smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1C 868202 SNWZIORWWNEBKT-UHFFFAOYSA-N 371.396 5.614 5 40 FKBB CC(C)CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 1245760 FBVZQHWPFRSLGE-UHFFFAOYSA-N 368.278 5.546 5 40 FKBB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2627351 ZWCXRCFUVBFRCS-SECBINFHSA-N 371.245 5.021 5 40 FKBB COC(=O)c1c(O)cccc1CCc1c2ccccc2cc2ccccc12 35973635 PNCQRYXRARFHCJ-UHFFFAOYSA-N 356.421 5.270 5 40 FKBB Cc1ccc(-c2nc3ccccc3nc2Cc2ccccc2[N+](=O)[O-])cc1 28294698 ZGUNKALNZNDCHU-UHFFFAOYSA-N 355.397 5.104 5 40 FKBB CCCCCCOc1ccc(C(=O)Sc2ccc([N+](=O)[O-])cc2)cc1 5418232 JOXOLFJRGPRXJY-UHFFFAOYSA-N 359.447 5.486 5 40 FKBB O=[N+]([O-])c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 5947482 SPWIWFJMWIWBGB-UHFFFAOYSA-N 370.301 5.273 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1 7813369 BAVDSKMMFYGLAA-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB C[C@@H]1CCc2c(c(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)C1 4618363 APJYNUDYZFDGML-QGZVFWFLSA-N 366.508 6.246 5 40 FKBB O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)ccc3Cl)no2)ccc1Cl 34797731 RGCHSNJXWFEJNO-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc21 409116824 LWAFOTMRVIRLKN-JXAWBTAJSA-N 374.396 5.152 5 40 FKBB O=[N+]([O-])c1cccc([C@H]2CC(c3cccnc3)=Nc3ccccc3S2)c1 1448937 JZUZBIOVYOCJDC-HXUWFJFHSA-N 361.426 5.348 5 40 FKBB C[C@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)c1ccccc1 3448315 UAIKTIQSPJAAPQ-INIZCTEOSA-N 354.405 5.421 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H]2CCc3ccccc32)o1 84581888 FZWQGLOSJRXHOS-SFHVURJKSA-N 368.820 5.285 5 40 FKBB O=c1oc2ccc3ccccc3c2c(-c2ccc(O)cc2)c1-c1ccccc1 1639790 YYHWEXREBSYECT-UHFFFAOYSA-N 364.400 5.986 5 40 FKBB Cc1ccc(OCCn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 2375033 KPYSLQWKCCWGOG-UHFFFAOYSA-N 367.452 5.434 5 40 FKBB CCCCOc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 5788386 UCTULBCMFIIMNR-IZZDOVSWSA-N 354.431 5.554 5 40 FKBB Cc1c(-c2ccccc2)sc2ncnc(Oc3ccccc3[N+](=O)[O-])c12 9497878 NYKVETGKEKXWLR-UHFFFAOYSA-N 363.398 5.367 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2Cl)cc1 409121245 UCKMTKXHWNQNCQ-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB O=[N+]([O-])c1ccccc1-c1nc2ccc3ccccc3c2c2c1CCCC2 2072806 KYAFLKZVHLLMOM-UHFFFAOYSA-N 354.409 5.842 5 40 FKBB O=[N+]([O-])c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 5930959 DWLUGBUBYKVTOL-DAFODLJHSA-N 361.184 5.326 5 40 FKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1 409191132 SXWDNORWCQVHET-UHFFFAOYSA-N 356.790 5.785 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1 1684209 YBUGJACEYUHTTM-UHFFFAOYSA-N 351.202 5.425 5 40 FKBB O=[N+]([O-])c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 59488148 MSLOBNQLPRMDAR-UHFFFAOYSA-N 371.270 5.804 5 40 FKBB CCCCc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 6650809 ZTNVXJBKPDRZIY-CQSZACIVSA-N 358.463 5.057 5 40 FKBB CCCOc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 2668004 MAZIKCKRTGWUGN-UHFFFAOYSA-N 367.452 5.575 5 40 FKBB O=[N+]([O-])/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Cc1ccccc1 4545679 GSXJCVOKMSSBAT-NTCAYCPXSA-N 374.223 6.114 5 40 FKBB Cc1ccc(N(C)C(=O)Nc2cc3cccnc3c3cccnc23)cc1C 408977247 VAFSVKRDDGDNDS-UHFFFAOYSA-N 356.429 5.068 5 40 FKBB Cc1cc(C)cc(-c2c(-c3ccccc3)ccc3ccc4ccccc4c23)c1 2077490 WUXGKAJXPJJHJR-UHFFFAOYSA-N 358.484 7.944 5 40 FKBB Cc1cccc([N+](=O)[O-])c1NC(=S)Nc1ccc(Cl)cc1Cl 6276297 OCKRCPSDNNFJHQ-UHFFFAOYSA-N 356.234 5.019 5 40 FKBB O=C(c1ccccc1)c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1 868214 PTDIAINBCVMAJO-UHFFFAOYSA-N 370.364 5.166 5 40 FKBB Clc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 2371616 CLNSGAYZAYIHRE-UHFFFAOYSA-N 363.247 6.843 5 40 FKBB S=C(Nc1ccccc1Cl)Nc1cc2ccncc2c2ncccc12 408976972 UCRMUFXATMIZOK-UHFFFAOYSA-N 364.861 5.245 5 40 FKBB CCOC(=O)c1cccc(Nc2cc(C)nc3c2ccc2ccccc23)c1 703415 AIDNGAUFBMSGCM-UHFFFAOYSA-N 356.425 5.617 5 40 FKBB O[C@H](c1cc(-c2ccccc2)nc2c1ccc1ccccc12)[C@@H]1CCCCN1 1729663 QEFWYSWSVVMRHO-WIOPSUGQSA-N 368.480 5.231 5 40 FKBB in-vitro Cc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 409131541 JSZMSDMFWVSTDB-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccccc1)c1c[nH]c2ccccc12 408567751 HIOXTOAMCBMHEF-NRFANRHFSA-N 372.424 5.156 5 40 FKBB Cc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409122574 ZTNITYRWMHPOPE-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2567018 JMONHDKBMOQVKS-UHFFFAOYSA-N 351.202 5.425 5 40 FKBB O=[N+]([O-])c1ccc(N2c3ccccc3SC23CCCC3)c([N+](=O)[O-])c1 5392883 OFZLNHOWIFVTFZ-UHFFFAOYSA-N 357.391 5.017 5 40 FKBB O=C(Nc1ccccc1)OCc1ccc(Oc2ccccc2)cc1[N+](=O)[O-] 1388960 HJUBTIQIJQGWLH-UHFFFAOYSA-N 364.357 5.136 5 40 FKBB Cc1ccccc1Nc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 3330922 YMCUEQSUJZCYSJ-UHFFFAOYSA-N 356.385 5.257 5 40 FKBB Cc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 6922725 HYXUEDIZWHDTOZ-UHFFFAOYSA-N 354.193 5.162 5 40 FKBB Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C 408907768 QZLHHMDKTNNETJ-PXLXIMEGSA-N 372.424 5.391 5 40 FKBB CCCN(CCC)C[C@H](O)c1cccc2c1cc(Cl)c1ccccc12 1555710 JIBLDPJGPINIML-QFIPXVFZSA-N 355.909 5.802 5 40 FKBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 4014325 HVRQLYIPRYOXAS-UHFFFAOYSA-N 373.840 5.245 5 40 FKBB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1cc([N+](=O)[O-])ccc1Cl 44781829 MMJDYRMXGQOUJI-UHFFFAOYSA-N 365.776 5.135 5 40 FKBB CN(C)c1ccc(NC(=S)Nc2ccc3cc4ccccc4nc3c2)cc1 409190842 WTQMYKPGIXPPDW-UHFFFAOYSA-N 372.497 5.263 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccccc1C 940236 OKAHSHPZMZQIOL-UHFFFAOYSA-N 356.425 5.617 5 40 FKBB Cc1cccc(OCc2nc3ccccc3c3nc4ccccc4n23)c1C 8135240 QCLLCYITLTWHLL-UHFFFAOYSA-N 353.425 5.232 5 40 FKBB CCCCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 6342782 DYHFQRZCGCSDQR-UHFFFAOYSA-N 369.446 5.108 5 40 FKBB O=[N+]([O-])c1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)c1 828692 XMLAKPRDMZAYJF-HSZRJFAPSA-N 356.425 6.242 5 40 FKBB O=C(Oc1ccccc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 3284149 VBHZEISRCUWVRR-UHFFFAOYSA-N 367.788 5.058 5 40 FKBB Cc1cc(C)c(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 4406275 QFBSDJGAUWUPBX-UHFFFAOYSA-N 369.299 5.191 5 40 FKBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 10111730 CEZWHCSJOSPREB-GFCCVEGCSA-N 360.841 5.037 5 40 FKBB O=[N+]([O-])c1ccc(-c2c(-c3ccccc3)csc2N2CCCCC2)cc1 2141066 NBRIVLRARJOYQO-UHFFFAOYSA-N 364.470 5.981 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2N[C@H](c3ccccc3)Cc3c2[nH]c2ccccc32)cc1 20111649 VKOFOVYBHNSALY-VXKWHMMOSA-N 369.424 5.053 5 40 FKBB biogenic COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(Cl)c1 65812626 UVNXMWOHHWMKJF-UHFFFAOYSA-N 362.816 5.302 5 40 FKBB O=C(Nc1ccccc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl 4902479 JMSBHZBDALAOSG-UHFFFAOYSA-N 367.213 5.369 5 40 FKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cccc(Cl)c2)cc1 5142126 WZKQOASTQGQDBL-UHFFFAOYSA-N 369.804 5.503 5 40 FKBB CC(C)(C)CC(C)(C)NC(=O)Nc1cc2cccnc2c2cccnc12 6357223 CONGNLGFCTXRJC-UHFFFAOYSA-N 350.466 5.119 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1[N+](=O)[O-] 408625908 YQKQSNRCIBMLAN-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1 3205183 XTWBCHZDKPATDT-QFIPXVFZSA-N 372.424 5.024 5 40 FKBB aggregator Cc1noc(C(C)C)c1C(=O)OCc1nc2ccccc2c2ccccc12 17150669 BLNFYNNLQTYNGZ-UHFFFAOYSA-N 360.413 5.165 5 40 FKBB O=C(Nc1ccccc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 408994110 FTVCUJUOYWJYOZ-UHFFFAOYSA-N 370.437 5.642 5 40 FKBB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 20038363 KEIKFSBIVREGFB-MRXNPFEDSA-N 364.854 5.066 5 40 FKBB Cc1cc(-c2ccc(-c3nc4ccccc4s3)o2)cc([N+](=O)[O-])c1C 409192077 UKVOWPYGQYJXTI-UHFFFAOYSA-N 350.399 5.748 5 40 FKBB Cc1cc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2cc1[N+](=O)[O-] 1505840633 IUMDLMOBKHYCSC-UHFFFAOYSA-N 371.400 5.334 5 40 FKBB C/C=C1\C[N@+]2(CCCCC)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@H]42 1772493150 XQRRSKKQLILQOC-QISHILNNSA-O 363.525 5.212 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3c(C)cccc3C)o2)c([N+](=O)[O-])c1 12855892 KAGNDTUTHVJBBY-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB Cc1cc(NC(=O)c2ccc3ccccc3n2)c2ccc3ccccc3c2n1 40384448 YMKHYRSZKSDSLO-UHFFFAOYSA-N 363.420 5.497 5 40 FKBB CC(C)=CCCC1=CC[C@@H]([C@H]2OC[C@@H](C[N+]3(C)CCCCC3)O2)[C@@H](C)C1 100741573 FSCUZZBYWCMCOK-IZBOUPIGSA-N 362.578 5.077 5 40 FKBB Cc1ccc(C)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408925324 PBERDNKVCCBXJF-RCCKNPSSSA-N 372.424 5.391 5 40 FKBB COC(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccccc3c2c1 4933508 KDQHIWPYIKDYGR-UHFFFAOYSA-N 374.483 6.931 5 40 FKBB O=C(Nc1ccccc1-c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 2626065 DJRBNVCTJKWZOI-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cc1ccccc1 3416856 CASHGTSLWXMAGG-UHFFFAOYSA-N 374.223 6.285 5 40 FKBB CC(C)(C)CC(C)(C)NC(=S)Nc1cc2ncccc2c2cccnc12 6186723 UOLYAKFQSAJOCT-UHFFFAOYSA-N 366.534 5.284 5 40 FKBB CC(C)N(C(=O)c1ccc2sc3nc4ccccc4nc3c2c1)C(C)C 408976522 RVXNOWVXIHTTNQ-UHFFFAOYSA-N 363.486 5.257 5 40 FKBB O=C(Oc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 2751310 PHKMHCGQWUSPQR-UHFFFAOYSA-N 369.373 5.104 5 40 FKBB Cc1ccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc23)cc1 1876639 GEERMMVNUPSBPM-UHFFFAOYSA-N 373.459 6.407 5 40 FKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(C)C 44086843 VVOBAGRAQUCTLZ-UHFFFAOYSA-N 367.474 5.504 5 40 FKBB CCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc(=S)c2c1CCCC2 4192744 CSSZFNRDUAOOBC-UHFFFAOYSA-N 371.506 5.647 5 40 FKBB COc1ccc(N(c2ccc(OC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 55168593 IRTXFNPBVZYVOU-UHFFFAOYSA-N 350.374 5.082 5 40 FKBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C(C)C)ccc4o3)nc12 57352713 GMJGUQFRQXGNFL-UHFFFAOYSA-N 368.418 5.521 5 40 FKBB O=C1Nc2ccccc2S/C1=C\c1c2ccccc2cc2ccccc12 409095398 CHSKWOWZTGVXIP-HMAPJEAMSA-N 353.446 6.078 5 40 FKBB CCOC(=O)c1ccc(Nc2cc(C)nc3c2ccc2ccccc23)cc1 944991 SMTPURMWYYSBDJ-UHFFFAOYSA-N 356.425 5.617 5 40 FKBB Cc1cc(F)c([N+](=O)[O-])cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250177 BWQUJZKFBGZYEM-UHFFFAOYSA-N 351.202 5.132 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 3669061 XLUBUUBQJBYRTM-UHFFFAOYSA-N 373.330 5.997 5 40 FKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 4155815 WPQDYPCODLSWKJ-UHFFFAOYSA-N 369.380 5.062 5 40 FKBB COc1ccc(OC)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 844115 SWPBCOBYOVGWGB-UHFFFAOYSA-N 354.409 5.554 5 40 FKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408996571 QDAPTPQHLSFPEP-FIOBRGGZSA-N 362.473 6.015 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(O)c1 953640 JZJWQFAJEYQCIX-UHFFFAOYSA-N 358.397 5.014 5 40 FKBB COc1ccc2c(c1)c(=O)oc1cc3oc(C)c(-c4ccccc4)c3cc12 2483177 ZWXOKESCABMIJS-UHFFFAOYSA-N 356.377 5.676 5 40 FKBB biogenic O=[N+]([O-])c1ccc(N2c3ccccc3S[C@H]2c2ccco2)c([N+](=O)[O-])c1 5393016 LAAXMDFDMFQHAX-KRWDZBQOSA-N 369.358 5.039 5 40 FKBB CC(C)c1ccccc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 21596020 PGDYZWBORYAXNB-UHFFFAOYSA-N 374.849 5.839 5 40 FKBB O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893826 QDGUBECATKUVSS-UHFFFAOYSA-N 358.353 5.260 5 40 FKBB CC(=O)Oc1c(-c2ccccc2)[nH]c2c3ccccc3c3ccccc3c12 1721750 VPLYCHFXDXZPGQ-UHFFFAOYSA-N 351.405 6.067 5 40 FKBB CC1=Cc2cc([N+](=O)[O-])ccc2S[C@@]12N(C)c1ccccc1C2(C)C 2048983 YPWPNPINWOJFNS-FQEVSTJZSA-N 352.459 5.228 5 40 FKBB Cc1cccc(-c2c3ccccc3c(-c3cccc(C)c3)c3ccccc23)c1 2559745 XYYLXQKNBIYFCM-UHFFFAOYSA-N 358.484 7.944 5 40 FKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 5321455 ZRNLGJDOEHUBJI-UHFFFAOYSA-N 371.871 6.056 5 40 FKBB CC(C)(C)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccccc12 4014285 XATHAMBDJCYRSI-UHFFFAOYSA-N 363.417 5.211 5 40 FKBB O=c1c(-c2ccccc2)c(O)c2ccc3c4ccccc4oc4ccc1c2c43 4577672 FNDLHGVNELJUOG-UHFFFAOYSA-N 362.384 6.063 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(Cl)c1)N2 226360628 URVOQILKAAIDGO-QKQOXNHBSA-N 354.837 5.545 5 40 FKBB CC[N+]1(CC)Cc2c(c(-c3ccccc3)c3cc(Cl)ccc3c2Cl)C1 1834402 OHPFTYGRMVQGML-UHFFFAOYSA-N 371.331 6.684 5 40 FKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3c(C)cc(C)cc3[nH]2)o1 85345510 NDCCLDJJWGGKLY-UHFFFAOYSA-N 363.373 5.024 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 3236245 LVMULGKSVDSCLI-UHFFFAOYSA-N 358.825 5.007 5 40 FKBB O=C(Nc1ccc(C2CCCCC2)cc1)c1coc2ccc([N+](=O)[O-])cc12 197670509 BYHZJRVSLOCZRL-UHFFFAOYSA-N 364.401 5.641 5 40 FKBB O=[N+]([O-])C[C@H](c1ccco1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 946564 JMZXFYPBMSIYJC-MRXNPFEDSA-N 366.804 5.490 5 40 FKBB Cc1ccc(C(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1C 3245560 XLVXURNHCYKQQC-UHFFFAOYSA-N 372.420 5.133 5 40 FKBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 223020996 PXUJMHWKWCFBQZ-LJQANCHMSA-N 372.852 5.008 5 40 FKBB Cn1c(-c2ccccc2)c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c2ccccc21 1098102 VTTFJIXGUHXGOW-FQEVSTJZSA-N 374.415 5.393 5 40 FKBB Cc1cc(NC(=O)c2ccc(N(C)C)cc2)c2ccc3ccccc3c2n1 40384387 VUCWMSQCWYQJQQ-UHFFFAOYSA-N 355.441 5.015 5 40 FKBB CC(C)n1nc(O)c2c(-c3ccsc3)c3oc4cc(O)ccc4c3nc21 79483360 ZFQXMZFBKNXATD-UHFFFAOYSA-N 365.414 5.051 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccccc2Cl)c1 408557037 LPNPKNVICAACCA-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1ccc2c(Cl)cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c2n1 6814717 SMLNDIUZVKKWIE-UHFFFAOYSA-N 363.200 5.337 5 40 FKBB COc1cccc(NC(=S)Nc2ccc3cc4ccccc4nc3c2)c1 409190762 WAKFHZYESCSELP-UHFFFAOYSA-N 359.454 5.206 5 40 FKBB O=C(Nc1ccccc1SCc1ccsc1)c1ccc([N+](=O)[O-])cc1 15720099 LTDKNWFRTPZOSH-UHFFFAOYSA-N 370.455 5.201 5 40 FKBB O=C(O)c1cc2ccccc2c2cc3c(cc12)c(C(=O)O)cc1ccccc13 105026340 KJLFTCGWTLNSMO-UHFFFAOYSA-N 366.372 5.696 5 40 FKBB Cc1ccc2sc3ccc(NC(=O)c4ccc(F)cc4)cc3c(=O)c2c1 4014234 WKZPVVAJQMOWRG-UHFFFAOYSA-N 363.413 5.115 5 40 FKBB C[C@@H](C[C@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1)CC(C)(C)C 4812370 ORHCJMDTXKANRH-PMVMPFDFSA-N 374.589 5.391 5 40 FKBB O=C(CSc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1Cl 4031964 BKWFLBFTIKYBOK-UHFFFAOYSA-N 372.833 5.132 5 40 FKBB O=[N+]([O-])c1ccccc1NP(=O)(Oc1ccccc1)Oc1ccccc1 5665385 