5 50 EHBA CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 446114 VEKVNUVCSIOILO-UHFFFAOYSA-N 343.364 3.856 5 50 EHBA O=[N+]([O-])c1ccc(-c2nnc(Nc3ccccc3)s2)c([N+](=O)[O-])c1 2546697 UBHSRADCVLEIOV-UHFFFAOYSA-N 343.324 3.765 5 50 EHBA COc1ccc(-c2nc(N)sc2-c2ccc([N+](=O)[O-])cc2)cc1 48931 TWXMYMQMMHEOSL-UHFFFAOYSA-N 327.365 3.976 5 50 EHBA O=C(OCc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 461054 KLUVCXWYIOVXAN-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 613490 GBIKZSKZMDIUPH-CQSZACIVSA-N 329.381 3.744 5 50 EHBA C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 9009762 DENFATLPEALSAB-JTQLQIEISA-N 343.364 3.611 5 50 EHBA O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Br 444338 QMGCNIWMPOQLFP-UHFFFAOYSA-N 339.120 3.749 5 50 EHBA COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 4071170 JHYCOJZKXSCGHH-UHFFFAOYSA-N 330.384 3.758 5 50 EHBA Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 4843136 LAZXKCZJCXXKJT-UHFFFAOYSA-N 340.408 3.991 5 50 EHBA COc1ccc(NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 5041797 JADQGJCOVSIPPX-UHFFFAOYSA-N 347.396 3.729 5 50 EHBA CSc1ccc(Cl)c(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 170619872 PJSBLSWTASJJRN-UHFFFAOYSA-N 337.788 3.642 5 50 EHBA CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc2ncn(C(C)C)c2c1 952992562 OELBCSRTBIAERP-UHFFFAOYSA-N 342.403 3.662 5 50 EHBA CC(C)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2870821 OVRCVHAPRYMYGX-UHFFFAOYSA-N 343.339 3.554 5 50 EHBA CC(C)[C@@H]1N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC12CCC2 359206750 MPWMFTCVSULRCB-INIZCTEOSA-N 327.384 3.727 5 50 EHBA Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 301490 FCVFABVOYNATNN-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 355680 JEKHHKOGLHYYDT-UHFFFAOYSA-N 348.380 3.702 5 50 EHBA 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3.926 5 50 EHBA CC(C(=O)Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F 2282151 AFJAOHMCWANYRF-UHFFFAOYSA-N 330.184 3.664 5 50 EHBA biogenic COc1ccc(NC(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 4672993 SKKRGWJUQLGDEV-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C)cc(C)c21 20607281 RGDOROHMYBYNCO-UHFFFAOYSA-N 330.438 3.796 5 50 EHBA O=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 732218 XFMALEMAJOQTQH-UHFFFAOYSA-N 327.727 3.913 5 50 EHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1 2980874 BRGVWAIOLXJTJM-DHZHZOJOSA-N 342.420 3.658 5 50 EHBA COc1ccc(Nc2c(F)cc([N+](=O)[O-])cc2F)cc1NC(C)=O 301786324 LUEDBBJRLUZYAU-UHFFFAOYSA-N 337.282 3.584 5 50 EHBA CC(C)(C)c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 4703603 RASWJRZWKJGEKP-UHFFFAOYSA-N 341.411 3.734 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 162808220 NGWSKRQKGPCRDR-GFCCVEGCSA-N 346.412 3.771 5 50 EHBA CCN(CC)C(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C 118416 MSOWKGRJDUBQDJ-UHFFFAOYSA-N 339.391 3.502 5 50 EHBA COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4819804 AVNQSLACTCHNBM-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Br)cc1 255396 CGWFZXBCHIAJNY-UHFFFAOYSA-N 339.120 3.749 5 50 EHBA O=C(Nc1cccc(Cl)c1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 1385533 LIHHGKHLMZDBDT-UHFFFAOYSA-N 342.742 3.686 5 50 EHBA O=C1c2ccccc2[C@@]2(c3ccccc3)O[C@]12c1ccc([N+](=O)[O-])cc1 100287282 DGMNYJRIBYGLHN-NHCUHLMSSA-N 343.338 3.960 5 50 EHBA CCCC(=O)Nc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 461059 VMUPKUKFSYSBPT-UHFFFAOYSA-N 341.367 3.515 5 50 EHBA Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl 455313 VKPMPHROBQVESI-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Cc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1C 55543038 KWAKSLXDMNURNS-UHFFFAOYSA-N 325.412 3.534 5 50 EHBA Cn1nc(Oc2ccc([N+](=O)[O-])c(F)c2)c(Cl)c1C(F)(F)F 526056106 VUOHNSBRTAQNQW-UHFFFAOYSA-N 339.632 3.932 5 50 EHBA O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(-c2cccs2)o1 153525687 OXQHJRAUMWHTKA-UHFFFAOYSA-N 340.773 3.906 5 50 EHBA CC[C@@H]1C[C@@H](CC(=O)Nc2nccc3ccc([N+](=O)[O-])cc23)CCO1 863947333 XUPJYKZLTWPFDZ-SWLSCSKDSA-N 343.383 3.677 5 50 EHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br 457166 WWMDLEOLTMAVBI-UHFFFAOYSA-N 335.157 3.539 5 50 EHBA O=C(Nc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])o1 4776821 LFFNMDXNUSTYMM-UHFFFAOYSA-N 345.536 3.856 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(C)cc1 469744 QNPTZPMOAMKRNH-UHFFFAOYSA-N 332.381 3.643 5 50 EHBA CC(C)C(=O)Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 471884 FWVDIAOQAUQKAL-UHFFFAOYSA-N 342.351 3.546 5 50 EHBA COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1O 113237427 OTFCCVPKOQIVNF-UHFFFAOYSA-N 330.271 3.789 5 50 EHBA Cc1nn(CCC(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] 170621259 SWWRNQVOODZYGO-ARFHVFGLSA-N 349.431 3.700 5 50 EHBA Cn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 2846907 PKGBQEBAMKBHHP-UHFFFAOYSA-N 326.381 3.683 5 50 EHBA CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC 2884151 XHSNXJFDACIDPY-UHFFFAOYSA-N 341.323 3.719 5 50 EHBA Cn1c(SCc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1 221593 ATUKYTUUNSKGCR-UHFFFAOYSA-N 344.371 3.822 5 50 EHBA Cc1cccnc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 348659 IYIVIKSNJNRSQB-UHFFFAOYSA-N 330.343 3.902 5 50 EHBA Cc1ccc(C(=O)COC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 453436 HVFGEKMYYMVFQC-UHFFFAOYSA-N 333.727 3.596 5 50 EHBA Cc1ncoc1-c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 820933057 RLMHLCCXODZUQD-UHFFFAOYSA-N 328.309 3.823 5 50 EHBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1 276095 GPZCIHCUJAEOHB-UHFFFAOYSA-N 336.101 3.667 5 50 