OLQWHDSBLRSVBT-UHFFFAOYSA-N 370.301 5.273 5 40 FKBB O=[N+]([O-])c1ccc(F)c(NCCC(c2ccccc2)c2ccccc2)c1 26522340 DLOIGOLHHOQODW-UHFFFAOYSA-N 350.393 5.368 5 40 FKBB CC(C)(C)c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 863285 HCHRHGJKCJJWKQ-UHFFFAOYSA-N 369.446 5.235 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=C/c2nc3ccccc3o2)o1 4173368 NGZWUBMGJOVSET-JXMROGBWSA-N 366.760 5.820 5 40 FKBB CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 44085448 QJTMJHOOMGZXGP-UHFFFAOYSA-N 353.447 5.007 5 40 FKBB CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087115 ZDGFLWGDFNAYLO-UHFFFAOYSA-N 357.410 5.087 5 40 FKBB O=[N+]([O-])C[C@H](c1ccc(F)cc1)c1c(-c2ccccc2)cc2ccccn12 3207792 VEBNQYMVTKOJIS-OAQYLSRUSA-N 360.388 5.154 5 40 FKBB O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl 36646441 VMBJBFGKJMAQKG-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB S=C(Nc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 103993542 UFRREMVLJDICHO-UHFFFAOYSA-N 369.453 5.073 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccco2)cc1/C=C\c1ccco1 18022446 JSPPUGNDSZAGJA-CGXWXWIYSA-N 352.302 5.030 5 40 FKBB c1ccc([C@H]2Oc3c(c4ccccc4c4ccccc34)[C@H]2c2ccccc2)cc1 1715118 MTILRKCWWWZXOH-XNMGPUDCSA-N 372.467 7.259 5 40 FKBB Cc1cccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2)c1 4718894 SUQSJHIYGQDXCB-UHFFFAOYSA-N 364.357 5.579 5 40 FKBB O=[N+]([O-])c1cccc(NCc2cccc(OCc3cccc(Cl)c3)c2)c1 408557873 PENATLFULBJPFV-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Nc1cc(N)c(C=Cc2ccccc2)c([N+](=O)[O-])c1C=Cc1ccccc1 2049238486 DEBLDHNXANPLEN-UHFFFAOYSA-N 357.413 5.100 5 40 FKBB CCOc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1OC 678008 ZDUGMWKHCCALDW-UHFFFAOYSA-N 373.408 5.161 5 40 FKBB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 5997087 SLVLDOZRZRVRIA-FPLPWBNLSA-N 368.216 5.219 5 40 FKBB C/C(=C\c1ccccc1)c1n(O)c2c3ccccc3c3ccccc3c2[n+]1[O-] 6261736 SMUBCYRIDBTNHN-FOCLMDBBSA-N 366.420 5.379 5 40 FKBB Cc1cc(OCc2csc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 89591381 IBPYMZGYQZVAOK-UHFFFAOYSA-N 360.822 5.259 5 40 FKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1 857515 XAGFEIZHWKXICX-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1cc(Cl)c(Cl)cc1Cl 1707585 JBZIMSHANFNDDT-UHFFFAOYSA-N 363.540 5.256 5 40 FKBB Cc1cccc(C)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408927330 ZBEKJHZQJTXCLC-RCCKNPSSSA-N 372.424 5.391 5 40 FKBB O=c1c2ccc3oc4ccccc4c4ccc(c2c34)c2nc3ccccc3n12 3470570 MPOBRHDAHHAGTC-UHFFFAOYSA-N 360.372 5.491 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 1045090 HCOVSUWQMKZWAW-NRFANRHFSA-N 360.438 5.953 5 40 FKBB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 4893839 FSGMBFQEIWFVQC-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)nc1 987855 JXVPKHMBQHSBHA-UHFFFAOYSA-N 374.425 5.198 5 40 FKBB Cc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C 27516694 LGRXRNWMAXLMPT-UHFFFAOYSA-N 369.368 5.039 5 40 FKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SC(C)C)cc1 44085527 PIJOFVAFHKZBBK-UHFFFAOYSA-N 353.447 5.256 5 40 FKBB Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 6478821 WZMVQNWMUHRUCU-UHFFFAOYSA-N 363.369 5.053 5 40 FKBB Cc1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408995010 KNUBNBJKBIIEGX-UHFFFAOYSA-N 367.412 5.217 5 40 FKBB c1ccc([C@H]2Oc3c(c4ccccc4c4ccccc34)[C@@H]2c2ccccc2)cc1 1715117 MTILRKCWWWZXOH-AHKZPQOWSA-N 372.467 7.259 5 40 FKBB Cc1ccc(-c2nnc(Oc3ccc(C)nc3[N+](=O)[O-])c3ccccc23)cc1 6510456 VJZCOEGXDZFFAK-UHFFFAOYSA-N 372.384 5.009 5 40 FKBB Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(C)c1 408923634 YVFZHKFLKXJPDN-RCCKNPSSSA-N 372.424 5.391 5 40 FKBB C[C@H]1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc4ccccc4c3c21 4615525 UEFMJEJRNJWASJ-HNNXBMFYSA-N 368.436 6.403 5 40 FKBB Cc1c(Cl)c(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 6549953 RDJUONOMWMAHQI-UHFFFAOYSA-N 366.156 5.109 5 40 FKBB Cc1ccc(OC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408976717 SLNSCPCOFYISMD-UHFFFAOYSA-N 370.433 5.525 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cccc(Cl)c1 5948596 HTTHSLYLWQHPLJ-UHFFFAOYSA-N 365.841 5.320 5 40 FKBB CN(Cc1cccc(Cl)c1)Cc1cc(=O)oc2ccc3ccccc3c12 58167075 TVZKXSHRBIMPHP-UHFFFAOYSA-N 363.844 5.232 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 1032087 CZOFVYJZMGVWOA-UHFFFAOYSA-N 366.760 5.849 5 40 FKBB CC(C)(C)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 22120188 UMDUHWZGYGAAJC-UHFFFAOYSA-N 357.797 5.263 5 40 FKBB O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc12 66111486 PZXKXPGUQKOESU-UHFFFAOYSA-N 367.767 5.017 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2cccc(Cl)c2)o1 846052 FEDDOBSSMLIUAB-UHFFFAOYSA-N 374.783 5.317 5 40 FKBB O=[N+]([O-])c1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)c(Cl)c1 14807122 BPKNOBFSSXMNSR-UHFFFAOYSA-N 365.172 5.136 5 40 FKBB Cc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C 408975451 KLKJVPPGKKNDGD-UHFFFAOYSA-N 366.424 5.133 5 40 FKBB COc1ccc(N(C)C(=S)Nc2ccc3cc4ccccc4nc3c2)cc1 6714406 RNNUOCBLUHVBPM-UHFFFAOYSA-N 373.481 5.230 5 40 FKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 3019720 ZQWHPHLNICIYMU-UHFFFAOYSA-N 360.800 6.130 5 40 FKBB O=[N+]([O-])c1ccc(N2CCCCCC2)cc1Sc1nc2ccccc2[nH]1 4703747 FWQNXDJMGFGPJN-UHFFFAOYSA-N 368.462 5.003 5 40 FKBB Cc1c(O)ccc2c1oc1c(-c3ccc(O)cc3)c3cnn(C(C)C)c3nc12 96115590 AFXCVPFPMWYIAB-UHFFFAOYSA-N 373.412 5.298 5 40 FKBB biogenic CC(C)c1cc(C(C)C)c(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 1662240 PSLQNERCHBBUPQ-UHFFFAOYSA-N 353.462 6.196 5 40 FKBB CCc1cccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1 2158491 GTEGTVGYUOCETE-UHFFFAOYSA-N 371.436 5.174 5 40 FKBB biogenic Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1C 6205779 LMAHEVRCISLHRT-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB Cc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 6522221 UZWSTVQDRREEEJ-UHFFFAOYSA-N 363.369 5.053 5 40 FKBB O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1NCc1cccs1 4280432 ZGEIWOYOAQNOCK-UHFFFAOYSA-N 372.060 5.882 5 40 FKBB CC[N+]1(Cc2ccccc2)CC2(CCCCC2)ON2[C@@H]1C[C@H](C)C2(C)C 5086346 YIMAFVQUBXMTKQ-BODDRMQBSA-N 357.562 5.118 5 40 FKBB Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 6275918 HXGJQFYGZVJQQF-UHFFFAOYSA-N 356.234 5.019 5 40 FKBB Cc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)cc1[N+](=O)[O-] 85345522 SXXKAPIBTPAKLW-UHFFFAOYSA-N 353.765 5.360 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 2351289 CMQQTFZYXLPAQA-PMACEKPBSA-N 366.804 5.479 5 40 FKBB Cc1cccc(OCCCn2c3ccccc3c3nc4ccccc4nc32)c1 2667998 IMJCISKKGMDTJN-UHFFFAOYSA-N 367.452 5.515 5 40 FKBB Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccc([N+](=O)[O-])cc1 4270032 BMMRUSHWOZZNFR-GOSISDBHSA-N 364.430 5.043 5 40 FKBB Brc1ccc2ccc3c(-c4ccccc4)ccc4ccc1c2c43 95093248 UHPILNVIPDIPLG-UHFFFAOYSA-N 357.250 7.014 5 40 FKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccccc2)cc1 13509811 HWSJMONUJXGRRE-UHFFFAOYSA-N 373.459 6.407 5 40 FKBB O=C1OC(c2cccc(F)c2)=N/C1=C/c1c2ccccc2cc2ccccc12 2771635 VLKHJXARYBKGPM-HYARGMPZSA-N 367.379 5.477 5 40 FKBB Cc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]c3ccccc23)c1 5753057 MZNGPHFJIPXOND-JOCHJYFZSA-N 372.428 5.289 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1C 6846298 IMTSPHNSMJFMIK-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB O=C(Oc1ccc(Cl)cc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975757 MTYZYVIXEBJFGW-UHFFFAOYSA-N 373.799 5.137 5 40 FKBB Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 6965634 SFICITAWKATJIJ-UHFFFAOYSA-N 356.234 5.019 5 40 FKBB Cc1noc(/C=C\c2ccc(OCc3ccccc3Cl)cc2)c1[N+](=O)[O-] 34719936 RUGLDHRQYDUVLF-FLIBITNWSA-N 370.792 5.294 5 40 FKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 100424222 WWVLJMPHCZALAB-FQEVSTJZSA-N 363.417 5.466 5 40 FKBB Cc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6525456 GHYIASXGNYFLOR-UHFFFAOYSA-N 363.369 5.053 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2N[C@@H](c3ccccc3)Cc3c2[nH]c2ccccc32)cc1 20111647 VKOFOVYBHNSALY-FGZHOGPDSA-N 369.424 5.053 5 40 FKBB biogenic O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(Cl)cc1[N+](=O)[O-] 44781891 UMMDENKAMOOJSW-UHFFFAOYSA-N 365.776 5.135 5 40 FKBB CCCCc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 5978637 UTBDHGVNHGXCNC-UHFFFAOYSA-N 369.446 5.108 5 40 FKBB O=C(C[C@H](Sc1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 17380411 CNRMTHVOSOKTDM-NRFANRHFSA-N 363.438 5.701 5 40 FKBB O=C(Nc1ccccc1F)c1ccc2sc3nc4ccccc4nc3c2c1 408974740 CYVCTMKMCIVKHW-UHFFFAOYSA-N 373.412 5.389 5 40 FKBB Cc1c2ccn3c(=O)c4ccccc4cc3c2c(C)c2c1[nH]c1ccccc12 1575074 NEQKPLZKRLKWIN-UHFFFAOYSA-N 362.432 5.857 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)cc1/C=C\c1ccccc1 16926218 XRQIISCOFYUANL-XSYHWHKQSA-N 372.380 5.844 5 40 FKBB O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 33876868 DPPJNYKWJDWROU-AATRIKPKSA-N 358.608 5.473 5 40 FKBB COC(=O)CCCCCCCCCC[N+]1(Cc2ccccc2)CCCCC1 4184449 UIYKQOAGTJNYOE-UHFFFAOYSA-N 374.589 5.871 5 40 FKBB O=[N+]([O-])c1cccc(N(Cc2ccc(Cl)cc2Cl)C(F)(F)F)c1 3148016 JFDVEGGOVYQDCQ-UHFFFAOYSA-N 365.138 5.428 5 40 FKBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(F)cc3)c3ccccc3n2)c1 4866953 WWWHGSITHNANJH-UHFFFAOYSA-N 360.348 5.088 5 40 FKBB Cc1cccc2c3nc4ccccc4nc3n(CCOCc3ccccc3)c12 5345232 NETYVQMMLBKELQ-UHFFFAOYSA-N 367.452 5.263 5 40 FKBB O=c1c2ccccc2oc2cc(OCc3ccc(F)cc3Cl)cc(O)c12 11865617 QFTBLPQJXRYREL-UHFFFAOYSA-N 370.763 5.023 5 40 FKBB Cc1c(NC(=S)Nc2ccc(SC(F)F)cc2)cccc1[N+](=O)[O-] 5262060 PQTUDQWWVMAVQY-UHFFFAOYSA-N 369.418 5.027 5 40 FKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 1403830 OQLJQEAPRJFGHY-UHFFFAOYSA-N 366.320 5.081 5 40 FKBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCCC1 408974755 DKESNTKHRAASRF-UHFFFAOYSA-N 361.470 5.014 5 40 FKBB CN1/C(=C/[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)C(C)(C)c2ccccc21 723814 BOWPXTOSMCABJA-IYSPOMMRSA-N 356.853 5.012 5 40 FKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN([C@@H](C)c1ccccc1)CO2 20610161 BAQFFNNJFXCQSP-INIZCTEOSA-N 371.436 5.168 5 40 FKBB biogenic Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 100506138 IFULABUKMOHPKA-HZKJCBRUSA-N 354.450 5.171 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1C 861629 SWBRCOLJNOVGCK-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB c1ccc2sc(-c3c4ccccc4cc4ccc5ccccc5c34)cc2c1 1656970 SJVMNTJUTHEADO-UHFFFAOYSA-N 360.481 8.028 5 40 FKBB in-vivo O=C(CCc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 225376197 GYIVEYDVGOJAKC-UHFFFAOYSA-N 373.623 5.126 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCSc1ccc(Cl)cc1 15410976 SEJQVQBNJXSVKN-UHFFFAOYSA-N 364.854 5.068 5 40 FKBB O=[N+]([O-])c1ccc(/C=C\c2ccc(OCc3ccccc3)cc2)cc1Cl 5181641 HKABRCYOSPZVCX-SREVYHEPSA-N 365.816 5.998 5 40 FKBB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 6242614 LGHKULJJQNERFI-UHFFFAOYSA-N 353.761 5.134 5 40 FKBB CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12 1703600 MFLXBUNGNZBRNC-UHFFFAOYSA-N 361.828 5.885 5 40 FKBB Cc1ccc(Sc2ccc(COc3ccc(F)cc3)cc2[N+](=O)[O-])cc1 4085085 DDJXLKPWSHAZPM-UHFFFAOYSA-N 369.417 5.773 5 40 FKBB CCc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774775 BYUWGHIFQZSLDK-UHFFFAOYSA-N 370.412 5.511 5 40 FKBB Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 4159916 BYVMQPIWSCYXIH-JOCHJYFZSA-N 374.465 6.261 5 40 FKBB O=C(c1ccccc1)c1cc2ccc(Cl)cc2n2c1nc1ccccc12 3183612 KTIJRYBXZMPXFC-UHFFFAOYSA-N 356.812 5.525 5 40 FKBB CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OCC[N+](C)(C)C)cc1 1758542 WTUQWTTWILGWQY-ZEQRLZLVSA-N 370.557 5.468 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1Cl)N2 222513825 SBXZOCXAKCVXBN-AFVSYHSFSA-N 354.837 5.545 5 40 FKBB O=C(CSCc1ccccc1)Nc1ccnc2c1ccc1ccccc12 40384251 KGSIYKMHHXVXOB-UHFFFAOYSA-N 358.466 5.260 5 40 FKBB c1ccc2c(c1)c1ssc3c4ccccc4c4ssc2c4c13 5669366 JIIYLLUYRFRKMG-UHFFFAOYSA-N 352.530 7.699 5 40 FKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)c1ccccc1 98071632 CTECNWJLNGCTNM-UHFFFAOYSA-N 366.804 5.095 5 40 FKBB O=C(Nc1ccc(F)cc1)c1ccc2sc3nc4ccccc4nc3c2c1 408976115 PMZSDCDXSKCFBN-UHFFFAOYSA-N 373.412 5.389 5 40 FKBB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1-c1cccc([N+](=O)[O-])c1 1205631 NUTLVDNMXHSGAY-UHFFFAOYSA-N 362.216 5.371 5 40 FKBB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[C@H]2C 4737125 WJNBIRILXAOMHB-OQRGYWNNSA-N 364.445 5.235 5 40 FKBB Cc1cc(C)n2cc(CSc3nc4ccccc4c4ccccc34)nc2n1 16283443 ANFDIRHLYJWHJR-UHFFFAOYSA-N 370.481 5.340 5 40 FKBB Cc1ccc(C)c(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1 409117948 PNVSLBLIPUEPON-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 868208 MXZILEWGMUAFKN-UHFFFAOYSA-N 353.761 5.272 5 40 FKBB Cc1ccc(N(C)C(=O)Nc2cc3ncccc3c3cccnc23)cc1C 6205619 GTQHUXOXJACAMD-UHFFFAOYSA-N 356.429 5.068 5 40 FKBB Cc1ccc(C)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)c1 409002152 YITUNBWXUUIUPB-QTJGBDASSA-N 370.452 5.683 5 40 FKBB Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c1 13125663 JXUNAVXZWSLLPW-UHFFFAOYSA-N 371.396 5.254 5 40 FKBB O=[N+]([O-])c1cccc(Oc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 58158981 IPVREYIAVZDTOB-UHFFFAOYSA-N 369.380 5.511 5 40 FKBB O=[N+]([O-])c1cc(N(c2ccccc2)c2ccccc2)c(Cl)cc1Cl 1686660 MNMDLUOJBIOCOJ-UHFFFAOYSA-N 359.212 6.371 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245377170 IFULABUKMOHPKA-GNLFOESASA-N 354.450 5.171 5 40 FKBB CCCN(CCC)C[C@@H](O)c1ccc2ccc3ccc(Cl)cc3c2c1 1592131 HPUVIGQZMVHBRT-JOCHJYFZSA-N 355.909 5.802 5 40 FKBB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 799657 VFAHEMRQCQSYPD-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB C[C@@H]1CCCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774806 WEXYLSBFOCEEKQ-RDTXWAMCSA-N 362.433 5.196 5 40 FKBB O=[N+]([O-])c1cc(/C=C(\Cl)c2nc(-c3cccs3)no2)ccc1Cl 7913299 SARONVRYCGCJCW-POHAHGRESA-N 368.201 5.097 5 40 FKBB Cc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c(C)c1 2117890 JPGDNLMDCYSQKV-UHFFFAOYSA-N 371.436 5.228 5 40 FKBB biogenic CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 100640290 HVVLTIJMIBHWSG-FQEVSTJZSA-N 363.417 5.466 5 40 FKBB Cc1ccc(Oc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 5752703 NPXAITIWFQQWHD-UHFFFAOYSA-N 373.368 5.413 5 40 FKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 72228640 YPEXAJINBSRKKD-UHFFFAOYSA-N 360.413 5.385 5 40 FKBB CC(C)c1ccc(-c2cc(-c3ccccc3)c3c(ccc4ncccc43)n2)cc1 4543855 IPVLVHZTYHAJTL-UHFFFAOYSA-N 374.487 7.240 5 40 FKBB Cc1ccc2[nH]c(SCc3cc(=O)oc4ccc5ccccc5c34)nc2c1 2657076 YHNNNAXGRJUFNK-UHFFFAOYSA-N 372.449 5.423 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 408607296 KPYJHBIUZSSNTB-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB CN(C)CCCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21 1625569 RSMAEBFKDMVQPJ-UHFFFAOYSA-N 370.452 5.006 5 40 FKBB in-vitro Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1 2274729 RUORQNFYZUCKBN-UHFFFAOYSA-N 355.397 5.627 5 40 FKBB Cc1ccccc1C1=N/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O1 4714051 FHJRSHDFSCUXAI-HAHDFKILSA-N 363.416 5.646 5 40 FKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 7848002 BSTWPOQRGYIOQB-UHFFFAOYSA-N 371.352 5.385 5 40 FKBB O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1cccc2ccccc12 59474350 OUJNNZCIFBPCLG-UHFFFAOYSA-N 364.400 5.525 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 4845651 SBXZOCXAKCVXBN-MSICBTANSA-N 354.837 5.545 5 40 FKBB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(Cl)cc1[N+](=O)[O-] 7285284 WEDZALJJWFWHHF-UHFFFAOYSA-N 364.788 5.072 5 40 FKBB c1ccc2sc(NN=c3c4ccccc4sc4ccccc34)nc2c1 8637741 VFRZHUYFEMIAFP-UHFFFAOYSA-N 359.479 5.592 5 40 FKBB O=C(Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 6589052 AQRABPDJBCCIHI-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB COC(=O)c1c(O)cccc1/C=C/c1c2ccccc2cc2ccccc12 35973649 ZAVUSCIOKBSLIB-BUHFOSPRSA-N 354.405 5.656 5 40 FKBB C/C=C1/C[N@+]2(CCCCC)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@H]42 504295468 XQRRSKKQLILQOC-AEMDRPJWSA-O 363.525 5.212 5 40 FKBB O=[N+]([O-])c1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 6538242 KQDUQHSVUHOFOE-UHFFFAOYSA-N 354.369 5.286 5 40 FKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cc3ccncc3c3ncccc23)C1 408975598 NQVSJDQFJDYTFW-QMHKHESXSA-N 374.488 5.216 5 40 FKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C 409116342 UVNPOHHFSKERFN-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 6796547 UMNMUNNZQDTETQ-UHFFFAOYSA-N 374.611 5.507 5 40 FKBB CCc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 4713039 LWBRHWNJJQAIHR-HSZRJFAPSA-N 371.440 5.513 5 40 FKBB CC[C@@H](C[N+](CC)(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1 670420457 BQOURXDHZGTRQB-QFIPXVFZSA-N 368.541 5.017 5 40 FKBB O=C(O)CCCCCCCCCc1cc2cccc3ccc4cccc1c4c32 113969640 KALWPWSSDPKDLE-UHFFFAOYSA-N 372.508 7.332 5 40 FKBB O=c1c(-c2nc3ccccc3o2)c2oc3ccccc3n2c2ccccc12 3192082 KJHAFNACRKXWKR-UHFFFAOYSA-N 352.349 5.007 5 40 FKBB OC1(c2cc3ccccc3c3ccccc23)c2ccccc2-c2ccccc21 4696710 STMBLSPAFKRMST-UHFFFAOYSA-N 358.440 6.258 5 40 FKBB CCCCc1ccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 32119236 PKLYTIKDCZWDGO-UHFFFAOYSA-N 369.446 5.108 5 40 FKBB Cc1cc(C)cc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408921602 JLLIAWGMOJAAFT-PXLXIMEGSA-N 372.424 5.391 5 40 FKBB O=C(CSc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1Cl 10440040 GHHRIWLFOVFRBV-UHFFFAOYSA-N 372.833 5.132 5 40 FKBB Brc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1 114609322 BCEMVHZPTKWHDZ-UHFFFAOYSA-N 372.265 6.699 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C)c1 408619512 IUDSBZFLSBBPKE-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB CCCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 1798971 BJXQRLVCNWYBEC-UHFFFAOYSA-N 367.452 5.575 5 40 FKBB O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(Cl)cc3)c(=S)s2)cc1 66087692 CIKHTRXBHYGSDB-UHFFFAOYSA-N 362.863 5.556 5 40 FKBB O=C(c1ccccc1)c1c2ccccc2c(-c2ccccc2)c2ccccc12 1601604 BTLWICYKBSLCSZ-UHFFFAOYSA-N 358.440 6.891 5 40 FKBB Cc1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnc(-c2ccco2)o1 5034200 FYEBIVFRLNXLQN-UHFFFAOYSA-N 371.736 5.127 5 40 FKBB O=[N+]([O-])c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Cl)cc1F 1504250461 PLDVXJJJGYVKEE-UHFFFAOYSA-N 371.620 5.477 5 40 FKBB COc1ccc2c(Cc3c4ccccc4cc4ccccc34)cncc2c1O 5640369 JHFFMOBBXABAMC-UHFFFAOYSA-N 365.432 5.846 5 40 FKBB in-vitro CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2cc3ccccc3nc2c1 33741415 PHSWWEIUZYJBPH-UHFFFAOYSA-N 365.546 5.889 5 40 FKBB Cc1cccc(C2=N/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)c1 4714064 QMHJZDCILPUMFN-HAHDFKILSA-N 363.416 5.646 5 40 FKBB O=C(O)c1cc(-c2ccc3ccccc3n2)nc2ccc3ccccc3c12 494051 XATJBJBVCNFNDV-UHFFFAOYSA-N 350.377 5.301 5 40 FKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 715475 TWBXXECVLODUSF-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)Oc1ccc(Cl)cc1Cl 2142965 KWBJNIPJXOSWBD-LZCJLJQNSA-N 372.591 5.174 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CCC=CCCC=CCC[C@H]12 1559649170 IFULABUKMOHPKA-IJXZTRCJSA-N 354.450 5.171 5 40 FKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4863614 LEWSCNXKTKAESR-UHFFFAOYSA-N 360.584 5.199 5 40 FKBB CC(C)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 1471351 CUMGSMUESNNMHR-UHFFFAOYSA-N 354.251 5.156 5 40 FKBB CCCCCC[N+](C)(CCCCCC)CC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 4727008 PGONTIIDIHNYKX-ZEQRLZLVSA-N 366.678 5.860 5 40 FKBB O=C(C[C@@H](Sc1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 1667678 CNRMTHVOSOKTDM-OAQYLSRUSA-N 363.438 5.701 5 40 FKBB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)sc2c1 863003 QEYUPJZQEXWNBH-UHFFFAOYSA-N 360.822 5.332 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 2351287 CMQQTFZYXLPAQA-WOJBJXKFSA-N 366.804 5.479 5 40 FKBB C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[N+](=O)[O-] 4718887 GONLBFHUEGHOIP-XYOKQWHBSA-N 361.228 5.634 5 40 FKBB O=C(Nc1ccc(OC(F)F)cc1)c1cc2ccccc2c2cccnc12 48301820 AVDWSNJATZXTIH-UHFFFAOYSA-N 364.351 5.242 5 40 FKBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 223021046 PXUJMHWKWCFBQZ-IBGZPJMESA-N 372.852 5.008 5 40 FKBB O=c1c2/c(=N/Nc3ccccc3)c3ccccc3c=2c2cccc3cccc1c32 4199229 DUPPREPSJJVFPN-AZPGRJICSA-N 372.427 5.035 5 40 FKBB O=C(c1ccccc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 6784318 PKXQPXSVCWQLOC-UHFFFAOYSA-N 352.434 5.351 5 40 FKBB CCCN(Cc1ccccc1)C(=O)Nc1cc2cccnc2c2cccnc12 408975862 OKZXBFCKHIVYDU-UHFFFAOYSA-N 370.456 5.227 5 40 FKBB CC[C@H](c1ccc(OCC[N+](C)(C)C)cc1)[C@@H](CC)c1ccc(OC)cc1 1758546 WTUQWTTWILGWQY-BJKOFHAPSA-N 370.557 5.468 5 40 FKBB C[C@@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)cc3O)c2C1 100109745 LBOWYECCUMALTD-CQSZACIVSA-N 355.437 5.591 5 40 FKBB O=[N+]([O-])c1ccc2c3c1[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 4181513 UJPGVUDCJQCZFB-WOJBJXKFSA-N 370.452 5.472 5 40 FKBB Cc1c(O)ccc2c1oc1c(-c3cccc(O)c3)c3cnn(C(C)C)c3nc12 96116332 OTWUGAOAXWQNMK-UHFFFAOYSA-N 373.412 5.298 5 40 FKBB biogenic CCN(CC)CCSc1c2ccc(Cl)cc2nc2ccc(OC)cc12 4429914 SYCBXRHCSSYSTA-UHFFFAOYSA-N 374.937 5.484 5 40 FKBB O=[N+]([O-])C[C@H](c1ccc(F)cc1)c1c(-c2ccccc2)[nH]c2ccccc12 1463234 HEQSFVQQKYCQDC-LJQANCHMSA-N 360.388 5.383 5 40 FKBB COc1ccc(Cl)cc1Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2561869 MSKBDNLJBYRVQY-UHFFFAOYSA-N 361.810 5.124 5 40 FKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 72228613 BRQNMDLIZIQYFX-UHFFFAOYSA-N 353.205 5.025 5 40 FKBB CCC(CC)C[N+](C)(C)CCCCCCCC[N+](C)(C)CC(CC)CC 1775970410 LUUINOBSRNAEIQ-UHFFFAOYSA-N 370.710 6.352 5 40 FKBB CCCCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 2941539 DLAAEQVBZJKJIF-UHFFFAOYSA-N 368.462 5.042 5 40 FKBB CCCN(Cc1ccccc1)C(=O)Nc1cc2cccnc2c2ncccc12 6323825 YTEYXKIPCYVJTG-UHFFFAOYSA-N 370.456 5.227 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)[C@H]1C[C@@H]1c1ccccc1 670431820 XVZNRENGLUBDFV-MSOLQXFVSA-N 371.461 5.157 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 947298 FHDKIBQIWDGOFF-FQEVSTJZSA-N 374.415 5.691 5 40 FKBB C[n+]1c(-c2ccc(Cl)c(Cl)c2)c2cc(N)ccc2c2ccccc21 1743154 XJMPUVHYCBVVNM-UHFFFAOYSA-N 354.260 5.374 5 40 FKBB C1=Cc2ccc(o2)C=Cc2ccc(o2)C=Cc2ccc(o2)C=Cc2ccc1o2 13407224 SNLMMHOPKZIINR-UHFFFAOYSA-N 368.388 7.054 5 40 FKBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C)c(C)cc4o3)sc2c1 57352624 ZAXXJVKFPHVHGK-UHFFFAOYSA-N 354.391 5.015 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)cc2)c1 408558836 SPJUVPMYYXXNFW-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 4834545 JPXUIOIHUCVBMT-UHFFFAOYSA-N 356.385 5.257 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCc1ccccc1 20010889 SVJSSSPKKHPVLR-UHFFFAOYSA-N 370.452 5.219 5 40 FKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1 6890590 PFLUABMAOWUZRZ-UHFFFAOYSA-N 374.823 5.686 5 40 FKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc3ccccc23)o1 4893842 OTXVZNNSCAGVDG-UHFFFAOYSA-N 372.380 5.569 5 40 FKBB O=C(OCc1cccc([N+](=O)[O-])c1)/C(=C/c1cccs1)c1cccs1 3268849 SEXOCNNLRDCRRX-LFIBNONCSA-N 371.439 5.002 5 40 FKBB CCC(CC)C[N+](C)(C)CCCCCCC[N+](C)(C)CC(CC)CC 1775971380 ZKKFIJNHCVDFML-UHFFFAOYSA-N 356.683 5.962 5 40 FKBB COc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)cc1[N+](=O)[O-] 85345525 ASYJEPQMNFUQLV-UHFFFAOYSA-N 369.764 5.060 5 40 FKBB Brc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 3140797 FFIKNGMSFRQPLS-UHFFFAOYSA-N 373.253 6.299 5 40 FKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 6027990 QVXRMNBVOMGKCW-UHFFFAOYSA-N 371.270 5.804 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(Cl)c(Cl)c3)nc2c1 6784972 KSFLCNUNAFNBPH-QHHAFSJGSA-N 351.214 5.682 5 40 FKBB O=C(Nc1ccc(Nc2ccccc2)cc1)c1coc2ccc([N+](=O)[O-])cc12 408964007 BCDLJTMVJXUHBE-UHFFFAOYSA-N 373.368 5.337 5 40 FKBB O=[N+]([O-])c1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 73642151 VTJVFPOHYNFNJB-UHFFFAOYSA-N 369.174 5.319 5 40 FKBB Brc1cccc(-c2ccc3ccc4cccc5ccc2c3c45)c1 90550228 GKBHZAGJJWZFOR-UHFFFAOYSA-N 357.250 7.014 5 40 FKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 408998916 QTYGCAAHMKTJGU-PUHATCMVSA-N 372.424 5.074 5 40 FKBB O=[N+]([O-])c1cc(Cl)c2c(c1)N=NC(c1ccccc1)(c1ccccc1)O2 4146985 ZDRWWPCUZKFBMP-UHFFFAOYSA-N 365.776 5.626 5 40 FKBB COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1 408994789 JDERVXPCVJZKFN-PUHATCMVSA-N 372.424 5.074 5 40 FKBB c1ccc(N=c2c3c(ccc4ccccc43)oc3ccc4ccccc4c23)cc1 5081161 GKYIYGZMDQPORX-UHFFFAOYSA-N 371.439 7.125 5 40 FKBB C(=C\c1ccc2ccc3ccccc3c2c1)\c1ccc(-c2ccccc2)cc1 8383941 XJLVTGXMIZOVKX-KHPPLWFESA-N 356.468 7.830 5 40 FKBB Cc1cc(C)c(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 59475461 YXMSYWOXZIKFNF-UHFFFAOYSA-N 368.355 5.030 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 89262467 JFLZSIBJWXYADE-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB COc1ccc(Oc2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 3330920 QMGXMWDLFDPPBI-UHFFFAOYSA-N 373.368 5.006 5 40 FKBB O=C(CSc1nc2ccccc2c2ccccc12)Nc1ccc(F)cc1 12139480 KQFKSWKURMWRST-UHFFFAOYSA-N 362.429 5.258 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245377172 IFULABUKMOHPKA-NMVHJFFOSA-N 354.450 5.171 5 40 FKBB CCCCCCn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 2697265 IFCBHRFLKPRKMI-UHFFFAOYSA-N 371.506 5.647 5 40 FKBB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccc3ccccc3c2n1 40384452 WJONLZADIIGVIV-UHFFFAOYSA-N 368.480 6.246 5 40 FKBB CC(C)Oc1ccc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc1 96221107 DTVLKFCDNPKULE-UHFFFAOYSA-N 359.385 5.017 5 40 FKBB biogenic S=C(NCCC1=CCCCC1)Nc1ccc2cc3ccccc3nc2c1 409190615 SXWGTPJTEPCLQJ-UHFFFAOYSA-N 361.514 5.565 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245377173 IFULABUKMOHPKA-OGMFNLCPSA-N 354.450 5.171 5 40 FKBB Cc1c(OCc2ccc(C(C)(C)C)cc2)ccc2c1oc(=O)c1ccccc12 1797672 VNXOJMZFCOZMQS-UHFFFAOYSA-N 372.464 6.131 5 40 FKBB CN(Cc1csc(-c2ccccc2Cl)n1)Cc1ccccc1[N+](=O)[O-] 32825445 KXTQVHHLMIOCFS-UHFFFAOYSA-N 373.865 5.004 5 40 FKBB O=C(Nc1ccc2ccccc2c1)Nc1cc2ccncc2c2ncccc12 408975578 NJCUBCBMTFWGHR-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB O=[N+]([O-])c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 4181269 JFLJVMDQEKKXKN-NHCUHLMSSA-N 370.452 5.472 5 40 FKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3cc(Cl)ccc3[nH]2)o1 85345499 TWUBXLLNIUBDAX-UHFFFAOYSA-N 369.764 5.060 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408608034 MBXROTJGTLPPRE-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB C[n+]1c2cc3ccccc3cc2n2nc3c(cc21)c1cccc2cccc3c21 629069 HTLBAFGBDCSZTA-UHFFFAOYSA-N 358.424 5.363 5 40 FKBB Cc1c2occ(-c3ccc4c(c3)OCO4)c2cc2c1oc(=O)c1ccccc12 2151417 DCMYJFQFDQJLJI-UHFFFAOYSA-N 370.360 5.397 5 40 FKBB biogenic Cc1nn(-c2cc(Cl)ccc2Cl)c(C)c1-c1cccc([N+](=O)[O-])c1 2939883 WCHPORMHNNAMII-UHFFFAOYSA-N 362.216 5.371 5 40 FKBB Cc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2)cc1 5890797 GKJVRCJXSQBFOV-QFIPXVFZSA-N 374.465 6.261 5 40 FKBB Nc1nc2cc3nc(N)c(-c4ccccc4)cc3cc2cc1-c1ccccc1 24717010 LPUMNYCVXMFJAK-UHFFFAOYSA-N 362.436 5.281 5 40 FKBB biogenic CC1(C)COC(CCCC(=O)c2c3ccccc3cc3ccccc23)OC1 43214507 DSRMNCVXWFNTGU-UHFFFAOYSA-N 362.469 5.745 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 408609029 NNUDQQFWNPPEHB-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1c(C(=O)c2ccc([N+](=O)[O-])cc2)oc2c(Cl)cc(Cl)cc12 3134589 IYOAYCRNXVNTPS-UHFFFAOYSA-N 350.157 5.187 5 40 FKBB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cc(Cl)ccc1[N+](=O)[O-] 7961390 UEUYKCJWOFIMLH-UHFFFAOYSA-N 364.788 5.072 5 40 FKBB CCN(CC)c1cc(C)c2nc3c4ccccc4c(=O)c(C)c-3sc2c1 16678396 UUBFLNZKSBWCBR-UHFFFAOYSA-N 362.498 5.378 5 40 FKBB Cc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 1448948 XXPDUCNUQQJLEW-UHFFFAOYSA-N 353.425 5.125 5 40 FKBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CSc1ccc2ccccc2c1 3409618 IFPHZHNPJODJQL-UHFFFAOYSA-N 366.442 5.096 5 40 FKBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc13)O2 7029890 ZAXVQBGUCXEVDX-HSZRJFAPSA-N 372.424 5.278 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 22120233 SVSGIHZBMOALNS-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB Cn1c(-c2ccc(-c3ccccc3)o2)nc2c3ccccc3c3ccccc3c21 2066454 WDKGRPZDKRWORD-UHFFFAOYSA-N 374.443 6.807 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3c([N+](=O)[O-])ccc(C)c3C)o2)cc1C 33619552 AKKDHKVRCIUIKR-UHFFFAOYSA-N 364.401 5.341 5 40 FKBB Cc1ccc(-c2nn3c4cc(Cl)ccc4nc3c3ccccc23)c(C)c1 7343301 FPPPYMGITRWWQL-UHFFFAOYSA-N 357.844 5.973 5 40 FKBB O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccccn4)n3)o2)cc1 1454202 