EHBA Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 5017663 HYSKIGJNRJKLAB-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 473606 VQHSFKGUMJLPIB-UHFFFAOYSA-N 337.788 3.836 5 50 EHBA O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2F)CC1 4981102 XAHSMVJSIPDKOG-FNORWQNLSA-N 341.386 3.569 5 50 EHBA COc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 187729 JLJNEMHKPQLNBX-UHFFFAOYSA-N 343.364 3.774 5 50 EHBA Cc1ccc(C)c(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])c1 4116731 BFHFSDHYIWOVPZ-UHFFFAOYSA-N 327.344 3.557 5 50 EHBA CCOC(=O)c1cc(C)sc1NC(=O)c1cccc([N+](=O)[O-])c1C 371355 KHIZBCOAJQRUPS-UHFFFAOYSA-N 348.380 3.702 5 50 EHBA Cc1ccc(N2C(=N)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 4795914 MGLSVAMNEORJTD-UHFFFAOYSA-N 340.364 3.654 5 50 EHBA COc1ccc(C(=O)NCc2cccc3ccccc23)cc1[N+](=O)[O-] 36029 LKYCSTQAVDGPES-UHFFFAOYSA-N 336.347 3.687 5 50 EHBA biogenic O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] 461803 OMCDZHSSTPHTSE-UHFFFAOYSA-N 337.788 3.836 5 50 EHBA Cc1cccc2c1CN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 430356365 NBQVWHYRZQXTID-UHFFFAOYSA-N 335.363 3.583 5 50 EHBA Cc1ccc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 1386987 GAFPDOQWSMWQST-UHFFFAOYSA-N 328.393 3.947 5 50 EHBA O=C(O[C@H]1C[C@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 1384380913 ZUMRTMZYWBVEBP-RZDIXWSQSA-N 341.363 3.747 5 50 EHBA CCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1782785 QUOWIDUMJLSPMI-UHFFFAOYSA-N 342.351 3.804 5 50 EHBA O=C(O)c1c(F)c(F)c(Oc2ccc([N+](=O)[O-])cc2)c(F)c1F 4772899 JFUPKMUVMNKQBK-UHFFFAOYSA-N 331.177 3.642 5 50 EHBA CC(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 2879320 SAVFDYDZLKIOHC-UHFFFAOYSA-N 344.392 3.669 5 50 EHBA O=[N+]([O-])c1cccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)c1 3672348 GFNDEPQFPLRONO-MRXNPFEDSA-N 337.404 3.882 5 50 EHBA Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 4904494 BLFXAHAWDNPTEC-LLVKDONJSA-N 334.759 3.963 5 50 EHBA CSc1ccccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 4593343 LGEJCQDNVVZDLO-UHFFFAOYSA-N 348.428 3.549 5 50 EHBA CC(C)c1ccc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2897321 ZYZMORLKVZPEMC-UHFFFAOYSA-N 344.323 3.983 5 50 EHBA C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 3189123 BOAXHUFLNOCEAZ-ZDUSSCGKSA-N 337.335 3.991 5 50 EHBA C[C@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccccc1 4104315 JNJQPGQRNYZXRG-AWEZNQCLSA-N 327.384 3.605 5 50 EHBA COc1ccccc1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17072632 LCITUVIGRQIHJP-UHFFFAOYSA-N 349.774 3.621 5 50 EHBA NC(=O)c1ccc(CNc2cccc3ccsc23)c([N+](=O)[O-])c1 408513630 IXNBMCXIVQJEGX-UHFFFAOYSA-N 327.365 3.521 5 50 EHBA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 131220 XGPBFPJKFFRLAM-UHFFFAOYSA-N 325.368 3.837 5 50 EHBA COc1cc(C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 445284 CMKPIFHIIXBFRJ-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 572106 BNNSIVCPYGPHEG-UHFFFAOYSA-N 327.336 3.560 5 50 EHBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 5598870 GGCYZJYAWBAKKG-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C(C)C)ncc1Cl 120652998 CGZIJEHOGQYDEZ-UHFFFAOYSA-N 334.763 3.722 5 50 EHBA Cc1cc(C)c(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 458665 JNSXZUIOVZXQDB-UHFFFAOYSA-N 328.368 3.846 5 50 EHBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4990049 BEKRJYWZGVPKCV-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)o1 3897748 UVRQNQBPDVMWDZ-UHFFFAOYSA-N 345.536 3.856 5 50 EHBA CCC(C)(C)c1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 372862 YLUWQTKQKJDALR-UHFFFAOYSA-N 334.401 3.695 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 5032615 VMVFYBOTXPMUBU-UXHICEINSA-N 343.471 3.824 5 50 EHBA COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 253390377 CLQKCDMPKLFWQF-IBMXMCEKSA-N 344.475 3.661 5 50 EHBA biogenic CC(=O)c1ccc(N2CCC[C@H]2c2csc(C)n2)c([N+](=O)[O-])c1 302399962 JUGABKUFQVZNOX-AWEZNQCLSA-N 331.397 3.904 5 50 EHBA Cc1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]c1C 1303605785 KQFZWIQOLLDELJ-CQSZACIVSA-N 348.790 3.565 5 50 EHBA Cn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 422887 LADQTYUPEINOCO-UHFFFAOYSA-N 340.408 3.606 5 50 EHBA CCN(CC)C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4491879 PZKUSJLTKDVNCX-SFHVURJKSA-N 342.395 3.835 5 50 EHBA CC(=O)c1csc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 176704170 UKWBBFVHEYHHHI-UHFFFAOYSA-N 341.348 3.659 5 50 EHBA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CC1 255189794 SBXOFLUZOJPYBP-SHTZXODSSA-N 349.431 3.520 5 50 EHBA O=C(/C=C/c1cccs1)Nc1nc2ccc([N+](=O)[O-])cc2s1 375720 ZPCXXNDYTFEBNC-GQCTYLIASA-N 331.378 3.918 5 50 EHBA Cc1ccc(NC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] 475503 BBQCECDRSDOUCB-UHFFFAOYSA-N 325.118 3.511 5 50 EHBA Cc1cc(C)n(-c2cc(N3CCc4ccccc4C3)ccc2[N+](=O)[O-])n1 4117518 PNNJMGGZMFGNDB-UHFFFAOYSA-N 348.406 3.960 5 50 EHBA in-vitro Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 4902568 GYPARRBQFZLPPW-NSHDSACASA-N 334.759 3.963 5 50 EHBA Cc1cnc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)s1 241588284 PBQNDJBXIAJDGS-ZDUSSCGKSA-N 345.424 3.688 5 50 EHBA COc1cccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 4856932 NOXHEUOUKDQAHO-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccccc2)CC1 55543492 CZWJDYLLKSPBKX-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA COc1ccccc1N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 4117527 WKIRAWZPYNWBAT-UHFFFAOYSA-N 347.802 3.583 5 50 EHBA CCCOC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C 2980394 DCPOMJKUQINBQH-UHFFFAOYSA-N 326.348 3.587 5 50 EHBA