ULQUMRVXJWEDFK-UHFFFAOYSA-N 364.386 5.117 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 33900160 JLNUZZFPQJYPQF-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB O=[N+]([O-])c1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1 409193794 MNQYLKQGKXABET-UHFFFAOYSA-N 362.410 5.451 5 40 FKBB O=[N+]([O-])c1cccc(COc2ccccc2-c2nc3ccccc3s2)c1 16450648 JWUSNVKVEAEVMM-UHFFFAOYSA-N 362.410 5.451 5 40 FKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(C)C)cc1 44085529 VEPQRCFRQGSVIQ-UHFFFAOYSA-N 367.474 5.504 5 40 FKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408996575 QDAPTPQHLSFPEP-WFDRNDOFSA-N 362.473 6.015 5 40 FKBB O=C1c2ccccc2-c2c1c(-c1cccc(O)c1)nc1ccc3ccccc3c21 2057225 WSWDLQJTBLXSGW-UHFFFAOYSA-N 373.411 5.972 5 40 FKBB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 408620194 KYJPEYFOEROOSQ-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc3ccccc13)N2 226360652 XAYBXKFWNUQFAR-AHGSGWTFSA-N 370.452 6.045 5 40 FKBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1 6646006 UCFUGXJWHFZSQD-UHFFFAOYSA-N 367.792 5.559 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 8040511 OPSFIOLQUPZSPB-UHFFFAOYSA-N 363.804 5.313 5 40 FKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 12274740 JKFFDCNRKINMLK-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB Cc1noc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)c1[N+](=O)[O-] 408544794 XWVHEMJGCLUHIS-VAWYXSNFSA-N 359.385 5.065 5 40 FKBB CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 223013744 JNULBRTVMCCMIF-SFHVURJKSA-N 372.852 5.008 5 40 FKBB CCc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409115317 IPNKWUJTUQWGCC-UHFFFAOYSA-N 362.429 5.348 5 40 FKBB O=[N+]([O-])C[C@@H](c1ccco1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 946563 JMZXFYPBMSIYJC-INIZCTEOSA-N 366.804 5.490 5 40 FKBB Cc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 828586 SWTIZKROMCUJDH-UHFFFAOYSA-N 362.385 5.256 5 40 FKBB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 2159353 XMOGEIDPENPDBR-UHFFFAOYSA-N 366.420 6.299 5 40 FKBB Cc1c(-c2ccccc2)n(-c2ccccc2)c2nc3c4ccccc4ccc3n12 2454232 VKFZQRZCAGSXFZ-UHFFFAOYSA-N 373.459 6.407 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccccc3C(F)(F)F)nc2c1 13137652 KKUIPDQDBHILGK-VMPITWQZSA-N 350.321 5.394 5 40 FKBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 408609861 PEQJZIWJSGAHOC-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccccc3)c12 5017195 OVOWYTNISVMFDJ-UHFFFAOYSA-N 353.425 5.125 5 40 FKBB CC(=O)OCCCC/C(=C\c1cc2ccccc2c2ccccc12)[N+](=O)[O-] 8627260 ZPDYAHMIKLXMBU-XDJHFCHBSA-N 363.413 5.344 5 40 FKBB CCCCOc1ccc2ccccc2c1/C=C/c1onc(C)c1[N+](=O)[O-] 408544860 VRJCUJKBUISYHF-ZRDIBKRKSA-N 352.390 5.394 5 40 FKBB COc1ccc(NC(=S)Nc2ccc3cc4ccccc4nc3c2)cc1 409188126 AXGULGMQDIKBCI-UHFFFAOYSA-N 359.454 5.206 5 40 FKBB Cc1ccc(C)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1 409002153 YITUNBWXUUIUPB-XWGVYQGASA-N 370.452 5.683 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3Cl)cc2)cc1 409181664 FTYGACWOCVUEEW-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1ccc(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4376856 PFFYFNYHJJAZOY-QFIPXVFZSA-N 374.465 6.261 5 40 FKBB in-vitro Cc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c1 949081 WETCGEHLNFAVEP-UHFFFAOYSA-N 356.385 5.257 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2)c1cccs1 1097321 YKOKLYWFULXSFU-UHFFFAOYSA-N 364.382 5.185 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1Cl)N2 4845652 SBXZOCXAKCVXBN-IJOGARHTSA-N 354.837 5.545 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 9141742 SPVGGOBRLAJNFT-RMKNXTFCSA-N 358.825 5.332 5 40 FKBB Brc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 29135680 HHXVSAUGIJTHMT-UHFFFAOYSA-N 373.253 6.299 5 40 FKBB C[n+]1c(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc2ccccc21 4747295 JFTXMRYTHCWIKJ-OUKQBFOZSA-N 357.389 5.003 5 40 FKBB O=[N+]([O-])c1c(Cl)sc(SCc2ccc(Cl)cc2)c1[N+](=O)[O-] 5253062 MMZDLKRGOGOJAN-UHFFFAOYSA-N 365.219 5.164 5 40 FKBB C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C12CC3CC(CC(C3)C1)C2 5940330 LJDZGYKFWNWKMV-BUBBNXEVSA-N 351.450 5.160 5 40 FKBB Brc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1 2322795 DLZGKKLYJWEZDL-UHFFFAOYSA-N 374.281 6.306 5 40 FKBB O[C@@H](CN1CCC[C@H]2CCCC[C@@H]21)c1cc2ccccc2c2ccccc12 4783040 HSYCCRRCCGGXCB-YWWLGCSWSA-N 359.513 5.681 5 40 FKBB Clc1nc2cc3c(ccc4ccccc43)cc2c2c1sc1ccccc12 7078549 XWVKRNFJEVUMQH-UHFFFAOYSA-N 369.876 7.563 5 40 FKBB CC1(C)CC(=O)c2c(-c3ccccc3)nc3ccc4ccccc4c3c2C1 3672025 LQULWDRZRTWJSN-UHFFFAOYSA-N 351.449 6.210 5 40 FKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3cc(Cl)ccc3[nH]2)o1 85345433 YYGOCVUPEIQEJA-UHFFFAOYSA-N 353.765 5.360 5 40 FKBB O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 3012555 ZJMRMHKEDQJVER-UHFFFAOYSA-N 352.302 5.088 5 40 FKBB CC[C@H](C[N+](CC)(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1 670420456 BQOURXDHZGTRQB-JOCHJYFZSA-N 368.541 5.017 5 40 FKBB O=[N+]([O-])c1cc(OCc2ccccc2)c(Cl)cc1OCc1ccccc1 306145231 RXLMXKYWJFUIQJ-UHFFFAOYSA-N 369.804 5.406 5 40 FKBB COc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2443984 OINMKXDNGVXQAQ-UHFFFAOYSA-N 373.843 5.448 5 40 FKBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(C)(C)C)cc1 13671299 UCSIMNDWRQTKDG-GFCCVEGCSA-N 360.841 5.037 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2N[C@H](c3ccccc3)Cc3c2[nH]c2ccccc32)cc1 20111651 VKOFOVYBHNSALY-FCHUYYIVSA-N 369.424 5.053 5 40 FKBB biogenic O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccccc2)n1 727240 PYCVGSMDIXWGOP-UHFFFAOYSA-N 370.433 5.813 5 40 FKBB c1ccc2c(CNCCc3c[nH]c4ccccc34)c3ccccc3cc2c1 3771338 GIQBITZEVPVPMO-UHFFFAOYSA-N 350.465 5.807 5 40 FKBB O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)ccc1Cl 6943151 APJKTTJWKZAOLM-KRXBUXKQSA-N 360.797 5.681 5 40 FKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3cc(Cl)ccc3[nH]2)o1 85345458 HOYVKSOEPCOUCD-UHFFFAOYSA-N 369.764 5.060 5 40 FKBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)cc1 1463198 FOHGGAWMVAOFGN-HXUWFJFHSA-N 372.424 5.263 5 40 FKBB Cc1[nH]c2ccccc2c1CSc1nc2ccc([N+](=O)[O-])cc2s1 59417492 MVWQATFTEXOCKM-UHFFFAOYSA-N 355.444 5.287 5 40 FKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 98072726 FBOUJYNJCTVPGA-UHFFFAOYSA-N 366.804 5.095 5 40 FKBB O=c1cc(CSc2nc3ccccc3[nH]2)c2c(ccc3ccccc32)o1 3510453 OUHPXIJSZDUCHZ-UHFFFAOYSA-N 358.422 5.115 5 40 FKBB CC(C)Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccc3ccccc3c12 9239161 WSDLVXHLCPCODX-UHFFFAOYSA-N 356.425 6.162 5 40 FKBB C[C@@H](Sc1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5462686 AOVLTKVLZJYUFK-SNVBAGLBSA-N 361.810 5.152 5 40 FKBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccc2ccccc12 72229437 LJKCTGGJCXZLNP-UHFFFAOYSA-N 361.184 5.307 5 40 FKBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc(Cl)c1 5033363 VWUCWZHPDMXRPB-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 6575748 DAKAXKLZVBXXIP-OAQYLSRUSA-N 360.438 5.953 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(ccc3ccccc32)o1 218495656 FRYZCYKAOXQMIL-UHFFFAOYSA-N 366.760 5.400 5 40 FKBB O=C(c1ccccc1)c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 6866896 MTGOYEZGFKKASL-FQEVSTJZSA-N 372.424 5.315 5 40 FKBB O=[N+]([O-])c1ccc2nc(NC3CCCCC3)c(NC3CCCCC3)nc2c1 3024824 XSTWPTLSYGCQHV-UHFFFAOYSA-N 369.469 5.027 5 40 FKBB CCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8071989 SWZJABUKUBTNQQ-WYMLVPIESA-N 362.385 5.069 5 40 FKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2146424 QBPSOCXHLCGWEQ-UHFFFAOYSA-N 352.393 5.991 5 40 FKBB O=C(Nc1cccc2ccccc12)Nc1cc2ccncc2c2ncccc12 408975820 NXTHQPGDLVFUSF-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB CC(C)Oc1ccc(C(=O)Nc2ccnc3c2ccc2ccccc23)cc1 40384271 YSOLUDMQAMYUJG-UHFFFAOYSA-N 356.425 5.428 5 40 FKBB c1ccc(C[N+]23CCC(CC2)C(=C(c2ccccc2)c2ccccc2)C3)cc1 1814105 VZTZXAXVZOQWKG-UHFFFAOYSA-N 366.528 5.929 5 40 FKBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 44087596 XOHPULOTOTVTGQ-UHFFFAOYSA-N 359.838 5.213 5 40 FKBB C[C@@H](c1ccc(Br)cc1)[N@+]1(C)SC(=S)C2=C1CCCC2 254441533 QTAXHJNAQOPSCS-VOJFVSQTSA-N 369.373 5.774 5 40 FKBB CCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 4713038 LWBRHWNJJQAIHR-QHCPKHFHSA-N 371.440 5.513 5 40 FKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 100640291 HVVLTIJMIBHWSG-HXUWFJFHSA-N 363.417 5.466 5 40 FKBB c1ccc(-c2c3ccccc3cc3c4ccccc4c4ccccc4c23)cc1 2077477 RYKYNJYYTPFERN-UHFFFAOYSA-N 354.452 7.966 5 40 FKBB COc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 409189696 RNMVREFFYFGTKY-UHFFFAOYSA-N 352.371 5.140 5 40 FKBB O=C(c1cccc([N+](=O)[O-])c1)N(c1ccccc1)c1ccc2ccccc2c1 711055 RYDRBVNYIUCHBV-UHFFFAOYSA-N 368.392 5.727 5 40 FKBB CCCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 5123990 IJASLMAYUNTSIK-VXPUYCOJSA-N 353.447 5.157 5 40 FKBB CCCCCCOc1ccc(OCCCC[N+]2(CC)CCCCC2)cc1 5492415 ZQAPQVSSNPMIOX-UHFFFAOYSA-N 362.578 5.825 5 40 FKBB COc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 9239124 NQIJKZQYPNHYHO-UHFFFAOYSA-N 361.444 6.731 5 40 FKBB Cc1ccc(C)c(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1 409109763 KVPGEIXBTOLELG-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB COc1ccc(-c2c3ccccc3c(OC(C)=O)c3cc(OC)ccc23)cc1 1673515 UVFUPDZZCQXOSQ-UHFFFAOYSA-N 372.420 5.603 5 40 FKBB Cc1ccccc1-c1nc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4860078 DDRVKSHEBBMYBF-UHFFFAOYSA-N 357.369 5.306 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1[N+](=O)[O-] 12274725 BWYKSWWMTNLNBA-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc2ccccc12 17130801 UUJISCCAAYTEAU-LCUIJRPUSA-N 364.404 5.071 5 40 FKBB O=S(=O)(Nc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1 1573337 HYVGZKMKDJGPNL-UHFFFAOYSA-N 357.434 5.385 5 40 FKBB CN1/C(=C\[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)C(C)(C)c2ccccc21 13040946 BOWPXTOSMCABJA-VUFYJBQKSA-N 356.853 5.012 5 40 FKBB CC[C@@H](C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 107711017 JYVAWFNUYMPGBS-CQSZACIVSA-N 364.401 5.621 5 40 FKBB Brc1cccc(-c2nc3ccccc3c3nc4ccccc4n23)c1 625701 HFAYLYFBUIBCSY-UHFFFAOYSA-N 374.241 5.465 5 40 FKBB CCOc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(Cl)c1O 5897268 DMNDXSCVQRPLAD-SOFGYWHQSA-N 370.792 5.071 5 40 FKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 3555215 FMOVDJUOBJTEEX-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB O=C(C[C@@H](SCc1ccco1)c1ccc([N+](=O)[O-])cc1)c1cccs1 4071780 ZKCAYAPRWQOUJQ-GOSISDBHSA-N 373.455 5.497 5 40 FKBB c1ccc2c(c1)nc(CCc1c[nH]c3ccccc13)n1c3ccccc3nc21 7986562 AZVBPEVWGRQUNW-UHFFFAOYSA-N 362.436 5.302 5 40 FKBB Cc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c1C 9109494 GPEUAUDOXPXHBD-UHFFFAOYSA-N 370.412 5.565 5 40 FKBB O=C(CSc1nc2ccccc2c2ccccc12)c1ccc(Cl)cc1 22636430 XVNBEZGNVSWWKV-UHFFFAOYSA-N 363.869 6.016 5 40 FKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1 994514 KHFOKKUNBCGSBC-OVCLIPMQSA-N 360.369 5.039 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Oc1cccc(C)c1 949627 WDAHOWCFOGSKSN-UHFFFAOYSA-N 357.409 5.665 5 40 FKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)cc1 4257801 USUFDKCOTRMHQA-NRFANRHFSA-N 361.376 5.090 5 40 FKBB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408601513 KJIOMLYUFKYOHG-GDNBJRDFSA-N 366.760 5.001 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c(C(F)(F)F)c1 1711049 ZQUVMGUQQKVQBV-UHFFFAOYSA-N 362.101 5.168 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccccc1CC 1768287 MDHQMFPHQMYTQA-UHFFFAOYSA-N 370.452 5.871 5 40 FKBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(C)(C)C)cc1 13671300 UCSIMNDWRQTKDG-LBPRGKRZSA-N 360.841 5.037 5 40 FKBB O=[N+]([O-])c1ccc2nc(NC3CCCCCCCCCCC3)sc2c1 59461256 GQKDUTDMHVAMIR-UHFFFAOYSA-N 361.511 6.290 5 40 FKBB CCCCNCC(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 1726384 DDBIEUAVUVJSCV-UHFFFAOYSA-N 356.469 5.474 5 40 FKBB Cc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 5739000 ORVYWJKABPWVDR-UHFFFAOYSA-N 364.426 5.307 5 40 FKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1Cl 18197699 GOQMLRYYYLYGFP-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB c1ccc2sc(-c3c4ccccc4cc4c3ccc3ccccc34)cc2c1 1654326 PUKTVQWSIXMMPH-UHFFFAOYSA-N 360.481 8.028 5 40 FKBB O=[N+]([O-])c1cccc(-c2nc(Nc3cccc(F)c3)c3ccccc3n2)c1 4311803 JQVIAOONVJMVQT-UHFFFAOYSA-N 360.348 5.088 5 40 FKBB Cc1cc(C)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(C)c1 57316084 DSYOYKCEOHDTAZ-UHFFFAOYSA-N 374.849 5.640 5 40 FKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1ccccc1)c1c[nH]c2ccccc12 408567755 HIOXTOAMCBMHEF-OAQYLSRUSA-N 372.424 5.156 5 40 FKBB Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C)c2)cc1 1868339 IGELUKYIZVXODU-UHFFFAOYSA-N 361.397 5.406 5 40 FKBB Cc1cc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)cc1[N+](=O)[O-] 1504250473 RHPCZLFCWPKHSE-UHFFFAOYSA-N 351.202 5.132 5 40 FKBB Oc1ccc(-c2c3ccccc3c(-c3ccc(O)cc3)c3ccccc23)cc1 1633336 OPKQAOBTBQLNCB-UHFFFAOYSA-N 362.428 6.738 5 40 FKBB CCCCn1c(-c2ccc(OC)cc2)cn2c3ccc4ccccc4c3nc12 2258780 VBIJFCIUBRNCFQ-UHFFFAOYSA-N 369.468 5.918 5 40 FKBB CC(C)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 31904098 JSFSBUXFRVNOGI-UHFFFAOYSA-N 357.409 5.322 5 40 FKBB O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 711144 LLARRESJTDDKCG-UHFFFAOYSA-N 368.389 5.137 5 40 FKBB COc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 5021852 GCYSBPOBEHPEQO-UHFFFAOYSA-N 353.425 5.103 5 40 FKBB O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1cccc(Cl)c1 408978168 YOJUZYDJNFKVKT-UHFFFAOYSA-N 372.815 5.170 5 40 FKBB O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)c1 26423051 ODKLXMOVSHOBSQ-UHFFFAOYSA-N 365.336 5.129 5 40 FKBB CCCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408554780 DHESKBXXNIDISU-UHFFFAOYSA-N 364.829 5.048 5 40 FKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3O)n2)c1 95482119 KOPWXAGTCIUZMF-UHFFFAOYSA-N 358.353 5.289 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(F)cc1)N2 408992804 CCPOPUAGVRGCOX-ILWGZMRPSA-N 360.388 5.205 5 40 FKBB CCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 1448957 CMZVJNBKHRKFJU-UHFFFAOYSA-N 367.452 5.493 5 40 FKBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 10111729 CEZWHCSJOSPREB-LBPRGKRZSA-N 360.841 5.037 5 40 FKBB O=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 226302655 VDVNRBYYISUGDG-UHFFFAOYSA-N 351.402 5.135 5 40 FKBB O=[N+]([O-])c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)ccc12 6509709 FXRBLNNXMQZZQH-FNORWQNLSA-N 366.245 5.009 5 40 FKBB Cc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)c([N+](=O)[O-])c1 85345460 WTEZVQNDCSZFPM-UHFFFAOYSA-N 353.765 5.360 5 40 FKBB CCOc1cc2nc3c4ccccc4n(CC(C)C)c3nc2cc1OCC 1307133 IBIVYEACFIQUIY-UHFFFAOYSA-N 363.461 5.191 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc3ccccc13)N2 250517663 XAYBXKFWNUQFAR-UJBQXCJOSA-N 370.452 6.045 5 40 FKBB COC(=O)c1cc2cc3c4ccccc4ccc3[n+](-c3ccccc3)c2s1 16194082 NHSMNYBMFZHALE-UHFFFAOYSA-N 370.453 5.271 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(F)cc1 953638 MEWLTGTYXJSJGY-UHFFFAOYSA-N 360.388 5.447 5 40 FKBB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 3428375 UTHMQVBZJBCBED-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB CC(C)Oc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 2668003 ASRWCPHGMMCNQA-UHFFFAOYSA-N 367.452 5.573 5 40 FKBB O=C(CCc1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 225358141 GMAYMIWJEXFAJQ-UHFFFAOYSA-N 373.623 5.126 5 40 FKBB CC(C)(C)CC(C)(C)NC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975167 IQMJSZBPGNNNGS-UHFFFAOYSA-N 374.488 5.209 5 40 FKBB O=c1c([N+](=O)[O-])c(Sc2ccccc2)c2ccccc2n1-c1ccccc1 704376 QAGQNPUHRQZFOY-UHFFFAOYSA-N 374.421 5.050 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1Cl)N2 4845649 SBXZOCXAKCVXBN-CBBVRRJISA-N 354.837 5.545 5 40 FKBB C/C=C1\C[N@+]2(CCCCC)CC[C@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@H]42 1772493149 XQRRSKKQLILQOC-BXXBVNAZSA-O 363.525 5.212 5 40 FKBB CCOC(=O)/C=C/c1c2ccccc2c(/C=C/C(=O)OCC)c2ccccc12 39097055 AHPXBDYNDZUWSS-WXUKJITCSA-N 374.436 5.146 5 40 FKBB Cc1noc(/C=C\c2cccc(OCc3ccccc3Cl)c2)c1[N+](=O)[O-] 408541647 DVTURLPOIPLNCM-KTKRTIGZSA-N 370.792 5.294 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)[C@@H]1C[C@@H]1c1ccccc1 670431821 XVZNRENGLUBDFV-QZTJIDSGSA-N 371.461 5.157 5 40 FKBB CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc([N+](=O)[O-])c1 6347679 SSEQXKABEATDSF-UHFFFAOYSA-N 357.479 5.651 5 40 FKBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 44087332 YJSQLQXJRRXNCB-UHFFFAOYSA-N 359.838 5.213 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1C 8550719 MJABHEFSQVKYAF-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB CCCOc1ccc(-c2c3c(nc4ccc5ccccc5c24)CCCC3)cc1 2192747 ZGEFEYAGTSIOTO-UHFFFAOYSA-N 367.492 6.723 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C)c1 6843804 BQJHODIKRBYMKW-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 22120229 KZVDYRMJVVEJOJ-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 408607365 LHRLAYSVFJPIHM-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc1 96115061 FVZZKNPBQBTEIR-UHFFFAOYSA-N 373.412 5.293 5 40 FKBB biogenic CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3ccccc3nc2c1 6615115 SRLDCTPHMZJXOJ-UHFFFAOYSA-N 366.534 5.284 5 40 FKBB O=[N+]([O-])c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 4181270 JFLJVMDQEKKXKN-SFTDATJTSA-N 370.452 5.472 5 40 FKBB Cc1cc2nc(Nc3nc4c(C)cc([N+](=O)[O-])cc4s3)oc2cc1C 57352711 ZVQDXCMYJHHBKO-UHFFFAOYSA-N 354.391 5.015 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1OCc1ccccc1 2037880083 VXYWPZDAZWMQIM-UHFFFAOYSA-N 355.777 5.620 5 40 FKBB O=C(C[C@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1cccs1 844675 CTFKARBVOMDLRK-SFHVURJKSA-N 373.455 5.497 5 40 FKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 100840858 BFDVPZJLBQDGJW-DQRAZIAOSA-N 373.437 5.346 5 40 FKBB O=C(CSc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 33560681 VYXYWDFDBYVYOD-UHFFFAOYSA-N 372.833 5.132 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccccc2)cc1 1463163 FSVWRTSQMQZVES-FQEVSTJZSA-N 356.425 5.552 5 40 FKBB Cc1ccc(C)c(Nc2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])c1 4321149 VSTHUNGJSQORMU-UHFFFAOYSA-N 363.421 5.106 5 40 FKBB CC(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 3107720 ANKZXOYLAKERJM-UHFFFAOYSA-N 367.430 5.094 5 40 FKBB CC(C)(C)CC(C)(C)NC(=S)Nc1cc2cccnc2c2cccnc12 408978432 ZXMYWRJKIAZNIW-UHFFFAOYSA-N 366.534 5.284 5 40 FKBB O=C(Nc1ccccc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 2652233 WNRNJHRSQNYLBE-UHFFFAOYSA-N 366.804 5.091 5 40 FKBB O=c1c2ccccc2oc2cc(OCc3c(F)cccc3Cl)cc(O)c12 5397833 ULTQCSCHIAZDNH-UHFFFAOYSA-N 370.763 5.023 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc3ccccc13)N2 250517660 XAYBXKFWNUQFAR-LBSWEZJRSA-N 370.452 6.045 5 40 FKBB O=[N+]([O-])c1ccc(CSc2c(-c3ccccc3)nc3ccccn23)cc1 4114734 CBPUDRGQCJDDMF-UHFFFAOYSA-N 361.426 5.202 5 40 FKBB c1ccc([C@@H]2Oc3c(c4ccccc4c4ccccc34)[C@H]2c2ccccc2)cc1 1715116 MTILRKCWWWZXOH-VPUSJEBWSA-N 372.467 7.259 5 40 FKBB CC[C@H](C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 107711020 JYVAWFNUYMPGBS-AWEZNQCLSA-N 364.401 5.621 5 40 FKBB Cc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 1825126 WNFAOOPFUQOXTB-UHFFFAOYSA-N 371.439 6.575 5 40 FKBB CCCCCCC1CCC(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CC1 4592050 XEWVNUKDJVGXGH-UHFFFAOYSA-N 357.454 5.889 5 40 FKBB O=[N+]([O-])c1ccc(Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])c1 4721930 VKVJHZVCLNIGPA-UHFFFAOYSA-N 350.286 5.195 5 40 FKBB Cc1cc(Nc2cccc(C(F)(F)F)c2)c2ccc3ccccc3c2n1 6235773 UQQALKVAJPGLRV-UHFFFAOYSA-N 352.359 6.459 5 40 FKBB CC(C)(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 4016356 DCPPYIMPHSNDTD-UHFFFAOYSA-N 354.450 5.442 5 40 FKBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])ccc1Cl 4853195 CLBDRFSPNGNVNF-UHFFFAOYSA-N 366.760 5.400 5 40 FKBB Cc1c(-c2ccc(O)cc2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 6367464 MUVYTQHLCJSTSC-UHFFFAOYSA-N 356.381 5.491 5 40 FKBB COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]21 409000642 URBSFMIUKKSVBR-OIBXWCBGSA-N 372.424 5.074 5 40 FKBB CC(=O)Oc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1 1656972 PRTBMXPSPAIUIK-UHFFFAOYSA-N 362.428 6.739 5 40 FKBB CCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 5345738 BVGDSBYIIRFRQG-UHFFFAOYSA-N 367.452 5.493 5 40 FKBB O=[N+]([O-])c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)sc2c1 6226596 LVZMLABAWRMSJJ-DUXPYHPUSA-N 372.274 5.070 5 40 FKBB O=[N+]([O-])c1ccc(OCc2cc(Cl)ccc2OC(F)F)c(Cl)c1 3305825 KLLZUKDDNQDPDP-UHFFFAOYSA-N 364.131 5.082 5 40 FKBB Cc1cc(C)c(C)c(COc2ccc3c(oc(=O)c4ccccc43)c2C)c1C 5548309 JKLLBGCBYPHEGW-UHFFFAOYSA-N 372.464 6.067 5 40 FKBB Cc1ccc2oc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 226294803 LNRVDSDGCLTHLX-UHFFFAOYSA-N 360.369 5.290 5 40 FKBB C[C@H]1CCc2c(c(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)C1 4618365 APJYNUDYZFDGML-KRWDZBQOSA-N 366.508 6.246 5 40 FKBB Cc1ccc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)cc1 2053422 YAMQJHKLIDVFHH-UHFFFAOYSA-N 373.411 5.266 5 40 FKBB Clc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1 1717154 KUHIXDFWQJQIGV-UHFFFAOYSA-N 368.827 5.560 5 40 FKBB Cc1cc2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)nc2o1 4696776 DOHSBABTASDKSC-FMIVXFBMSA-N 357.369 5.277 5 40 FKBB O=[N+]([O-])c1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccncc12 65575522 UEDOWWAWBBPDEW-LJQANCHMSA-N 353.809 5.360 5 40 FKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1 946560 RLQZMVXQWYBIFG-FQEVSTJZSA-N 372.424 5.252 5 40 FKBB CC(C)(C)c1ccc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1 2557739 RXNRNGNJXYADSX-UHFFFAOYSA-N 372.877 6.336 5 40 FKBB Cc1cccc(C)c1Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 3367004 NJQIOZOMAWIVHA-UHFFFAOYSA-N 372.475 5.099 5 40 FKBB Cc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1C 408974937 GEUQLWJSSIVSCH-UHFFFAOYSA-N 358.470 5.209 5 40 FKBB c1ccc(Cn2c(-c3ccco3)nc3c4ccccc4c4ccccc4c32)cc1 677277 BGPNHBUSVJZOLV-UHFFFAOYSA-N 374.443 6.651 5 40 FKBB COc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(OC)c1C 1456438 AKGQDYOKRDBHHO-UHFFFAOYSA-N 368.436 5.862 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2CC=C(c3ccccc3)c3nc4ccccc4n32)cc1 72332449 PSDMDUFWLOEJDF-OAQYLSRUSA-N 367.408 5.369 5 40 FKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3c(C)cc(C)cc3[nH]2)o1 85345454 CLDMPKYGABZCAJ-UHFFFAOYSA-N 363.373 5.024 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1Cl)N2 222513768 SBXZOCXAKCVXBN-NQJLJZTISA-N 354.837 5.545 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(F)cc1)N2 408992799 CCPOPUAGVRGCOX-BAGYTPMASA-N 360.388 5.205 5 40 FKBB Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C 409122212 YVKAZXAVFWGEGT-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccccc2)cc1 1463164 FSVWRTSQMQZVES-HXUWFJFHSA-N 356.425 5.552 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1Cl 4693982 GDNFHTMLVHWAQG-UHFFFAOYSA-N 365.841 5.320 5 40 FKBB aggregator O=C(Nc1ccccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991755 PRZQBZHLCAWKQS-UHFFFAOYSA-N 374.396 5.057 5 40 FKBB COc1ccc2c(c1)c(=O)oc1cc3occ(-c4ccc(F)cc4)c3cc12 2214084 YYVYJYHDXFYOOC-UHFFFAOYSA-N 360.340 5.507 5 40 FKBB CC(C)(C)c1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 1797657 WYGYTVDUIVPFQW-UHFFFAOYSA-N 358.437 5.823 5 40 FKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl 59477507 LCOZOEULNYUSOL-DHZHZOJOSA-N 368.776 5.160 5 40 FKBB O=C(c1cccs1)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 4952441 ILKPGJCHKONVGD-UHFFFAOYSA-N 372.833 5.157 5 40 FKBB Cc1ccc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 7147793 PQDKXNNMJFUOEK-ZDUSSCGKSA-N 355.419 5.115 5 40 FKBB COc1cc2ccccc2c(-c2c(O)c3ccccc3c3ccccc23)c1O 2182850 CFNRGWOMHBBAFL-UHFFFAOYSA-N 366.416 6.233 5 40 FKBB CCc1ccccc1N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 2112486 NZEJYNXXVNEDJO-UHFFFAOYSA-N 371.436 5.174 5 40 FKBB biogenic Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)Nc1ccc(Cl)cc1 6825517 SJUQHYSJDINKFZ-UHFFFAOYSA-N 356.234 5.019 5 40 FKBB O=C(NC(=S)Nc1cc2ccccc2c2ccccc12)c1ccccc1 1392595 BBKPGDUJRCAIAK-UHFFFAOYSA-N 356.450 5.120 5 40 FKBB O=[N+]([O-])c1ccc2sc(SCc3cccc(C(F)(F)F)c3)nc2c1 16398756 RZIMETQXNKYZRE-UHFFFAOYSA-N 370.377 5.516 5 40 FKBB O=[N+]([O-])c1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1 73640032 IJSJBQLPMSEGOK-UHFFFAOYSA-N 369.174 5.319 5 40 FKBB [O-][n+]1c(-c2cccc(Cl)c2)n(O)c2c3ccccc3c3ccccc3c21 6941893 UJFGCHJHIYGVBJ-UHFFFAOYSA-N 360.800 5.139 5 40 FKBB O=C(Nc1ccc(Nc2ccccc2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 95365010 WBTXNUOPKIKCBG-UHFFFAOYSA-N 372.384 5.072 5 40 FKBB O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1Sc1ccccc1 409190639 UFQILWMGCLFDSL-UHFFFAOYSA-N 364.451 6.023 5 40 FKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Cl)cc3)c2)cc1 409176299 JXDSCYLRZRQQRG-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 57315784 UVYXEERSPVJETG-DHZHZOJOSA-N 368.776 5.160 5 40 FKBB CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2O1 3344863 UXVBFTMOXMXWOR-UHFFFAOYSA-N 353.296 5.119 5 40 FKBB CCOc1ccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)cc1 4118923 JIWUQRASLKGCTG-UHFFFAOYSA-N 353.465 6.333 5 40 FKBB O=[N+]([O-])c1ccc(-c2nc(Nc3ccccc3)cc(-c3ccccc3)n2)cc1 5800204 TVDRXJACBQDOEV-UHFFFAOYSA-N 368.396 5.462 5 40 FKBB Cc1nc(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])oc1C 22406304 ORUQWZUPJFHDFD-UHFFFAOYSA-N 352.721 5.023 5 40 FKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccccc1Oc1ccccc1 4078813 MGPLRVITZMBESN-ZRDIBKRKSA-N 366.398 5.101 5 40 FKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc2ccccc2o1 4332271 HSIXXTJTKYXOCS-UHFFFAOYSA-N 370.360 5.049 5 40 FKBB COC(=O)c1ccc(CSc2nc3ccccc3c3ccccc23)cc1 72414063 AHUKPMSBRAMWCY-UHFFFAOYSA-N 359.450 5.467 5 40 FKBB O=[N+]([O-])/C(=C\c1ccc(-c2ccccc2Br)o1)c1ccccc1 667071 IEDNCYWHLOLCLK-ATVHPVEESA-N 370.202 5.484 5 40 FKBB O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1 408559195 XWHXMFNEBMYAMC-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(C)cc1 706912 HNXYOVVPIPGWKH-UHFFFAOYSA-N 356.425 5.617 5 40 FKBB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 19164939 CYGWZBHOYVFDGE-CQSZACIVSA-N 364.401 5.621 5 40 FKBB CC(=O)c1ccc(Oc2ccc(-c3csc(C)n3)cc2F)c([N+](=O)[O-])c1 30518926 RLNFDJLCRSYHFN-UHFFFAOYSA-N 372.377 5.161 5 40 FKBB CCN(CC)CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12 4522711 FNMJKKXIWWEEBQ-UHFFFAOYSA-N 374.937 5.130 5 40 FKBB O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 1066337 MZLGOSZBRAYDTH-UHFFFAOYSA-N 364.426 5.139 5 40 FKBB Cn1ccc(/C=C/c2c3ccccc3cc3ccccc23)c2ccc(=O)cc1-2 6505146 ITEHXPIGQUZEGI-ZRDIBKRKSA-N 361.444 5.967 5 40 FKBB CCc1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921356 GSOSQLQAINEDGG-LTGZKZEYSA-N 372.424 5.337 5 40 FKBB Cc1ccc(C)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 21595454 VZWAAOAGTQUXDE-UHFFFAOYSA-N 360.822 5.332 5 40 FKBB O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)cc1 36293508 QCKSEMGGVDYCPU-UHFFFAOYSA-N 365.458 5.376 5 40 FKBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccc2ccccc2c1 787723 RSJRAQIOROBESS-UHFFFAOYSA-N 368.392 5.727 5 40 FKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(C2CCCCC2)cc1 4503117 MGBUSBSAVVUIMY-NTEUORMPSA-N 351.402 5.261 5 40 FKBB O[C@@H](c1cc(-c2ccccc2)nc2c1ccc1ccccc12)[C@H]1CCCCN1 1729660 QEFWYSWSVVMRHO-RDGATRHJSA-N 368.480 5.231 5 40 FKBB in-vitro O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C2CCCCC2)cc1 3295971 UZJKYMWIZMSDRI-UHFFFAOYSA-N 373.836 5.558 5 40 FKBB Cc1ccc(N(C)C(=S)Nc2cc3ncccc3c3cccnc23)cc1C 408974667 GKJGEGOGEZPJQK-UHFFFAOYSA-N 372.497 5.233 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)[C@@H]1C[C@H]1c1ccccc1 670431823 XVZNRENGLUBDFV-ZWKOTPCHSA-N 371.461 5.157 5 40 FKBB O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccccc2)c1 44085351 WOIFQLXCNJZBIE-UHFFFAOYSA-N 365.458 5.482 5 40 FKBB COc1ccc(-c2c3c(nc4ccc5ccccc5c24)CCCC3=O)cc1 1440365 MLTWXEUJMBLLPZ-UHFFFAOYSA-N 353.421 5.583 5 40 FKBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)c1 828693 XMLAKPRDMZAYJF-QHCPKHFHSA-N 356.425 6.242 5 40 FKBB Cc1ccc(Sc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1 408543514 PPHOSSCVEKFTPO-KPKJPENVSA-N 352.415 5.521 5 40 FKBB CC(=C=CC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1)CCC=C(C)C 4714398 CYFLECHGWREYBU-UHFFFAOYSA-N 357.450 5.626 5 40 FKBB Cc1nc(Cl)c(Br)c(-c2ccc(Cl)cc2)c1[N+](=O)[O-] 96511241 BKSJZAYROMNSIZ-UHFFFAOYSA-N 362.010 5.035 5 40 FKBB