Cc1ccc(Cl)cc1NC(=O)n1ncc2ccc([N+](=O)[O-])cc21 3091313 ISHVIYZPGQTJIZ-UHFFFAOYSA-N 330.731 3.987 5 50 EHBA O=C1Nc2ccc(Br)cc2[C@H]1Cc1ccc([N+](=O)[O-])cc1 4870322 ZGEHUYODCJIRMD-CYBMUJFWSA-N 347.168 3.636 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc2c(c1)CCC2 5042079 PVNNDDWWSZTBDA-UHFFFAOYSA-N 343.408 3.901 5 50 EHBA CC[C@](C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C)cs1 151168701 IAELSCKKIWJCJS-HNNXBMFYSA-N 337.376 3.554 5 50 EHBA O=C(NCc1ccsc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 240912268 IWZPFZHEFHYOKL-UHFFFAOYSA-N 339.376 3.648 5 50 EHBA O=[N+]([O-])c1ccc(CSc2nc(O)cc(C(F)(F)F)n2)c(F)c1 170650904 ZRKHLCDBJHZJBK-UHFFFAOYSA-N 349.265 3.541 5 50 EHBA Cc1ccccc1N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 278071 IRHUKIJIEBPNJD-RMKNXTFCSA-N 337.423 3.739 5 50 EHBA Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 5094140 AIWCIXPGIBYHGW-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 193384548 NYJYBFSVESLVPC-GFCCVEGCSA-N 338.367 3.702 5 50 EHBA Cc1c(F)c(Br)c([N+](=O)[O-])c(F)c1Br 1772572482 PBAKMHZMYBBQKN-UHFFFAOYSA-N 330.910 3.706 5 50 EHBA CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1N1CCCCC1 168563 ODSFCUUITDXKJO-UHFFFAOYSA-N 343.383 3.757 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(SC)cc1OC 337792 HEGJRQZQCRSCPL-UHFFFAOYSA-N 348.380 3.586 5 50 EHBA COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 4699110 XNRKTJVXWZVYHT-UHFFFAOYSA-N 344.367 3.744 5 50 EHBA Cc1noc(/C=C/c2ccc(F)c(Br)c2)c1[N+](=O)[O-] 4771054 SRGGYWGAECSOBG-HWKANZROSA-N 327.109 3.963 5 50 EHBA COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 4892995 GKMWSUKNHAWFDM-RMKNXTFCSA-N 342.351 3.572 5 50 EHBA Cc1ccc([S@](C)(=O)=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 104199804 JGDBHKWXBSELDS-QHCPKHFHSA-N 335.341 3.600 5 50 EHBA Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C 88003 PQLQFAXGSVMKDA-UHFFFAOYSA-N 325.324 3.841 5 50 EHBA Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccccc4o3)C2)c1 193384557 NYJYBFSVESLVPC-LBPRGKRZSA-N 338.367 3.702 5 50 EHBA O=C(Oc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2187402 WYKPSINHJUWDHK-UHFFFAOYSA-N 338.275 3.875 5 50 EHBA in-vitro CC(C)N(CC(F)F)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 151252717 OLNSWDRHEHLEHM-UHFFFAOYSA-N 340.248 3.729 5 50 EHBA COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl 471247 ZVYDVGZRVKDXFK-JTQLQIEISA-N 334.759 3.999 5 50 EHBA O=[N+]([O-])c1cccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)c1 3672347 GFNDEPQFPLRONO-INIZCTEOSA-N 337.404 3.882 5 50 EHBA Cc1c(CN2c3ccccc3NC(=O)C2(C)C)cccc1[N+](=O)[O-] 170611120 PMJSZFILUPTYOF-UHFFFAOYSA-N 325.368 3.641 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccccc1Cl 63536 PFOVWHYDQRIGTA-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA COc1ccc2c(c1)c(=O)oc1cc(OC(=O)c3ccco3)ccc12 317440 FYZNAUPIEQOVIN-UHFFFAOYSA-N 336.299 3.767 5 50 EHBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 5050848 XKERFMALTBEROZ-UHFFFAOYSA-N 331.416 3.648 5 50 EHBA Cc1ccccc1Nc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)N=2 100385288 YAMRRJLJTCEUOF-UHFFFAOYSA-N 336.395 3.560 5 50 EHBA COc1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 457474 VMJHGXJLEWKPDP-UHFFFAOYSA-N 329.355 3.513 5 50 EHBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 4611713 JAEREXOWIDQUQK-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA COc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 5041535 JIKSXOBPAIVWFT-UHFFFAOYSA-N 347.396 3.729 5 50 EHBA CC(=O)c1cc(N2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] 241383282 MTXYNOGFTLFREA-SFHVURJKSA-N 344.342 3.514 5 50 EHBA O=[N+]([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Cc1ccccc1 6927477 JFZACJHNBXTAOP-UHFFFAOYSA-N 345.298 3.588 5 50 EHBA O=C(OCc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 149212 WIDLFJKNRPKUHR-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA COc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 265784 CEMUARYRPBHKGX-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 286381754 SPIUHCDDVAFPPP-MRXNPFEDSA-N 342.399 3.973 5 50 EHBA O=C(CSc1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 124948 HPRSRENRFNXSPQ-UHFFFAOYSA-N 345.405 3.935 5 50 EHBA O=[N+]([O-])c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 612319 LYOYGTDQLISWPR-INIZCTEOSA-N 327.409 3.959 5 50 EHBA COc1cccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl 4542813 FTAPYPJOEMTEDO-UHFFFAOYSA-N 334.759 3.828 5 50 EHBA O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 4983269 YOEIRJNVSPWCAK-UHFFFAOYSA-N 348.362 3.854 5 50 EHBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(C)cc(=O)oc2c1 302014 WOLAIOPJFZUXHO-UHFFFAOYSA-N 341.319 3.597 5 50 EHBA O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 452564 ATCAIIHJMKPJOO-UHFFFAOYSA-N 325.151 3.832 5 50 EHBA CCOc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 1290531 OLVOSMXQERWMPQ-UHFFFAOYSA-N 346.408 3.865 5 50 EHBA Cc1cnc([C@H](C)OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 837960638 WGUPPSKLQQJHDV-QMMMGPOBSA-N 344.245 3.828 5 50 EHBA Cc1oc2c(C)c(O)ccc2c(=O)c1Oc1ccc([N+](=O)[O-])cc1 6796024 YTJVMWKGFSCDSI-UHFFFAOYSA-N 327.292 3.816 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3Cl)CC2)s1 19537145 OCZBGCACIPYYND-UHFFFAOYSA-N 337.832 3.632 5 50 EHBA O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 168288 JGUSYPCMGUFLIW-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA COc1ccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3)n2)cc1 471581 HTQBMZWGKPQSHW-NSHDSACASA-N 325.324 3.805 5 50 EHBA O=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccc([N+](=O)[O-])cc1 101016717 ZGEHUYODCJIRMD-ZDUSSCGKSA-N 347.168 3.636 5 50 EHBA O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccn1 47033 VJWLOBJMCLNKRW-UHFFFAOYSA-N 333.347 3.837 5 50 EHBA O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc(F)c1 296582 KLTKKWBUIBXNGW-AUWJEWJLSA-N 346.701 3.732 5 50 EHBA CCOC(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 612021 KGXHULXHLGLZQB-UHFFFAOYSA-N 343.339 3.724 5 50 EHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1ccccc1 2900242 OXGRXVKBUVWTHY-SECBINFHSA-N 349.730 3.647 5 50 EHBA C[C@H]1C[C@@H](C)CN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 4745705 BIEOANCICWLMHB-IYBDPMFKSA-N 331.460 3.537 5 50 EHBA O=[N+]([O-])c1cc(Br)cc(NCc2nccn2C(F)F)c1 253415882 PJBPWCPEYFLCBH-UHFFFAOYSA-N 347.119 3.561 5 50 EHBA Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 450411 QPFKVSYRFANUNL-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 452322 BNSOUKGLSUMJDD-RUDMXATFSA-N 332.743 3.909 5 50 EHBA COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 463264 OGAUDJUFEGIDQU-CSKARUKUSA-N 342.351 3.572 5 50 EHBA O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCC1 175968318 HPASGDZYDOGXCB-UHFFFAOYSA-N 336.697 3.805 5 50 EHBA CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 372851 BERKVFMNCNMUJI-UHFFFAOYSA-N 334.401 3.695 5 50 EHBA Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 452952 QIHHOACPIKBBAD-UHFFFAOYSA-N 340.364 3.674 5 50 EHBA Cc1nc2ccc(C(=O)OCCc3ccccc3[N+](=O)[O-])cc2s1 225470899 CFBCDXOFWJWEEP-UHFFFAOYSA-N 342.376 3.912 5 50 EHBA CCSc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 314354 RHPASRHQKZPRJN-UHFFFAOYSA-N 332.381 3.968 5 50 EHBA O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 55292158 SXPBRPIUQLOECO-UHFFFAOYSA-N 349.793 3.710 5 50 EHBA COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1 90609740 ZFOMCSNUEHMROO-UHFFFAOYSA-N 328.437 3.846 5 50 EHBA O=[N+]([O-])c1ccc(-n2cccc2/C=C2/SC(=S)N=C2O)cc1 1216568 URVIRCVXYRWMIM-XYOKQWHBSA-N 331.378 3.715 5 50 EHBA O=[N+]([O-])c1cc(/C=C2\SC(=S)N=C2O)ccc1Br 16384252 QLKLHOYVUBQMIE-YWEYNIOJSA-N 345.199 3.686 5 50 EHBA O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc12 17058723 UJZBODXHALYCKB-UHFFFAOYSA-N 333.303 3.758 5 50 EHBA Cc1nnc(SCc2ccc(Br)c([N+](=O)[O-])c2)s1 159464796 AWOASOVSDAYLHR-UHFFFAOYSA-N 346.231 3.810 5 50 EHBA Cc1cc(OCC(=O)Nc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] 1053745 PPTSQQRADMTDLW-UHFFFAOYSA-N 349.412 3.675 5 50 EHBA N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)S1 5092383 OMUGXVVGYLHLMY-SDQBBNPISA-N 349.755 3.647 5 50 EHBA COc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 13880552 IKECBXTZUILMSE-SOFGYWHQSA-N 332.743 3.909 5 50 EHBA CC(=O)c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 91043 PIJGWRHAOOTLBB-UHFFFAOYSA-N 330.365 3.528 5 50 EHBA CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc2ccc(F)cc2c1 179493367 UTSOIRUQBTYNKQ-UHFFFAOYSA-N 339.326 3.554 5 50 EHBA O=c1c2c3c(sc2nc2c4ccccc4c(Cl)nn12)CCCC3 87552 LEAKHMVYHBRCTD-UHFFFAOYSA-N 341.823 3.990 5 50 EHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 4845496 OFDQHKLIWUWMGK-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c(C)c1 105730 GZVYQMVYSDJXSL-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 442174 YWWQRODAMHONDT-UHFFFAOYSA-N 326.230 3.746 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccccc1 4740515 WOAHOUKUZPSUFD-UHFFFAOYSA-N 332.381 3.724 5 50 EHBA O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCC[C@H]3C(F)(F)F)nc2c1 124414957 RWUSNRXKSNUGNO-MNOVXSKESA-N 343.305 3.947 5 50 EHBA O=C(OCC1=CCCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 45070352 XTUZLWLWMFSQRI-UHFFFAOYSA-N 334.328 3.940 5 50 EHBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc3ccccc23)cc1 1875253676 REYNFJFAXRQQPO-UHFFFAOYSA-N 329.333 3.516 5 50 EHBA CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 444598 FHDXMTSCPYVEGK-UHFFFAOYSA-N 341.367 3.894 5 50 EHBA O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccccc1 4381583 MGLJZBJOLNZPGC-UHFFFAOYSA-N 332.315 3.544 5 50 EHBA COCCCNc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 5068964 KLTFMWSWMJPCTM-UHFFFAOYSA-N 343.383 3.604 5 50 EHBA COc1ccc(Cn2c(SC)nc3ccccc32)cc1[N+](=O)[O-] 615873 IKDLPSZYPVLMQU-UHFFFAOYSA-N 329.381 3.723 5 50 EHBA Cc1ccccc1Nc1cc(N2CCCC2)c2nonc2c1[N+](=O)[O-] 4116746 VHEDXXMMKCVEIA-UHFFFAOYSA-N 339.355 3.783 5 50 EHBA CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 149157 PDLCSOMRTOYDPS-UHFFFAOYSA-N 348.380 3.648 5 50 EHBA Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4825300 AGMJEFZURLSJAF-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4701822 PXNRZBLKYRXUJV-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 305882 SCFGWOMGTWPYMT-SNVBAGLBSA-N 349.184 3.848 5 50 EHBA O=[N+]([O-])c1cccc(-c2nc(O)nc3ccc(Br)cc23)c1 435754 FIYRWWNMGXINNT-UHFFFAOYSA-N 346.140 3.673 5 50 EHBA O=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 453593 LRNSIEZONVUPSE-UHFFFAOYSA-N 336.141 3.749 5 50 EHBA Cc1c([N+](=O)[O-])c(C(=O)N(C2CCCCC2)C2CCCCC2)nn1C 2777870 MIFVIGQQRYOZST-UHFFFAOYSA-N 348.447 3.744 5 50 EHBA COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 253390423 HXWREKZJCQRPNT-SMHFEWCJSA-N 344.475 3.661 5 50 EHBA biogenic Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 5090918 DGSMJPISZGIEHK-UHFFFAOYSA-N 342.376 3.857 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C(C)(C)C)on1 17068743 CSNCINNNDFJKKD-UHFFFAOYSA-N 334.332 3.533 5 50 EHBA Cc1cc([N+](=O)[O-])cn(Cc2csc(C3CCCCC3)n2)c1=O 155829491 DRULNIBZLGVXCP-UHFFFAOYSA-N 333.413 3.617 5 50 EHBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 4657029 KUISYYFLAWATCI-UHFFFAOYSA-N 335.157 3.918 5 50 EHBA C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 9009763 