COc1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1 3449594 RRXGOJKETLOZEO-UHFFFAOYSA-N 373.368 5.006 5 40 FKBB CC(C)n1nc(O)c2c(-c3cccs3)c3oc4cc(O)ccc4c3nc21 79488714 YHKXLILHVHQINN-UHFFFAOYSA-N 365.414 5.051 5 40 FKBB COc1c(Cl)cc(Cl)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 216731258 LBLLWJACRMQYSG-UHFFFAOYSA-N 353.161 5.027 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(-c2nc3ccccc3s2)o1 409193706 LKPTZGACKPNCKI-UHFFFAOYSA-N 356.790 5.785 5 40 FKBB Cc1ccc(C)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1 409002151 YITUNBWXUUIUPB-NHTMILBNSA-N 370.452 5.683 5 40 FKBB CC(C)C(=O)Oc1ccc2ccccc2c1Sc1ccccc1[N+](=O)[O-] 3184231 VSJCBULZKCIAPY-UHFFFAOYSA-N 367.426 5.461 5 40 FKBB O=[N+]([O-])c1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 1563993 OSWHDWOIBKBEIH-UHFFFAOYSA-N 361.220 5.148 5 40 FKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cc3cccnc3c3cccnc23)C1 408975876 OQNYSIDMFZSHPJ-QMHKHESXSA-N 374.488 5.216 5 40 FKBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(Cl)cc1 5033361 OTEJGDBOZQWMRP-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 409000449 YVTMTKFXHAOUTO-ASTIPKKCSA-N 354.837 5.545 5 40 FKBB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 5032140 AXOMXJSPGGYEAK-UHFFFAOYSA-N 368.414 5.041 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccco2)cc1/C=C\c1ccco1 5080536 JSPPUGNDSZAGJA-SFECMWDFSA-N 352.302 5.030 5 40 FKBB Cc1noc(/C=C\c2ccc(-c3ccccc3C(F)(F)F)o2)c1[N+](=O)[O-] 408542107 HCQGMFYXAMZUSE-CLFYSBASSA-N 364.279 5.340 5 40 FKBB Cc1ccc(C(C)C)c(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)c1 5539222 ZKWQXENPOVTTSR-UHFFFAOYSA-N 371.462 5.127 5 40 FKBB O=c1c2ccccc2c2ncc(-c3ccc(F)cc3)c3c4ccccc4n1c23 6624630 RJKVFRKPLGNCIV-UHFFFAOYSA-N 364.379 5.398 5 40 FKBB biogenic Cc1cc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C 226294813 TXQVKVIZQYVVNR-UHFFFAOYSA-N 374.396 5.599 5 40 FKBB Cc1c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cccc1[N+](=O)[O-] 408617666 DAYPCHVSSMPEHH-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB CC(C)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 44085347 KKBYFYQWNUAMJQ-UHFFFAOYSA-N 353.447 5.196 5 40 FKBB CC(=O)N1c2cc(C)c([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C 4844054 GSSOWLTYKZBCRE-UHFFFAOYSA-N 366.489 5.024 5 40 FKBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cc(Br)cs3)nc12 5155791 MKSFVFUDANILQR-VOTSOKGWSA-N 361.220 5.137 5 40 FKBB O=C(Nc1cccc(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315737 RKYHMHPLFMUWHA-UHFFFAOYSA-N 367.213 5.369 5 40 FKBB CCOC(=O)CCCCCCC(=O)c1cc2ccccc2c2ccccc12 2580586 GEJMVDOTFHRTPK-UHFFFAOYSA-N 362.469 6.079 5 40 FKBB CCC[N+]1(CCC2CCC(CC[N+]3(CCC)CCCC3)CC2)CCCC1 1775964855 ILLZBFWTQTVHKD-UHFFFAOYSA-N 364.662 5.614 5 40 FKBB S=C(Nc1ccccc1Cl)Nc1cc2ncccc2c2cccnc12 408974831 HFRBKUMNIHKBLO-UHFFFAOYSA-N 364.861 5.245 5 40 FKBB O=[N+]([O-])c1ccc([C@H](Nc2cccnc2)Sc2ccc(Cl)cc2)cc1 1061000 UBKKSRKBIVIXGI-GOSISDBHSA-N 371.849 5.546 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1C 107640064 JAIUFUMBXYQBSA-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 1786450 DUUHRLJSNIXIHI-UHFFFAOYSA-N 352.393 5.991 5 40 FKBB Cc1cc(C)c2oc(Nc3nc4c([N+](=O)[O-])cc(C)cc4s3)nc2c1 57352627 OYWAIAWUEXYEGT-UHFFFAOYSA-N 354.391 5.015 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Cl)cccc12 9141727 QZOFCJCYRSXELZ-UHFFFAOYSA-N 361.184 5.307 5 40 FKBB Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] 408542621 KQTALKORRQISET-WDZFZDKYSA-N 370.792 5.294 5 40 FKBB c1cc2cc3c(cc2c2cc4c(cc12)C[N+]1(CCCC1)C4)C[N+]1(CCCC1)C3 1201109 DLMAUVZHWCIJSL-UHFFFAOYSA-N 370.540 5.241 5 40 FKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 5670799 LHXSZFFCIQIFEH-UHFFFAOYSA-N 360.584 5.199 5 40 FKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cc3ncccc3c3cccnc23)C1 408976584 RQYUVXAECPRQHN-NPMXOYFQSA-N 374.488 5.216 5 40 FKBB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 1053142 NCEYYJSNUUSEAB-FMIVXFBMSA-N 362.385 5.124 5 40 FKBB Cc1cc(NCCCN(C)C)c2cc3ccc4cccc5ccc(c2n1)c3c45 1573592 UFACKJKXGIGNDW-UHFFFAOYSA-N 367.496 5.804 5 40 FKBB COc1ccc(-c2coc3cc4oc(=O)c5cc(OC)ccc5c4cc23)cc1 2121742 IJEKXFHVLVHLRN-UHFFFAOYSA-N 372.376 5.377 5 40 FKBB biogenic O=[N+]([O-])c1cc(-c2csc(-c3cccc(Cl)c3)n2)sc1Cl 2150788 DZSJDOWOYUNKTD-UHFFFAOYSA-N 357.243 5.754 5 40 FKBB O=C(Nc1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 6529786 RGUGMMMSCQHUGD-UHFFFAOYSA-N 367.792 5.618 5 40 FKBB COc1c(Cl)cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Cl 226239743 HBEONOSIZFPKKR-UHFFFAOYSA-N 353.161 5.027 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 13477886 IFULABUKMOHPKA-NWVGPWBMSA-N 354.450 5.171 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 14258316 LJWYGBYBYCFQAF-UHFFFAOYSA-N 359.596 5.116 5 40 FKBB O=[N+]([O-])c1ccccc1OP(=O)(Nc1ccccc1)Nc1ccccc1 658449 MEIJBCPOWLVHLD-UHFFFAOYSA-N 369.317 5.306 5 40 FKBB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)c2ccc3ccccc3c2n1 40384417 RDFWGBSSJUBGFI-UHFFFAOYSA-N 370.452 5.736 5 40 FKBB CCCN(Cc1ccccc1)C(=O)Nc1cc2ncccc2c2cccnc12 408975842 OCLWBCSWSMKGHA-UHFFFAOYSA-N 370.456 5.227 5 40 FKBB N=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2)cs1 4785451 XQGMMBVYBUPQID-UHFFFAOYSA-N 354.434 5.856 5 40 FKBB Cc1ccnc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]c3ccccc23)c1 5753053 MZNGPHFJIPXOND-QFIPXVFZSA-N 372.428 5.289 5 40 FKBB CC(C)(C)CC(C)(C)NC(=S)Nc1cc2cccnc2c2ncccc12 408976817 UCZLKYDYUFYKLH-UHFFFAOYSA-N 366.534 5.284 5 40 FKBB O[C@]1(c2cccc3ccccc23)CCCc2cc3c(ccc4ccccc43)cc21 1656989 FVWOGDKCSUFHFD-NDEPHWFRSA-N 374.483 6.718 5 40 FKBB Cc1cc(C)c(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c(C)c1 2117633 WNWCTJIVAGKNHQ-UHFFFAOYSA-N 371.436 5.228 5 40 FKBB biogenic O=[N+]([O-])c1cccc2nc(/C=C/c3cc(Br)cs3)ccc12 5156094 KTVGTLUXSMLOPM-GQCTYLIASA-N 361.220 5.137 5 40 FKBB O=C(c1ccccc1)c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 6866894 MTGOYEZGFKKASL-HXUWFJFHSA-N 372.424 5.315 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)[C@H]1C[C@H]1c1ccccc1 670431822 XVZNRENGLUBDFV-ROUUACIJSA-N 371.461 5.157 5 40 FKBB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4887199 QLBNGJDJIGURBI-UHFFFAOYSA-N 372.833 5.132 5 40 FKBB CCc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 2160529 SKLMPNLYRAOQDG-UHFFFAOYSA-N 371.436 5.174 5 40 FKBB biogenic O=[N+]([O-])c1cccc(/C=C/c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1 4610934 YTQOMLMBZLHCIF-PHEQNACWSA-N 372.380 5.844 5 40 FKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc3ccccc3nc2c1 96582908 NLOVLEQKNBGMGV-UHFFFAOYSA-N 367.330 5.054 5 40 FKBB Cc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1C 408977114 UFOWUSROECBLBO-UHFFFAOYSA-N 358.470 5.209 5 40 FKBB C[C@H]1CCc2c(c(-c3ccc4c(c3)OCO4)nc3ccc4ccccc4c23)C1 4618377 MDJTZXFDVDNOBL-HNNXBMFYSA-N 367.448 5.909 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccccc2)cc1 5604523 IDKMCXUKGAHDPH-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc(Cl)c1)N2 250123454 URVOQILKAAIDGO-GPQGAXSRSA-N 354.837 5.545 5 40 FKBB O=[N+]([O-])c1cccnc1SCc1csc(-c2ccccc2Cl)n1 48302617 OBTBGKHZPAYECZ-UHFFFAOYSA-N 363.851 5.059 5 40 FKBB C[C@H](c1ccc(Br)cc1)[N@@+]1(C)SC(=S)C2=C1CCCC2 254441528 QTAXHJNAQOPSCS-ADLMAVQZSA-N 369.373 5.774 5 40 FKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408996573 QDAPTPQHLSFPEP-IUCIOQMXSA-N 362.473 6.015 5 40 FKBB O=[N+]([O-])c1ccc(/C=C2\c3ccccc3-c3nc4ccccc4cc32)cc1 5105108 GAMAUTIHOUXJSM-DEDYPNTBSA-N 350.377 5.712 5 40 FKBB O=C(c1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 5873187 OOJUSFWPMAABPT-UHFFFAOYSA-N 352.777 5.227 5 40 FKBB Cc1nn(-c2nc3ccccc3c3ccccc23)c2c1C(=O)CC(C)(C)C2 8664900 PLCIACJBVJMVGV-UHFFFAOYSA-N 355.441 5.037 5 40 FKBB Cc1ccc(NC(=S)Nc2ccc3cc4ccccc4nc3c2)cc1C 409189911 NLLVYOKAZOWMGY-UHFFFAOYSA-N 357.482 5.814 5 40 FKBB CC(C)(C)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 6305179 VTIRSFPCQYDMBA-UHFFFAOYSA-N 369.461 5.547 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccccc2Cl)cc1 409181360 BQDAXRPQUDEGOY-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1ccc(N(C)C(=S)Nc2cc3cccnc3c3cccnc23)cc1C 408977285 VEHJIDVAJOQRIC-UHFFFAOYSA-N 372.497 5.233 5 40 FKBB Cc1ccc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 7147794 PQDKXNNMJFUOEK-CYBMUJFWSA-N 355.419 5.115 5 40 FKBB Brc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1 90549447 ASTYOSSWOHFFQV-UHFFFAOYSA-N 357.250 7.014 5 40 FKBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(Br)cc3Cl)oc12 226248502 SWKANTIBUZQUIU-UHFFFAOYSA-N 367.586 5.127 5 40 FKBB O=[N+]([O-])c1cccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)c1 6538246 HNNZFJRHJIEARD-UHFFFAOYSA-N 354.369 5.286 5 40 FKBB Cc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)c(C)c1 1452074 CZNFLACLLITXDI-UHFFFAOYSA-N 367.452 5.434 5 40 FKBB Cc1ccc(C(=O)Nc2ccc3sc4ccc(C)cc4c(=O)c3c2)cc1 4014235 KRNOZAHQIMFNCP-UHFFFAOYSA-N 359.450 5.284 5 40 FKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)c1 6616312 UMZQQSDAJQIIBO-IBGZPJMESA-N 366.467 6.014 5 40 FKBB CC1(C)COC(CCCC(=O)c2cc3ccccc3c3ccccc23)OC1 43214503 ZLVSQBYMPJSRKD-UHFFFAOYSA-N 362.469 5.745 5 40 FKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 46085651 BLWUSHNYIHLYJD-UHFFFAOYSA-N 368.389 5.081 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1C 33759382 BRZIZRBFBBAGRM-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB CCCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408603978 CKIAOBGRASSWAH-UHFFFAOYSA-N 364.829 5.048 5 40 FKBB CN1c2ccc3ccccc3c2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2069317 VVBCJLKUVBAFOA-QHCPKHFHSA-N 372.424 5.278 5 40 FKBB CCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408618902 IARAHGNVBGVLBX-UHFFFAOYSA-N 370.792 5.323 5 40 FKBB CC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 225208863 AAJBOYVDRAAKCK-UHFFFAOYSA-N 364.426 5.692 5 40 FKBB CC(C)OCc1ccc(C(=O)Nc2ccnc3c2ccc2ccccc23)o1 40384375 YDODJMYJQXEBCQ-UHFFFAOYSA-N 360.413 5.158 5 40 FKBB C[C@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 7062744 SXELEJAWLVOUGH-JTQLQIEISA-N 361.810 5.152 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 408603175 BFAMNRDULLWYFC-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc3ccccc3cc12 1766679 AIWCBAUJTADPFR-UHFFFAOYSA-N 368.219 6.060 5 40 FKBB O=[N+]([O-])c1cc2[nH]c(-c3ccccc3)c(O)c2cc1/C=C/c1ccccc1 3844593 LLHMDRUXYAHYTF-VAWYXSNFSA-N 356.381 5.619 5 40 FKBB Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Cl)cc4)cc3oc12 5241671 KHPVKPJAQAHRSE-UHFFFAOYSA-N 366.800 5.193 5 40 FKBB Cc1ccccc1OCCn1c2ccccc2c2nc3ccccc3nc21 1448944 AKELYAZADRUYLK-UHFFFAOYSA-N 353.425 5.125 5 40 FKBB Cc1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)c2[nH]c(C)c(C)c2c1 69581981 MDNHTBHIPYSYSA-UHFFFAOYSA-N 360.417 5.162 5 40 FKBB Cc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1C 408975255 LJKPWWMMTSYJRD-UHFFFAOYSA-N 358.470 5.209 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1cn2c(n1)sc1ccccc12 856320 YGHDONGSZKOBGS-UHFFFAOYSA-N 368.417 5.476 5 40 FKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc1 5164403 WVEHCLHNWYXYIG-UHFFFAOYSA-N 373.416 5.060 5 40 FKBB O=C(Nc1cccc(Cl)c1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 6927519 JDODPPDUPFSOGT-UHFFFAOYSA-N 367.792 5.618 5 40 FKBB Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 7950460 OBALTSOUWSMMGL-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB Cc1ccc([C@@H](C)Nc2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 15833964 LKDFIIYNRUHGPC-CQSZACIVSA-N 366.421 5.250 5 40 FKBB O=C(Nc1cc(Cl)ccc1Cl)c1cccc2nc3ccccc3nc12 5445496 ZPUXZHDWFMGEEG-UHFFFAOYSA-N 368.223 5.342 5 40 FKBB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[C@@H]2C 4737124 WJNBIRILXAOMHB-RCLKMUNOSA-N 364.445 5.235 5 40 FKBB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5192957 NJSJZEXIYNVTMV-CQSZACIVSA-N 364.401 5.621 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccccc1Cl 8040509 IHVAMECFCSIWCA-UHFFFAOYSA-N 363.804 5.313 5 40 FKBB CC(C)c1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6201581 RLDBQFULEFZJTJ-UHFFFAOYSA-N 350.374 5.231 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H](c1ccccc1)c1ccccn1 12606520 WZELFJZLFUVTSW-SFHVURJKSA-N 373.334 5.210 5 40 FKBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(C)(C)C)cc1 10111773 AZNSCIRVLBWBSP-LBPRGKRZSA-N 360.841 5.037 5 40 FKBB CCc1cccc(C)c1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313344 RZKPTKMUJPVETL-UHFFFAOYSA-N 374.849 5.586 5 40 FKBB Cc1ccc(Oc2ccc3[nH]c([N+](=O)[O-])c4c3c2C(=O)c2ccccc2-4)cc1 85408923 AKUFVPLJEPOKKO-UHFFFAOYSA-N 370.364 5.388 5 40 FKBB CCCCc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1 4603731 NOUUKKFMJGUMLW-UHFFFAOYSA-N 364.401 5.049 5 40 FKBB CCCCCCOc1cccc(OCCCC[N+]2(CC)CCCCC2)c1 5492412 IPKRAWYZQCWGKO-UHFFFAOYSA-N 362.578 5.825 5 40 FKBB CC(C)(C)c1ccc(CNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1 3902421 SDSJDOHKRULNKH-UHFFFAOYSA-N 367.493 5.495 5 40 FKBB CCC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C 4813902 CKFPMPFOJPJFPW-UHFFFAOYSA-N 366.489 5.106 5 40 FKBB Cc1cccc2c(=O)c3c(O)cc(OCc4ccccc4Cl)cc3oc12 5245977 HQGKBMHFXZCMOW-UHFFFAOYSA-N 366.800 5.193 5 40 FKBB CN1/C(=C\[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)C(C)(C)c2ccccc21 13040945 BOWPXTOSMCABJA-CCRNYGKSSA-N 356.853 5.012 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c(Cl)cccc12 14258302 ZHBVUYVACPDINU-UHFFFAOYSA-N 361.184 5.307 5 40 FKBB Cc1cc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1F 408626136 ZFTXITOYBCHIJB-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1 1857776153 ZQHJNXTUZIUOQM-UHFFFAOYSA-N 369.218 5.827 5 40 FKBB Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 6845175 XNYPEFANOHEHND-JOCHJYFZSA-N 357.413 5.259 5 40 FKBB Cc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C 409114439 HIVUCICIYXXYEH-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)c([N+](=O)[O-])cc1OC 6546622 AYHFYPWUHQYBEN-AATRIKPKSA-N 370.430 5.009 5 40 FKBB COC(=O)c1ccccc1-c1c2ccccc2cc2c1ccc1ccccc12 1702686 GRFPDHRTTLZTBL-UHFFFAOYSA-N 362.428 6.600 5 40 FKBB CC(=O)c1ccc(NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 225208151 IURXCDIQKLDBRC-UHFFFAOYSA-N 374.440 5.432 5 40 FKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1c2ccccc2cc2ccccc12 3323198 IBTIACTYNVASHA-UHFFFAOYSA-N 