DENFATLPEALSAB-SNVBAGLBSA-N 343.364 3.611 5 50 EHBA Cc1cccc(C)c1NC(=O)CNc1c(F)cc([N+](=O)[O-])cc1F 301757581 ADRPSHVUQYWSDH-UHFFFAOYSA-N 335.310 3.540 5 50 EHBA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 129748 JIMDIHBYRKKRCS-NSHDSACASA-N 334.759 3.963 5 50 EHBA COc1ccc(OC)c(NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1 611561 GBYHZGVODZMNFU-UHFFFAOYSA-N 347.396 3.729 5 50 EHBA CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1cc(C)cc(C)n1 16400444 OMYIABCHZNTHEE-OAHLLOKOSA-N 343.383 3.711 5 50 EHBA COc1cccc(C(=O)N2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] 347351085 MWIJNWUWURCNPR-UHFFFAOYSA-N 338.363 3.533 5 50 EHBA CCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 444493 HMSOHJNOQHVUQD-UHFFFAOYSA-N 347.758 3.849 5 50 EHBA Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 4846684 IMLNGNGJTBSACF-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA CCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 55292391 OAQJIHPSQGXQRN-UHFFFAOYSA-N 330.384 3.634 5 50 EHBA C[C@@](Cc1ccccc1)([N+](=O)[O-])[C@@](C)(Cc1ccccc1)[N+](=O)[O-] 2141647 OZEQJUXGNUYFFN-HDICACEKSA-N 328.368 3.543 5 50 EHBA CCC(CC)c1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 2734975 ZFDPDTYYTXVAAV-UHFFFAOYSA-N 334.401 3.911 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccs1 5049864 VRRWAIMWZGEZBJ-UHFFFAOYSA-N 331.397 3.899 5 50 EHBA O=[N+]([O-])c1cccc(F)c1CN(C[C@@H]1CCOC1)c1ccccc1 170621227 COQYMMSEGHNPAB-AWEZNQCLSA-N 330.359 3.777 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccc(Cl)cc1 5041606 YTKWQYXCOMWNIY-UHFFFAOYSA-N 349.774 3.621 5 50 EHBA COc1ccc(Cl)cc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 530738 CXUWMRURJVXZFV-UHFFFAOYSA-N 331.715 3.974 5 50 EHBA Cc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] 149025 SBMLZTVIFFOYOV-UHFFFAOYSA-N 339.303 3.537 5 50 EHBA CC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 304098 DHEMLZGEEHFFKH-UHFFFAOYSA-N 332.331 3.875 5 50 EHBA COc1cc2cc3c4c(cc5c(c4c2cc1OC)OCO5)CCN3C 13434316 HIZKFQOZVOUKDP-UHFFFAOYSA-N 337.375 3.731 5 50 EHBA biogenic,in-vitro COc1ccc(O[C@@H](C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 514468 WCPVEJZBJQIFMC-NSHDSACASA-N 341.323 3.793 5 50 EHBA Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1C 454426 BKLKRBYLYQUMOL-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2520604 CECWKZSJJOIKOU-UHFFFAOYSA-N 348.742 3.662 5 50 EHBA CCc1c(C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)OC 433829 QICGANFGZAQGFR-UHFFFAOYSA-N 348.380 3.566 5 50 EHBA CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 1007614 LGLFDVSNBUEAJW-ZROIWOOFSA-N 344.348 3.911 5 50 EHBA Cc1c(C(=O)Nc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] 2830696 FQDBHGFATNNBOW-UHFFFAOYSA-N 325.368 3.756 5 50 EHBA O=C(CCN1C[C@H]2CCCCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 230126672 CYTJZALDUBAMOV-RHSMWYFYSA-N 331.416 3.578 5 50 EHBA Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 469674 KFTDFVRIWMYECN-UHFFFAOYSA-N 344.371 3.915 5 50 EHBA Cc1ccccc1CSCCNC(=O)c1cccc([N+](=O)[O-])c1C 2815674 WRGDXGYRJXVBPD-UHFFFAOYSA-N 344.436 3.875 5 50 EHBA Cc1c2ccccc2nc2c(F)c(N3CCN(C)CC3)c(F)c(F)c12 4168853 HUWSKUKVSSSWGK-UHFFFAOYSA-N 345.368 3.866 5 50 EHBA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cn1 4863743 JPHOWVYZDCNXKZ-UHFFFAOYSA-N 326.234 3.653 5 50 EHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)OCC(Cl)(Cl)Cl 2172813 XNSOFJJBBPEBMA-UHFFFAOYSA-N 331.514 3.653 5 50 EHBA COc1c(C(=O)N(C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] 408515326 VZCLHHKSNMWDIZ-UHFFFAOYSA-N 344.367 3.667 5 50 EHBA COc1ccc(Cc2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 87913 OQCJTPAIDWJUHT-UHFFFAOYSA-N 325.324 3.553 5 50 EHBA C[C@H](CCc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 610767 NKYBUQQPAOIBNA-CYBMUJFWSA-N 329.425 3.903 5 50 EHBA CSc1nc(Oc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 1386984 JBOSAFNYJMNBIW-UHFFFAOYSA-N 331.275 3.918 5 50 EHBA O=C(O)[C@@H]1CC=CC[C@H]1c1c2ccc(=O)cc-2oc2cc(O)ccc12 4582275 FLDZRODHZDNSHW-ZIAGYGMSSA-N 336.343 3.738 5 50 EHBA CN(C)Cc1c(OC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 55027880 XHDSFNHABPBCLB-UHFFFAOYSA-N 334.759 3.529 5 50 EHBA CC(C)(C)c1ccc(C(=O)NC[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] 170651158 HLLJEOSFIAQYTD-HNNXBMFYSA-N 338.407 3.962 5 50 EHBA OCCN1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1 19633684 MDLYISKQZVAPLL-UHFFFAOYSA-N 344.458 3.694 5 50 EHBA O=[N+]([O-])c1cc(Br)c2ncc(Br)cc2c1 95670863 IPAXEFNOGMMLJV-UHFFFAOYSA-N 331.951 3.668 5 50 EHBA C[C@@H](Sc1c([N+](=O)[O-])ncn1C)c1cccc(Br)c1 292348165 QMFYKSWTPSYMKE-MRVPVSSYSA-N 342.218 3.944 5 50 EHBA COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 453073 IVPUSIRKUBVRSA-UHFFFAOYSA-N 336.731 3.518 5 50 EHBA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 1068585 CVSWNQMDVISKQE-LLVKDONJSA-N 336.779 3.570 5 50 EHBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc(Cl)cc1 19959351 PQIWESGOBKARGY-UHFFFAOYSA-N 346.777 3.840 5 50 EHBA Cc1ccc(SCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 2983588 MJJDTCAZPCXEBL-UHFFFAOYSA-N 330.409 3.734 5 50 EHBA O=[N+]([O-])c1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2 196560305 AVHILIMDPZXDIP-UHFFFAOYSA-N 333.141 3.871 5 50 EHBA Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 371311 MTIQLEZILOSBHL-LBPRGKRZSA-N 332.331 3.757 5 50 EHBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Cl 264055 HPPREIXQPNPRBL-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=C(COc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 315382 PERRVYSPGDOWKC-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 434512 VLUVIGWDOVSQDV-UHFFFAOYSA-N 330.340 3.645 5 50 EHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2c(OCc3ccccc3)nsc2c1 3664964 BAEFCAFOBAAYQA-UHFFFAOYSA-N 331.309 3.692 5 50 EHBA COc1cc2c(cc1OC)C(c1cc(Cl)ccc1[N+](=O)[O-])=NCC2 163413 UCWAPLAIZMBGPF-UHFFFAOYSA-N 346.770 3.659 5 50 EHBA Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] 355853 FUQACUUVRLKNPK-UHFFFAOYSA-N 340.364 3.674 5 50 EHBA CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 2101854 PXYKJLSLPBTNBT-MRXNPFEDSA-N 343.339 3.693 5 50 EHBA Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 5646532 NIFIYRDJULXSNH-UHFFFAOYSA-N 342.380 3.510 5 50 EHBA O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 55543739 RSZVNTYERRGQNC-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA Cc1cnc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 815512243 NBIHLSAKCJPCLJ-MRVPVSSYSA-N 344.245 3.828 5 50 EHBA O=c1c2ccccc2c2ccccc2c(=O)n1CCc1ccccc1 481553 MEQCBIJEQIVBJY-UHFFFAOYSA-N 327.383 3.758 5 50 EHBA CCC(CC)c1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 617537 JMPPCJRGCSBKMF-UHFFFAOYSA-N 334.401 3.531 5 50 EHBA CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2753413 KLKFQJTWFZOUMH-UHFFFAOYSA-N 329.312 3.879 5 50 EHBA Cc1ccc(Cl)c(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2779472 ZIJQZBZDWFZGNQ-UHFFFAOYSA-N 336.687 3.684 5 50 EHBA CCSc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5065596 XGCDIUIZFRYRLV-UHFFFAOYSA-N 338.410 3.508 5 50 EHBA C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1C2CC3CC(C2)CC1C3 380205 BYWOSWHVXMNXHX-TWGAKMIASA-N 328.412 3.785 5 50 EHBA Cc1ccc(C2=C[C@H](c3cccc([N+](=O)[O-])c3)n3ncnc3N2)cc1C 101185850 MGOBIWYEAMRIER-GOSISDBHSA-N 347.378 3.859 5 50 EHBA O=[N+]([O-])c1cccc(OCCN2CCC(Cc3ccccc3)CC2)c1 4832868 WWDZNZODFVWNFR-UHFFFAOYSA-N 340.423 3.928 5 50 EHBA O=c1oc2ccccc2c(Nc2cc(Cl)ccc2O)c1[N+](=O)[O-] 4833981 MMJUYTLEKHPXOO-UHFFFAOYSA-N 332.699 3.804 5 50 EHBA COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccnc2)o1 443986 UHLSGTORZFEEIU-UHFFFAOYSA-N 339.307 3.511 5 50 EHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OC(C)C)cc1 4079550 CVZRFEGOIXIEPT-UHFFFAOYSA-N 330.340 3.643 5 50 EHBA CCOc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 310570 LNSSBSUVFTXKKL-UHFFFAOYSA-N 349.726 3.679 5 50 EHBA COc1ccc(Cl)cc1NCCC(=O)c1ccc([N+](=O)[O-])cc1 12952489 MWQDAKJFIKCDOO-UHFFFAOYSA-N 334.759 3.942 5 50 EHBA Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 161757664 CYBJGYOKPORFTE-LSDHHAIUSA-N 348.362 3.589 5 50 EHBA Cc1c([N+](=O)[O-])nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1383814 HCHHHHGBXIIWCO-UHFFFAOYSA-N 340.183 3.522 5 50 EHBA C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4020587 OEZYOXZAUKYBEC-KLJIWYGHSA-N 344.455 3.823 5 50 EHBA O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 3069969 HBDDACULCCXCBS-UHFFFAOYSA-N 342.742 3.686 5 50 EHBA C[C@@H](CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 4980822 SPVGXIWVYYXBFB-KRWDZBQOSA-N 339.439 3.911 5 50 EHBA O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 247310275 IFIICLFNJKGRAU-ZFWWWQNUSA-N 342.399 3.657 5 50 EHBA CCOc1ccccc1NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-] 5041390 PIRUDTXYLORUJP-UHFFFAOYSA-N 347.396 3.811 5 50 EHBA Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 5747238 AWDKQFCKMPKRPM-UHFFFAOYSA-N 335.703 3.717 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccccc1 470325 QKPWWQJDQMZWIW-NSHDSACASA-N 332.381 3.723 5 50 EHBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCc1ccc(Cl)cc1 4551560 JLAGSAJCOLOLNL-UHFFFAOYSA-N 347.802 3.697 5 50 EHBA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c1 4999094 OFKIIYIDTVMKQY-UHFFFAOYSA-N 343.408 3.647 5 50 EHBA O=C(COc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1F 38832 XWVRGZQFWXTCFY-UHFFFAOYSA-N 340.310 3.905 5 50 EHBA Cc1cc(C(=O)Nc2nnc(CC3CCCC3)s2)ccc1[N+](=O)[O-] 1005740 VZERDRLTEJNZGG-UHFFFAOYSA-N 346.412 3.740 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)n1ncc2cc(Cl)ccc21 3091311 CNNWSMRWTBHEOO-UHFFFAOYSA-N 334.694 3.817 5 50 EHBA Cc1cccnc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4840075 HPEYLPASJUCNAI-UHFFFAOYSA-N 340.383 3.541 5 50 EHBA O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCCCC1 192009 ABQMFGIGLJPDMN-UHFFFAOYSA-N 332.385 3.632 5 50 EHBA O=C(Cc1cccc2ccccc12)OCC(=O)c1ccc([N+](=O)[O-])cc1 243207 FZINIVRBOMKECK-UHFFFAOYSA-N 349.342 3.717 5 50 EHBA Cc1sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2c1C 2807984 WPOKGALBUOUCJV-UHFFFAOYSA-N 325.353 3.531 5 50 EHBA Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 4904497 BLFXAHAWDNPTEC-NSHDSACASA-N 334.759 3.963 5 50 EHBA Cc1nc(N2CCC(C)CC2)nc(NCc2ccccc2)c1[N+](=O)[O-] 4919356 QXBOVJVVWMQYCA-UHFFFAOYSA-N 341.415 3.542 5 50 EHBA Cc1cc2ncn(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2cc1C 225561838 RNLAQNZWIYUIKJ-UHFFFAOYSA-N 338.367 3.508 5 50 EHBA Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 316967 JEGLRWVBJVQQJV-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA COc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4056109 YDPPXXRFHIIRAG-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA Cc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1C 1385548 DIZPSQDTBTVPMP-UHFFFAOYSA-N 336.351 3.650 5 50 EHBA Cc1cc(C)c2c(n1)sc1c3nc(NC4CC4)sc3c(=O)[nH]c12 20607283 LEWOPYICDUCFPZ-UHFFFAOYSA-N 342.449 3.939 5 50 EHBA CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)OC 2738900 JZAXIBZQFBWVNI-UHFFFAOYSA-N 348.380 3.566 5 50 EHBA CCOC(=O)[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 2164948 LPXZATUHUTVMQJ-MRXNPFEDSA-N 345.376 3.502 5 50 EHBA O=[N+]([O-])c1ccc(NCCOc2ccccc2F)c2cccnc12 4081275 IMOBNQGCIXOVPI-UHFFFAOYSA-N 327.315 3.773 