357.365 5.258 5 40 FKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 3898212 OBTVXLHNHSEYDK-OAQYLSRUSA-N 361.376 5.090 5 40 FKBB O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=C/c2nc3ccccc3s2)c1 12557673 QEIUOROEZUYJKK-DHZHZOJOSA-N 365.458 5.365 5 40 FKBB Cc1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 4871421 ZIARZWGWFFATKL-UHFFFAOYSA-N 357.369 5.306 5 40 FKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 6220206 RFCSKFXRFQNCAA-UHFFFAOYSA-N 360.584 5.199 5 40 FKBB O=C(Nc1cccc2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893822 OSKHGOMTPLWGTI-UHFFFAOYSA-N 358.353 5.260 5 40 FKBB CCOc1ccc(NC(=O)OCc2c3ccccc3cc3ccccc23)cc1 1566129 OXCYJZGCUULHMU-UHFFFAOYSA-N 371.436 6.140 5 40 FKBB CC[N+](C)(C)CCCCCCCC[N+](C)(CC)Cc1cc2ccccc2o1 4822088 GBDMFCKZILLFIP-UHFFFAOYSA-N 374.613 5.836 5 40 FKBB O=[N+]([O-])c1ccc(N2c3ccccc3S[C@@H]2c2ccco2)c([N+](=O)[O-])c1 5593887 LAAXMDFDMFQHAX-QGZVFWFLSA-N 369.358 5.039 5 40 FKBB O=[N+]([O-])c1cc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1Cl 20436561 YPGNJFIXZQWALG-UHFFFAOYSA-N 374.893 5.840 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 226294759 UKDYHCLFHDXRST-UHFFFAOYSA-N 362.410 5.451 5 40 FKBB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C/c1onc(C)c1[N+](=O)[O-] 408994954 JYFBZOYDFMHFAJ-VAWYXSNFSA-N 374.400 5.017 5 40 FKBB CC(C)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087117 YXXGTKKBGIUCAQ-UHFFFAOYSA-N 371.437 5.335 5 40 FKBB Cc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1 408999006 JTJIKMUCAFSYRZ-MZYLBHOOSA-N 356.425 5.374 5 40 FKBB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 5604546 PNASXMWDOQTANU-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1 3205180 XTWBCHZDKPATDT-JOCHJYFZSA-N 372.424 5.024 5 40 FKBB aggregator Cc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 408999008 JTJIKMUCAFSYRZ-PMVMPFDFSA-N 356.425 5.374 5 40 FKBB Cc1cccc(OCCn2c3nc4ccccc4nc3c3cccc(C)c32)c1 2195712 HEEQEAQEUXPWTD-UHFFFAOYSA-N 367.452 5.434 5 40 FKBB O=C(/C=C/c1cccc(Oc2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 1445241 PCHGDPCXMWBKSO-OUKQBFOZSA-N 360.369 5.039 5 40 FKBB biogenic Cc1ccc(C)c(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1 2123913 RBRNUFXSLVMDMF-UHFFFAOYSA-N 371.436 5.228 5 40 FKBB biogenic Cc1nc2sc3c(nc(C)n4c5ccccc5nc34)c2c(C)c1Cl 1070437 BJISAEFLHAZIIC-UHFFFAOYSA-N 352.850 5.224 5 40 FKBB c1ccc2cc(-c3c4ccccc4cc4c3ccc3ccccc34)ccc2c1 1702679 USWQKAABTMVLGS-UHFFFAOYSA-N 354.452 7.966 5 40 FKBB O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 1737286 JHRWACNGISVENE-UHFFFAOYSA-N 361.568 5.166 5 40 FKBB Cc1cc(C)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 33647031 ZLSGLQBPYAPYJN-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB COc1ccccc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1 2373566 YIIAGWJDBLVRLW-UHFFFAOYSA-N 362.432 6.126 5 40 FKBB aggregator Cc1ccc(C2=Nc3ccccc3N=C(c3cccc([N+](=O)[O-])c3)C2)c(O)c1 1302191 MPQWHOMMDOQNOA-UHFFFAOYSA-N 371.396 5.254 5 40 FKBB Fc1ccc(CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959651 KXFQSQRUKXEPNW-UHFFFAOYSA-N 359.429 5.467 5 40 FKBB O=[N+]([O-])/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 6227065 DYXPHRDEOMYFEX-AATRIKPKSA-N 358.608 5.473 5 40 FKBB Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 6845171 XNYPEFANOHEHND-QFIPXVFZSA-N 357.413 5.259 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc(Cl)c1)N2 250123451 URVOQILKAAIDGO-CQTZQYROSA-N 354.837 5.545 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 408613192 XWIAUEUHMASLTG-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Clc1cccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12 2166935 VVCSLEYASKOQEN-UHFFFAOYSA-N 364.875 7.980 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1 6471901 RFFRZBLBJYJAKB-FPYGCLRLSA-N 350.321 5.394 5 40 FKBB O=c1c2ccc(Cl)cc2[nH]c2cc(OCCCCC(F)(F)F)ccc12 84490079 HFSHBTTVSXVACW-UHFFFAOYSA-N 369.770 5.446 5 40 FKBB Cc1ccc(N(C)C(=S)Nc2cc3ccncc3c3ncccc23)cc1C 408975302 LYUGIGBNGHCKIH-UHFFFAOYSA-N 372.497 5.233 5 40 FKBB O=[N+]([O-])c1ccccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12 3268521 BMCJZMVFTCCSMC-UHFFFAOYSA-N 367.361 5.198 5 40 FKBB O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Br)s3)nc12 5155798 AZOXUTHILLVBMA-VOTSOKGWSA-N 361.220 5.137 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2)cc1 4627710 QEDPATSNVXQRMT-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OCC[N+](C)(C)C)cc1 1758547 WTUQWTTWILGWQY-DNQXCXABSA-N 370.557 5.468 5 40 FKBB Cc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)c1 408993583 WIQZGHQPVJFCEQ-WWNPGLIZSA-N 356.425 5.374 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(OC)cc1 706914 IDQNKURRWZOLOR-UHFFFAOYSA-N 372.424 5.317 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1Cl)N2 4845650 SBXZOCXAKCVXBN-RMXLQIEMSA-N 354.837 5.545 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1cccc2ccccc12 6796550 SRZCSAQMRPPPHF-UHFFFAOYSA-N 355.781 5.354 5 40 FKBB CC(C)c1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 1511373 RQAXGPQWBHRIBI-UHFFFAOYSA-N 367.430 5.094 5 40 FKBB C[Sn](C)(C)C1=Cc2ccc(cc2)C=Cc2ccc1cc2 195752776 PHYPCQGMIANGFG-UHFFFAOYSA-N 367.080 5.588 5 40 FKBB O=[N+]([O-])c1ccc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 32853585 YETOIYFVYJPXJE-UHFFFAOYSA-N 373.865 5.242 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Cl)cc1)N2 409000463 YVTMTKFXHAOUTO-YDIRCUSSSA-N 354.837 5.545 5 40 FKBB CC(C)n1c(NCc2c3ccccc3cc3ccccc23)nc2ccccc21 13750253 IECPKJDFJGNNNJ-UHFFFAOYSA-N 365.480 6.536 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C 408623241 RUWGEGKBMSHUCH-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB O=C(OCc1nc2ccccc2s1)c1c2ccccc2cc2ccccc12 3322797 JAQAVATYRDTHFD-UHFFFAOYSA-N 369.445 5.960 5 40 FKBB Cc1sc(-c2cc3c(ccc4ccccc43)oc2=O)nc1-c1ccccc1 4996464 BAFZGJMYKMSPKK-UHFFFAOYSA-N 369.445 6.045 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl 9141748 UADYOANAGRCUJU-UHFFFAOYSA-N 359.596 5.116 5 40 FKBB O=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)cc1 16488062 DKVGXFIOIHYOLP-UHFFFAOYSA-N 372.449 6.793 5 40 FKBB Cc1cc(NC(=S)SCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1C 6484360 UHTKQYQRDZRGMD-UHFFFAOYSA-N 366.895 5.495 5 40 FKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 46085640 YWMVKLSFJPUJLJ-UHFFFAOYSA-N 368.389 5.081 5 40 FKBB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 408906159 CRPUOVUSWBPGBU-UHFFFAOYSA-N 364.426 5.139 5 40 FKBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 4661897 XCMHUGFIAUOUDM-UHFFFAOYSA-N 366.760 5.400 5 40 FKBB Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 5033263 RHSIWXNXSQSNMP-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB Cc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 5795451 UKMLSPRDLRIVPA-UHFFFAOYSA-N 363.800 5.160 5 40 FKBB Cc1ccc(NC(=O)c2cc3sc4ccccc4c3s2)cc1[N+](=O)[O-] 3183319 MTBQHYCYWQRUTC-UHFFFAOYSA-N 368.439 5.585 5 40 FKBB O=[N+]([O-])c1ccc(/C=C2\c3ccccc3-c3nc4ccccc4nc32)cc1 4896869 XGZYKGWTODTUFL-QGOAFFKASA-N 351.365 5.107 5 40 FKBB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6587095 HARXCGVDJJPEIC-SECBINFHSA-N 371.245 5.021 5 40 FKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 100424225 WWVLJMPHCZALAB-HXUWFJFHSA-N 363.417 5.466 5 40 FKBB C[C@@H](c1ccc(Br)cc1)[N+]1(C)SC(=S)C2=C1CCCC2 5527876 QTAXHJNAQOPSCS-FAQQKDIKSA-N 369.373 5.774 5 40 FKBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 5809412 DAKAXKLZVBXXIP-NRFANRHFSA-N 360.438 5.953 5 40 FKBB Cc1cccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408905925 BCTOXAGFAVFUPV-RCCKNPSSSA-N 358.397 5.083 5 40 FKBB COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@@H]21 409000648 URBSFMIUKKSVBR-VJBMBRPKSA-N 372.424 5.074 5 40 FKBB Cc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1 1463160 CZMZSCLUADXQHC-FQEVSTJZSA-N 356.425 5.552 5 40 FKBB O=[N+]([O-])c1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 3030629 DWLHGLWDLUEAEN-UHFFFAOYSA-N 370.301 5.273 5 40 FKBB Cc1ccc(-c2nc(Cc3ccccc3)c3c(ccc4ccccc43)n2)cc1 57291935 CDYAJYKZQMYCRR-UHFFFAOYSA-N 360.460 6.349 5 40 FKBB CC[C@@H](C)N1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409020149 MHOYVHLWMDUCQL-GNUZOCDUSA-N 361.466 5.828 5 40 FKBB CCOc1ccc(C(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1 40384433 FMCVPUHJXMISOP-UHFFFAOYSA-N 356.425 5.347 5 40 FKBB S=C(Nc1ccccc1Cl)Nc1cc2cccnc2c2cccnc12 408974868 HTLNYUPROLAAES-UHFFFAOYSA-N 364.861 5.245 5 40 FKBB O[C@H](CN1CCC[C@H]2CCCC[C@@H]21)c1cc2ccccc2c2ccccc12 4783039 HSYCCRRCCGGXCB-AYCKEJKLSA-N 359.513 5.681 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cc(Cl)ccc3Cl)no2)c1 89262463 ZEFWRNKWNRGFRN-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB CCc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409110916 ATCRXQJZFMCMHK-UHFFFAOYSA-N 362.429 5.348 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 1677203 NCUUHDKFGVNRCZ-UHFFFAOYSA-N 363.540 5.256 5 40 FKBB O=[N+]([O-])c1ccc2nc(SCc3csc(-c4ccccc4)n3)oc2c1 3250077 MXVKCIZLTIQTNN-UHFFFAOYSA-N 369.427 5.152 5 40 FKBB c1ccc(CSc2ncnc3c2sc2nc4ccccc4cc23)nc1 35313189 JRNHFERRTNXPES-UHFFFAOYSA-N 360.467 5.080 5 40 FKBB CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2 223021187 JLSGXXYWALSXJR-IBGZPJMESA-N 372.852 5.008 5 40 FKBB CC(C)(C)c1ccc(CNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 4182931 ZXBFENFLCTYXQO-UHFFFAOYSA-N 353.466 5.105 5 40 FKBB Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408619459 ILZDWOQPXPYTJB-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 8272034 LVSNUXRYJAPTGM-UHFFFAOYSA-N 359.765 5.099 5 40 FKBB Cc1cc(NC(=O)COc2ccccc2C)c2ccc3ccccc3c2n1 40384495 QKZZVLIULSJSMJ-UHFFFAOYSA-N 356.425 5.022 5 40 FKBB CCC[N+]1(CCCC[C@](O)(c2ccccc2)C2(C)CCCC2)CCCCC1 96194506 CGEXJELKKOJEHO-VWLOTQADSA-N 372.617 6.036 5 40 FKBB O=C(c1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 3338456 OOSCAPOXFVGGIM-UHFFFAOYSA-N 371.751 5.411 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccc(Cl)cc2)o1 856249 LNCHRFMYPRXDOG-UHFFFAOYSA-N 374.783 5.317 5 40 FKBB C[C@@H]1CCCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774808 WEXYLSBFOCEEKQ-KDOFPFPSSA-N 362.433 5.196 5 40 FKBB Cc1ccc(OCC(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1 40384491 GRTYOMXSJQILOQ-UHFFFAOYSA-N 356.425 5.022 5 40 FKBB Cn1c(-c2ccccc2)c([C@H](C[N+](=O)[O-])c2ccc(F)cc2)c2ccccc21 1098103 VTTFJIXGUHXGOW-HXUWFJFHSA-N 374.415 5.393 5 40 FKBB Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 3848497 ORLYCWGSPVFAMG-UHFFFAOYSA-N 363.369 5.838 5 40 FKBB biogenic CC(C)(C)c1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 22120133 GKLMPAYOWMYYGP-UHFFFAOYSA-N 357.797 5.263 5 40 FKBB Cc1cc(C)cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 408907780 RNRLPQOBRADBCU-PXLXIMEGSA-N 372.424 5.391 5 40 FKBB C[C@H](Nc1cc(N2CCCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4117557 ICFLDJPILFXOJL-BZSISCHUSA-N 369.509 5.212 5 40 FKBB Cc1ccc(NC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1 4983309 FBXQDOQSAWIXNA-SDNWHVSQSA-N 370.455 5.206 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1C 6301370 NRPZQVMIGGTEMC-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 223013684 JNULBRTVMCCMIF-GOSISDBHSA-N 372.852 5.008 5 40 FKBB S=C(Nc1ccccc1Cl)Nc1cc2cccnc2c2ncccc12 409319484 GZYKGMOFRNJTGG-UHFFFAOYSA-N 364.861 5.245 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(C)cc2)cc1 1463166 MHFRTPOLTDXMDD-OAQYLSRUSA-N 370.452 5.860 5 40 FKBB CCOC(=O)Nc1c2ccccc2c(NC(=O)OCC)c2ccccc12 1600628 BUNBNHLGPZGOAI-UHFFFAOYSA-N 352.390 5.130 5 40 FKBB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 1677204 UGZNZKPKXZUJQO-UHFFFAOYSA-N 363.540 5.256 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2Cl)no1 12879902 VCFXTBMUOVJLTA-UHFFFAOYSA-N 374.783 5.317 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1 408558475 RLBYWLPGCFPXFR-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB O=C(NC1CCCCC1)c1ccc2sc3nc4ccccc4nc3c2c1 408976864 UHXVABPMUFRIQE-UHFFFAOYSA-N 361.470 5.060 5 40 FKBB O=[N+]([O-])c1cccnc1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 4457448 YODYTADDKYGEGX-UHFFFAOYSA-N 374.425 5.198 5 40 FKBB CC(C)c1ccc2oc(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 57352638 JODPVIZFFARLEL-UHFFFAOYSA-N 354.391 5.213 5 40 FKBB O=C(O)c1cc(-c2c(F)cccc2Cl)nc2ccc3ccccc3c12 5904591 XCHKSJBGIADSIQ-UHFFFAOYSA-N 351.764 5.546 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2N[C@@H](c3ccccc3)Cc3c2[nH]c2ccccc32)cc1 20111645 VKOFOVYBHNSALY-YADHBBJMSA-N 369.424 5.053 5 40 FKBB biogenic CC(C)c1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229023 ZIRVNVKLWZKARF-UHFFFAOYSA-N 353.205 5.277 5 40 FKBB CCc1cc([N+](=O)[O-])cc2nc(-c3cccc4c(Cl)cccc34)oc12 73642676 YLTCRFYKBISKQH-UHFFFAOYSA-N 352.777 5.772 5 40 FKBB O=[N+]([O-])c1cccc(-c2cc(-c3cccs3)cc(-c3ccccc3)n2)c1 1041674 LZKGNRBQLHDAHR-UHFFFAOYSA-N 358.422 6.052 5 40 FKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 408609110 NZXYIIVKSQZIGT-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB CC(C)(C)c1cc(Cl)c(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 2072744 FKPCSZNKKQBWDV-UHFFFAOYSA-N 368.216 5.418 5 40 FKBB Cc1cccc2c(=O)c3c(O)cc(OCc4cccc(Cl)c4)cc3oc12 5322845 LHZCRKGNVGIGLK-UHFFFAOYSA-N 366.800 5.193 5 40 FKBB CCCN(Cc1ccccc1)C(=O)Nc1cc2ccncc2c2ncccc12 408977544 WPGHLSXAJVFSRB-UHFFFAOYSA-N 370.456 5.227 5 40 FKBB O=[N+]([O-])/C(=C(\Sc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 1816075 ORIASPLFCAQYTJ-VXPUYCOJSA-N 367.857 6.235 5 40 FKBB Cc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ccccc3S2)cc1 6487810 UKAMSRDHYLNTCB-JOCHJYFZSA-N 374.465 6.261 5 40 FKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12 408572197 QUIGWYVIOCQVHF-JOCHJYFZSA-N 372.424 5.156 5 40 FKBB O=C(c1ccccc1)c1c2ccccc2c(Br)c2ccccc12 1601602 BBAIQHNZWCCRMR-UHFFFAOYSA-N 361.238 5.987 5 40 FKBB c1cncc(CSc2ncnc3c2sc2nc4ccccc4cc23)c1 35313205 FYBIHPDXQSENOM-UHFFFAOYSA-N 360.467 5.080 5 40 FKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(-c2ccccc2)cc1 4771210 HQCQSAMSHYBJGA-UHFFFAOYSA-N 368.776 5.526 5 40 FKBB c1ccc(-c2cc(-c3ccccc3)c3ccc4ncnc5ccc2c3c54)cc1 18192804 TVBRYAXVZKDMQW-UHFFFAOYSA-N 356.428 6.708 5 40 FKBB COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]12 409000645 URBSFMIUKKSVBR-PTUXOGIPSA-N 372.424 5.074 5 40 FKBB Cc1c/c(=N\CCNc2ccc(Cl)cc2)c2ccc3ccccc3c2[nH]1 