5 50 EHBA Cc1ccc(O[C@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 175267558 OEENTNZZRJPVMG-GFCCVEGCSA-N 348.786 3.754 5 50 EHBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Br)o3)n2)c1 461007 TVADYHXWWZLBME-UHFFFAOYSA-N 336.101 3.667 5 50 EHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)ccc(C)c1C 4043742 OEDKRPCBGAAHNU-UHFFFAOYSA-N 328.368 3.846 5 50 EHBA O=[N+]([O-])c1ccc2nc3c([nH]c4ccccc43)c(N3CCOCC3)c2c1 22147034 YDKRGCBUWJJLCL-UHFFFAOYSA-N 348.362 3.614 5 50 EHBA O=[N+]([O-])c1c(Nc2ccccc2)cc(N2CCCCC2)c2nonc12 4116742 PJHKWALJTNVQIV-UHFFFAOYSA-N 339.355 3.865 5 50 EHBA COc1ccc(C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC 5041618 VSSSAFLFDAMFBB-UHFFFAOYSA-N 331.328 3.564 5 50 EHBA CCCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 47676 SKESRUHKBLFFAU-UHFFFAOYSA-N 328.368 3.873 5 50 EHBA COc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 1778308 KUQZOELWSZMVRN-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA O=[N+]([O-])c1cc(-c2c(Cl)cc(C(F)(F)F)c[n+]2[O-])ccc1F 261494746 BXUFDODDQVGSDN-UHFFFAOYSA-N 336.628 3.707 5 50 EHBA Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Cl)c1 145280 LOZUIFLFHJBMCC-UHFFFAOYSA-N 334.759 3.883 5 50 EHBA O=C(OCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 360354 SQSHDOQIXAJNPS-UHFFFAOYSA-N 336.141 3.714 5 50 EHBA O=C(Nc1ccccc1)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 4983631 ODYMTOACRCRDTG-UHFFFAOYSA-N 348.362 3.854 5 50 EHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 17068161 AQWSHANISJUOPA-UHFFFAOYSA-N 331.759 3.838 5 50 EHBA COc1ccc(Cl)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 253432470 KNJCMHCRNJYJQC-SNVBAGLBSA-N 334.759 3.999 5 50 EHBA O=C(Nc1ncc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 191452 FCVULNLXGURWSR-UHFFFAOYSA-N 325.349 3.971 5 50 EHBA Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1C 454332 YJAMLSVXMBDZQR-UHFFFAOYSA-N 338.319 3.570 5 50 EHBA O=[N+]([O-])c1cc(F)c(Sc2nnc(C3CC3)n2C2CC2)c(F)c1 269638781 NNYXLGBQWOEXLF-UHFFFAOYSA-N 338.339 3.828 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)c(F)c(F)c(F)c1F 4893290 NADKWVZTBNOQSU-UHFFFAOYSA-N 332.184 3.543 5 50 EHBA C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccsc1 252452650 UGWVAISODHQJIW-LRDDRELGSA-N 345.424 3.820 5 50 EHBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCC12CCOCC2 282436021 FNGMIXKIXBQLDW-HNNXBMFYSA-N 347.415 3.682 5 50 EHBA COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(C)c1 17067963 NNXUCXALYFNFKA-UHFFFAOYSA-N 331.328 3.564 5 50 EHBA O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 274631 KALGVWATZJIXGR-UHFFFAOYSA-N 336.141 3.619 5 50 EHBA in-vitro Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 4583129 AROJUVBNBZBAPA-UHFFFAOYSA-N 330.300 3.764 5 50 EHBA Nc1ccc([N+](=O)[O-])c(N2CCC(OCc3ccc(F)cc3)CC2)c1 193492315 WWGIQIQVKROZLC-UHFFFAOYSA-N 345.374 3.502 5 50 EHBA Cc1ccc([C@@H](C)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] 170592771 DEBXNEBCPVFXPL-JCQPUDPBSA-N 332.425 3.955 5 50 EHBA C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1-n1cccn1 328586361 BAJHFWNJMOCHAM-CYBMUJFWSA-N 340.358 3.770 5 50 EHBA O=[N+]([O-])c1ccc(NCCOc2ccccc2F)c2ncccc12 4132230 VVXCLIDJZKGTEI-UHFFFAOYSA-N 327.315 3.773 5 50 EHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(C2CCCC2)no1 123021383 XLRVVDUVJTUNPY-UHFFFAOYSA-N 344.371 3.515 5 50 EHBA Cc1csc([C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 162555247 WZGRXERBHRTWJW-JTQLQIEISA-N 334.401 3.593 5 50 EHBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCCC1 4086362 DGAFVAKVFXOKOX-CSKARUKUSA-N 326.352 3.881 5 50 EHBA O=[N+]([O-])c1cccc([C@@H](Nc2ccccn2)n2cnc3ccccc32)c1 19286471 GSXXRJAJCNMYEG-IBGZPJMESA-N 345.362 3.999 5 50 EHBA O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1ccccc1Cl 310854 BTFFZONDACOYQK-LCYFTJDESA-N 328.711 3.593 5 50 EHBA COc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccc3cccc(c23)C1=O 449053 NYTVXXBYGSGLAO-UHFFFAOYSA-N 348.314 3.557 5 50 EHBA O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 2384501 DTNSBEHTNAGKQO-UHFFFAOYSA-N 335.659 3.514 5 50 EHBA CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4602678 GVRJYZZRDMAUMX-UHFFFAOYSA-N 344.411 3.692 5 50 EHBA O=C(Cn1ccc([N+](=O)[O-])n1)N1c2ccccc2C=Cc2ccccc21 6668602 QPMJXLGAHQQGNN-UHFFFAOYSA-N 346.346 3.640 5 50 EHBA Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1 375771 YQFRLLJRMCOYKE-UHFFFAOYSA-N 329.337 3.872 5 50 EHBA COc1cc(SC)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 456363 OOXNSEVAVBXSHD-UHFFFAOYSA-N 336.344 3.717 5 50 EHBA C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)C1 2785593 FOSBANRDECFAIY-ZDUSSCGKSA-N 344.367 3.639 5 50 EHBA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 3065172 IXQQEYBPSWOXHT-UHFFFAOYSA-N 337.118 3.702 5 50 EHBA COc1ccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)cc1[N+](=O)[O-] 253419874 BCXHWAZVGLQXNR-UHFFFAOYSA-N 344.367 3.790 5 50 EHBA O=[N+]([O-])c1ccc(Nc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])c1 5572330 VGPIMSIOIJPAOH-UHFFFAOYSA-N 343.324 3.765 5 50 EHBA O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nc1 170024437 NHRNDQYJRLZPOX-FUHWJXTLSA-N 341.411 3.863 5 50 EHBA COc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc([N+](=O)[O-])c1C 408333268 BQXRQGQJZZWLSC-KZULUSFZSA-N 332.400 3.564 5 50 EHBA COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 4053773 YMCMXOVZSVFCCI-UHFFFAOYSA-N 337.719 3.777 5 50 EHBA O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)c2nonc12 4126581 ZEJBYFGPGCVHTI-UHFFFAOYSA-N 335.117 3.637 5 50 EHBA Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 371312 MTIQLEZILOSBHL-GFCCVEGCSA-N 332.331 3.757 5 50 EHBA O=[N+]([O-])c1cccc(-n2cccc2/C=C2/SC(=S)N=C2O)c1 1212846 FWVSOGBLFFIYHS-XYOKQWHBSA-N 331.378 3.715 5 50 EHBA COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C2CC2)cc1 124601139 BHMWFNUWKBFKNQ-NSHDSACASA-N 330.340 3.642 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 304133 PMUOSBCBSIALLW-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA CSc1nc(=S)n(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(C)=O 441362 HGAGAPNBGVTBDF-UHFFFAOYSA-N 335.410 3.743 5 50 EHBA COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NC(C)(C)C2 2954875 PRMPNZDTQSRKDY-UHFFFAOYSA-N 340.379 3.784 5 50 EHBA COc1cc(C=O)ccc1OCCCCOc1ccc([N+](=O)[O-])cc1 4702015 WZUSPYGFOMSVAH-UHFFFAOYSA-N 345.351 3.654 5 50 EHBA CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)c1ccccc1 316887 KXZAIXLVUSMLJB-INIZCTEOSA-N 327.336 3.722 5 50 EHBA O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCc1ccccc1 4558917 LIHPCJNCOWWTLW-UHFFFAOYSA-N 346.342 3.587 5 50 EHBA O=C(Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1[N+](=O)[O-] 467177 UOESBOWYBYQXRR-UHFFFAOYSA-N 327.123 3.860 5 50 EHBA Cc1[nH]c2c(ccc3ccccc32)c(=O)c1CN1C[C@H](C)O[C@H](C)C1 13534571 GIOVYRFIFRUGOD-OKILXGFUSA-N 336.435 3.599 5 50 EHBA O=c1nc(/C=C/c2cc([N+](=O)[O-])ccc2Cl)cc(C(F)(F)F)[nH]1 8579369 MJQNHKBQLBCQNA-OWOJBTEDSA-N 345.664 3.521 5 50 EHBA Cc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])c(C)c1 4116734 GJVZDYSRGUWVQA-UHFFFAOYSA-N 327.344 3.557 5 50 EHBA COc1cc(CN2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC 5729755 TVLFCBDSKNDCPN-DZGCQCFKSA-N 334.416 3.767 5 50 EHBA COc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1Cl 153458246 QYDGDCIREPRMDX-UHFFFAOYSA-N 342.685 3.787 5 50 EHBA CC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 614188 WRMOEADHFXENBG-UHFFFAOYSA-N 333.727 3.808 5 50 EHBA O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc12 4525319 WLLNRXGKIHMUAP-FPYGCLRLSA-N 328.711 3.920 5 50 EHBA O=C(COc1ccc(Cl)cc1Cl)Oc1ccccc1[N+](=O)[O-] 451404 NULITBKJPSPVGR-UHFFFAOYSA-N 342.134 3.886 5 50 EHBA CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 3203547 UYXUYCIVTYIWNT-UHFFFAOYSA-N 343.364 3.856 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1cccc(C)c1 1910450 WQTCKFNBZCNMFL-UHFFFAOYSA-N 344.367 3.710 5 50 EHBA O=C(CCN1C[C@@H]2CCCCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 230126667 CYTJZALDUBAMOV-WMLDXEAASA-N 331.416 3.578 5 50 EHBA Cc1ccc(C)c(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 99464 BGVBTAWARSBCEA-UHFFFAOYSA-N 325.324 3.841 5 50 EHBA Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 309370 BXODPCBGIFYSCZ-UHFFFAOYSA-N 349.799 3.683 5 50 EHBA C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 461420 YNNILCSFDKPGIX-GFCCVEGCSA-N 332.787 3.999 5 50 EHBA CCCC(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 1216729 WOKOYKSYELZXLR-UHFFFAOYSA-N 327.340 3.586 5 50 EHBA Cc1nn(C)c(NCc2ccc(-c3ccc(O)cc3)cc2)c1[N+](=O)[O-] 170627028 SEOYVJNHTCIJFA-UHFFFAOYSA-N 338.367 3.621 5 50 EHBA CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 300717 ULBRAZCKMZFVEN-GFCCVEGCSA-N 334.397 3.909 5 50 EHBA COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] 1847975 ASNDUSMJOSFLEP-UHFFFAOYSA-N 347.327 3.605 5 50 EHBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1Cl 4566446 FFHQXUDIEFAUTE-UHFFFAOYSA-N 347.179 3.702 5 50 EHBA O=C(COc1ccccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 455205 YVLCIOGBIVILJZ-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA O=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 474353 WVPGWLQZNPLELB-UHFFFAOYSA-N 339.178 3.874 5 50 EHBA Cc1cc(C(F)(F)F)c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2n1 5078278 GAYWYMUWPSSSRZ-UHFFFAOYSA-N 336.273 3.964 5 50 EHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl 447732 NHACPWHUFCPHBE-UHFFFAOYSA-N 341.150 3.919 5 50 EHBA Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2C=O)ccc1Cl 2875613 ZAFOWXGEVFEXAY-UHFFFAOYSA-N 335.743 3.827 5 50 EHBA Cc1c(C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3106371 WCSCDUWJNXROIR-UHFFFAOYSA-N 335.703 3.717 5 50 EHBA O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 2534552 NLCRSDCCZIJRRG-UHFFFAOYSA-N 336.687 3.513 5 50 EHBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 68853 AHQVDMUCXYQSRG-UHFFFAOYSA-N 325.349 3.971 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](c2ccco2)C1 377630666 GEYWXDKGGTZYLG-SNVBAGLBSA-N 335.747 3.863 5 50 EHBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1[N+](=O)[O-] 430893 MTWNBCXKVYQGEN-LCYFTJDESA-N 328.711 3.593 5 50 EHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccccc1 470326 QKPWWQJDQMZWIW-LLVKDONJSA-N 332.381 3.723 5 50 EHBA CC(=O)Nc1ccc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4771214 MJBNPPHFRCAMPD-UHFFFAOYSA-N 349.730 3.818 5 50 EHBA O=[N+]([O-])c1ccc(NC(=S)NCCCCc2ccccc2)cc1 5041929 QWZKRTKNZLKVBG-UHFFFAOYSA-N 329.425 3.904 5 50 EHBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 6220287 SEVLZSMPJBEKTM-UHFFFAOYSA-N 327.178 3.876 5 50 EHBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1cccc(Cl)c1 19959363 XHIZUCCWUWPHGJ-UHFFFAOYSA-N 346.777 3.840 5 50 EHBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1 37246092 JXBIHSIBDSAUFE-UHFFFAOYSA-N 327.123 3.860 5 50 EHBA O=C(Nc1ccc(SC(F)F)cc1)c1cccc(O)c1[N+](=O)[O-] 252484538 FYWSBDSFWYNRQB-UHFFFAOYSA-N 340.307 3.867 5 50 EHBA CCCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 444648 YHVFFNDUIPUMFS-UHFFFAOYSA-N 327.340 3.586 5 50 EHBA COc1c(NC(=O)Nc2ccccc2C)cc([N+](=O)[O-])c(OC)c1C 4820630 GBMPDFASFNNPPO-UHFFFAOYSA-N 345.355 3.873 5 50 EHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 55543287 ADICUDOVEDGWDO-UHFFFAOYSA-N 331.803 3.570 5 50 EHBA