5796819 VRIVQXBYGZMVEE-UHFFFAOYSA-N 361.876 5.296 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc(Cl)ccc1Cl 9141733 BNWKALKRHHNNHX-UHFFFAOYSA-N 359.596 5.116 5 40 FKBB Cc1cc(OCc2ccc(Cl)cc2)cc2oc(=O)c3ccccc3c12 627580 QJRBNXFBUBMCDZ-UHFFFAOYSA-N 350.801 5.487 5 40 FKBB Nc1cc(C(=O)OCc2c3ccccc3cc3ccccc23)ccc1Cl 226331695 WSZOBFXNIPOQAQ-UHFFFAOYSA-N 361.828 5.586 5 40 FKBB O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1cccc(Cl)c1 408975529 MMTAKVOPQDBPLG-UHFFFAOYSA-N 373.799 5.137 5 40 FKBB O=[N+]([O-])c1ccc2nc3c(c(-c4ccccc4)c2c1)COc1ccccc1-3 6346528 IANYEXIVCULFNN-UHFFFAOYSA-N 354.365 5.369 5 40 FKBB CC(C)Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8049185 FFUUITSZCGAZIQ-UHFFFAOYSA-N 350.827 5.001 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCc1ccccc1 19791734 FFSBSAWXSCOFEY-UHFFFAOYSA-N 356.425 5.177 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(F)cc1)N2 408992800 CCPOPUAGVRGCOX-BVSLBCMMSA-N 360.388 5.205 5 40 FKBB C/C=C1/C[N@+]2(CCCCC)CC[C@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@H]42 504295469 XQRRSKKQLILQOC-ZHLXHLTRSA-O 363.525 5.212 5 40 FKBB Cc1ccc(-c2csc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 5559235 MTQOQHYDZQZOBA-WEVVVXLNSA-N 356.834 5.851 5 40 FKBB c1ccc(-c2nn3c4cc(N5CCCC5)ccc4nc3c3ccccc23)cc1 4739207 JZTNFOFPIMHVGR-UHFFFAOYSA-N 364.452 5.303 5 40 FKBB CCCc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 59475466 BMCWNWMLGWSNEX-UHFFFAOYSA-N 368.355 5.057 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccccc2)cc1 409116580 KTCVJWMSEZAVNA-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Oc1ccc(CSc2nc3ccccc3c3ccccc23)c2cccnc12 16525566 HBUOZLOCDWPACL-UHFFFAOYSA-N 368.461 5.934 5 40 FKBB O=[N+]([O-])c1cccc(-n2cc(-c3ccc(Cl)cc3Cl)oc2=S)c1 26442202 OSNVIUGBMRXETK-UHFFFAOYSA-N 367.213 5.682 5 40 FKBB Cc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1C 1452075 FPZWFWPWYJUWQW-UHFFFAOYSA-N 367.452 5.434 5 40 FKBB Clc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c(Cl)c1 2345266 QNWDTQVXWFIPKC-UHFFFAOYSA-N 364.275 6.851 5 40 FKBB Cc1cc2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)nc2s1 4696777 PKTWUXPKSIJQFG-FMIVXFBMSA-N 373.437 5.745 5 40 FKBB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1Cl 3282056 OXRLFPKQIYSBSF-UHFFFAOYSA-N 367.744 5.367 5 40 FKBB c1cc2cc3ccc4ccc5ccc6cc7cccc8c(c1)c2c1c3c4c5c6c1c78 95868163 YVVKYYLDAVMMPF-UHFFFAOYSA-N 374.442 8.663 5 40 FKBB O=C(Oc1ccc(Cl)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408721730 LNYVIVRPGKNIME-UHFFFAOYSA-N 373.799 5.137 5 40 FKBB CCc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 409029304 YRXMTNMPJLQAFA-CJLVFECKSA-N 372.424 5.337 5 40 FKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1 72229123 NHFAPBYQTFGKBK-UHFFFAOYSA-N 373.840 5.245 5 40 FKBB C[C@@H]1CCc2c(c(-c3ccc4c(c3)OCO4)nc3ccc4ccccc4c23)C1 4618376 MDJTZXFDVDNOBL-OAHLLOKOSA-N 367.448 5.909 5 40 FKBB COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccccc2)cc1 1004561 CMNJWLYIFAUUJB-HXUWFJFHSA-N 372.424 5.252 5 40 FKBB O[C@](Cc1ccccc1)(c1ccccc1)c1cc2ccccc2c2ccccc12 2077569 BIKZAKATZRFYBQ-MUUNZHRXSA-N 374.483 6.472 5 40 FKBB Cc1cc(C)c([N+](=O)[O-])c(C)c1COCc1c(C)cc(C)c([N+](=O)[O-])c1C 2727600 VFRWRSZLRZOMLN-UHFFFAOYSA-N 372.421 5.070 5 40 FKBB CCn1c(NCc2c3ccccc3cc3ccccc23)nc2ccccc21 13552472 HBNOZYWVILBWBF-UHFFFAOYSA-N 351.453 5.975 5 40 FKBB Clc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 1448946 XUXUEISYAMDSEU-UHFFFAOYSA-N 373.843 5.470 5 40 FKBB c1ccc(-c2nc3nc4[nH]c5ccccc5c4nn3c2-c2ccccc2)cc1 5888756 MIHAPFPIILFASP-UHFFFAOYSA-N 361.408 5.093 5 40 FKBB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408604549 VHTBRKOHRDHTSD-UVTDQMKNSA-N 366.760 5.001 5 40 FKBB Clc1nc2ccc3ccc4ccccc4c3c2c2c1sc1ccccc12 2125230 DDJJSMMJTSCTAX-UHFFFAOYSA-N 369.876 7.563 5 40 FKBB CC(C)c1ccc(-c2c3[nH]c4ccccc4nc-3c3ccccc3c2=O)cc1 101972612 SRDHHZZLMSRVOU-UHFFFAOYSA-N 364.448 5.972 5 40 FKBB CCCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/c1ccccc1 103517784 IJASLMAYUNTSIK-FMQUCBEESA-N 353.447 5.157 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 4595382 IFULABUKMOHPKA-FISOCWQOSA-N 354.450 5.171 5 40 FKBB O[C@@]1(c2cccc3ccccc23)CCCc2cc3c(ccc4ccccc43)cc21 4974860 FVWOGDKCSUFHFD-MUUNZHRXSA-N 374.483 6.718 5 40 FKBB CCCCCC[N+](C)(CCCCCC)CC[N+]1(C)C[C@H]2CCCC[C@H]2C1 17315732 PGONTIIDIHNYKX-MAOIWGCQSA-N 366.678 5.860 5 40 FKBB C[C@@H](Nc1cc(N2CCCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4117558 ICFLDJPILFXOJL-NOCBQHASSA-N 369.509 5.212 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 1559649172 IFULABUKMOHPKA-RUYXUALKSA-N 354.450 5.171 5 40 FKBB Cl/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2c2ccccc12 6585791 MRNUACITYVIGSI-CPNJWEJPSA-N 350.248 6.778 5 40 FKBB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 5460053 ANZOPDYLDAPXNZ-UHFFFAOYSA-N 374.488 5.209 5 40 FKBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)ccc1Cl 22120173 VBDYQIGSNHCMSN-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB Cc1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907748 QNLWSWGZFHDBNK-HMMYKYKNSA-N 358.397 5.083 5 40 FKBB CCCCCC[N+](C)(CCCCCC)CC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 4727007 PGONTIIDIHNYKX-DNQXCXABSA-N 366.678 5.860 5 40 FKBB O=[N+]([O-])c1ccc(F)cc1Oc1ncnc2sc(-c3ccccc3)cc12 8178356 FHTSCRBSVUUUQZ-UHFFFAOYSA-N 367.361 5.198 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2ccccc2c1Cl 5002508 ZCWZNIPWDQNJBI-UHFFFAOYSA-N 367.213 5.369 5 40 FKBB CC(C)(C)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10360359 VSRZBSBOTAYVNP-UHFFFAOYSA-N 360.841 5.117 5 40 FKBB O=[N+]([O-])c1ccc(N2CCCCCC2)c(-c2nc3ccccc3s2)c1 409196056 YMGZVOCNMSNOHZ-UHFFFAOYSA-N 353.447 5.252 5 40 FKBB CCn1c2ccccc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 1471329 NVEYJQQWDMSILB-UHFFFAOYSA-N 363.461 5.332 5 40 FKBB O=C(Oc1ccc2ccccc2c1Sc1ccccc1[N+](=O)[O-])C1CC1 3198273 NISSHBKOPVOURD-UHFFFAOYSA-N 365.410 5.215 5 40 FKBB Cc1ccc(C)c(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)c1 7813370 CFZMDDMSAGHLPB-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB O=c1c2ccccc2n(Cc2ccc(Cl)cc2Cl)c2ccccc12 6258083 YROWPLFUBDVQFT-UHFFFAOYSA-N 354.236 5.510 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1c(Cl)cc(Cl)cc1Cl 3148901 JTJXOIQXJBOKNV-UHFFFAOYSA-N 352.988 6.001 5 40 FKBB O=C(Oc1ccc(Cl)c2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 3281717 KHJOBMJEDGHLKS-UHFFFAOYSA-N 362.168 5.274 5 40 FKBB Cc1ccc(C)c(-c2nn3c4cc(Cl)ccc4nc3c3ccccc23)c1 16291392 ATMJYCVXRFVNSF-UHFFFAOYSA-N 357.844 5.973 5 40 FKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1coc(-c2cccc(Cl)c2)n1 28966073 QVUJEGIOHCQBDY-CYBMUJFWSA-N 371.824 5.096 5 40 FKBB CC[C@H](C)N1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409020151 MHOYVHLWMDUCQL-ZXOFLVKFSA-N 361.466 5.828 5 40 FKBB CCC1=C[C@](C)(CC)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc21 1755549 KIXMUZYREIHYRZ-QFIPXVFZSA-N 350.462 5.886 5 40 FKBB Cc1noc(/C=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1[N+](=O)[O-] 4809750 OFSQCDCAIFXZSP-VURMDHGXSA-N 365.172 5.628 5 40 FKBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4ccc(C)c(C)c4o3)sc2c1 57352626 SORWPUYBCWIPRB-UHFFFAOYSA-N 354.391 5.015 5 40 FKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 6062198 OQMKNZBJLICBTR-UHFFFAOYSA-N 367.788 5.195 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccco2)cc1/C=C/c1ccco1 1714376 JSPPUGNDSZAGJA-KQQUZDAGSA-N 352.302 5.030 5 40 FKBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)ccc1Cl 22120177 BCXVWQVNMIKACN-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB CC(C)(C)CC(C)(C)NC(=O)Nc1cc2ncccc2c2cccnc12 408974649 GAQLDICOSIJSFK-UHFFFAOYSA-N 350.466 5.119 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 1708970 LIIULZDLMHLVOS-UHFFFAOYSA-N 352.988 6.001 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(C)c1 940232 JBIFXVLVSAJSOH-UHFFFAOYSA-N 356.425 5.617 5 40 FKBB CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 19164941 CYGWZBHOYVFDGE-AWEZNQCLSA-N 364.401 5.621 5 40 FKBB Cc1cccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1C 2125535 MQIHGGHYGSIGKK-UHFFFAOYSA-N 371.436 5.228 5 40 FKBB biogenic CC[N+](C)(C)CCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1 4825462 JBBVHOGQFVMIRW-UHFFFAOYSA-N 360.586 5.446 5 40 FKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 59488323 QUYKSMXYZBRPSR-UHFFFAOYSA-N 370.430 5.789 5 40 FKBB O=C(O)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1 1903924841 GYWYGAAGSPXWCK-UHFFFAOYSA-N 374.439 7.025 5 40 FKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1coc(-c2cccc(Cl)c2)n1 28966076 QVUJEGIOHCQBDY-ZDUSSCGKSA-N 371.824 5.096 5 40 FKBB Cc1ccc2nc(Nc3nc4c(C)cc([N+](=O)[O-])cc4s3)oc2c1C 57352710 ZXYVJRXMAURIBT-UHFFFAOYSA-N 354.391 5.015 5 40 FKBB COc1ccccc1Oc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 1083558 BZZGYKGZYNGCFQ-UHFFFAOYSA-N 361.353 5.672 5 40 FKBB c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 13228230 RXEBCPRZJISBER-UHFFFAOYSA-N 360.416 6.796 5 40 FKBB O=C(CN1CCCCC1)Nc1cc2c3ccccc3ccc2c2ccccc12 1726383 RIHRDOQCULCXCI-UHFFFAOYSA-N 368.480 5.571 5 40 FKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)c2ccccc12 3281731 RWKAZVUQFMVJTL-KPKJPENVSA-N 353.761 5.020 5 40 FKBB CN(Cc1ccccc1Cl)Cc1cc(=O)oc2ccc3ccccc3c12 6786569 STUBSVKTUIOODQ-UHFFFAOYSA-N 363.844 5.232 5 40 FKBB O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 799885 GCKVTETXBWHROT-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 5342659 IFULABUKMOHPKA-JLHWHSNBSA-N 354.450 5.171 5 40 FKBB C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774807 WEXYLSBFOCEEKQ-KSSFIOAISA-N 362.433 5.196 5 40 FKBB O=C(Nc1ccccc1)c1ccc2sc3nc4ccccc4nc3c2c1 408974770 DSXILEBRWDSRSL-UHFFFAOYSA-N 355.422 5.250 5 40 FKBB CCCCCCn1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c2ccccc21 9235641 DAXUBJSLUXFAPP-VAWYXSNFSA-N 353.422 5.597 5 40 FKBB Cc1cccc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]c3ccccc23)n1 13060082 VUBRMXZSLXJVJX-QFIPXVFZSA-N 372.428 5.289 5 40 FKBB Cc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1 408993581 WIQZGHQPVJFCEQ-PUHATCMVSA-N 356.425 5.374 5 40 FKBB Cc1ccccc1OCCn1c2nc3ccccc3nc2c2cccc(C)c21 2397891 OJDJZLOILYENJK-UHFFFAOYSA-N 367.452 5.434 5 40 FKBB O=C(C[C@H](SCc1ccco1)c1ccc([N+](=O)[O-])cc1)c1cccs1 4071779 ZKCAYAPRWQOUJQ-SFHVURJKSA-N 373.455 5.497 5 40 FKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 6028001 VOVPDSRZINDOOC-UHFFFAOYSA-N 371.270 5.804 5 40 FKBB O=[N+]([O-])c1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 6898549 SECIFRCAMJBMHR-UHFFFAOYSA-N 365.336 5.481 5 40 FKBB O=[N+]([O-])c1ccc2oc(SCc3csc(-c4ccccc4)n3)nc2c1 4248244 FDNQAVOBXDATPG-UHFFFAOYSA-N 369.427 5.152 5 40 FKBB O=c1c2ccccc2oc2cc(OCc3ccc4ccccc4c3)cc(O)c12 5396560 AAHWKTHNBNFSHB-UHFFFAOYSA-N 368.388 5.384 5 40 FKBB biogenic O=[N+]([O-])c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)sc2c1 7141237 WTPAXUIOXNCDCL-VMPITWQZSA-N 350.321 5.394 5 40 FKBB O=[N+]([O-])c1cn(-c2ncc(C(F)(F)F)cc2Cl)cc1-c1ccccc1 1397493 GESLNODTLDSXEX-UHFFFAOYSA-N 367.714 5.120 5 40 FKBB CC(C)c1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1 59474340 QNFDACVFQOQZBH-UHFFFAOYSA-N 356.421 5.495 5 40 FKBB Cc1[nH]c2ccccc2c1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4167849 IBHJOTOCTKUKQD-UHFFFAOYSA-N 363.339 5.058 5 40 FKBB CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5192971 NJSJZEXIYNVTMV-AWEZNQCLSA-N 364.401 5.621 5 40 FKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cc3cccnc3c3ncccc23)C1 104156780 CSZQGCIVFHHCNM-QMHKHESXSA-N 374.488 5.216 5 40 FKBB O=C(Nc1ccc2ccccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 847299 ANENFLBODXQBMJ-UHFFFAOYSA-N 358.353 5.260 5 40 FKBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 1054105 HTDRUSQXBOWKIT-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 1448925 YVWVQUJEUDRKOA-LJQANCHMSA-N 366.467 6.014 5 40 FKBB CC(C)(C)CC(C)(C)NC(=S)Nc1cc2ccncc2c2ncccc12 408977281 VDOXDMAIWDYGFJ-UHFFFAOYSA-N 366.534 5.284 5 40 FKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1 408557585 OZHANQZGIVPBNN-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB CCc1ccccc1NCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 409117407 NIDLVTLUURKFIN-UHFFFAOYSA-N 362.429 5.348 5 40 FKBB O=C(c1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1)N1CC1 1615633 UWKCYBNRRAJFAB-UHFFFAOYSA-N 373.455 6.269 5 40 FKBB O=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1 5742031 RPNCMLPRXMCLPW-UHFFFAOYSA-N 357.373 5.025 5 40 FKBB COc1cccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 7848031 BONPRVKSTCCQCK-UHFFFAOYSA-N 356.381 5.486 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1 408556604 KSWXGANYXAEMJW-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1C 57316143 QSPMNWOJJWOWBW-UHFFFAOYSA-N 360.822 5.332 5 40 FKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3S2)c1 1045086 XXYPDVRSHFSOFF-NRFANRHFSA-N 360.438 5.953 5 40 FKBB Cc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1 1463238 DXVMFFKKFVZQNC-NRFANRHFSA-N 370.452 5.562 5 40 FKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccccc3Cl)c2)cc1 33788169 YNUKYVDOCOLTDJ-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB O=[N+]([O-])c1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)cc1Cl 1746568 HKABRCYOSPZVCX-VOTSOKGWSA-N 365.816 5.998 5 40 FKBB CC(=O)/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1 5377951 VIOHQLUCVYJWSP-LNVKXUELSA-N 370.433 5.310 5 40 FKBB CC(C)=CCCC1=CC[C@H]([C@H]2OC[C@@H](C[N+]3(C)CCCCC3)O2)[C@H](C)C1 100741576 FSCUZZBYWCMCOK-LGKPFJOYSA-N 362.578 5.077 5 40 FKBB Cc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c([N+](=O)[O-])cc1F 1504250399 KFCFIGUUMWGHAH-UHFFFAOYSA-N 351.202 5.132 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2)C1CCCCC1 1097320 VFJKEADQUDOIIR-UHFFFAOYSA-N 364.401 5.390 5 40 FKBB biogenic O=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12 59462996 DTKGDYPGFBLNRO-UHFFFAOYSA-N 361.275 5.372 5 40 FKBB C[n+]1c(-c2ccc(Cl)cc2Cl)c2cc(N)ccc2c2ccccc21 1743151 CWWIKEKJSOXPJR-UHFFFAOYSA-N 354.260 5.374 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c1 2153962 VBVLMNUQUDBXAF-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 7029896 ZAXVQBGUCXEVDX-QHCPKHFHSA-N 372.424 5.278 5 40 FKBB Cc1c(OCc2ccc(Cl)cc2)ccc2c1oc(=O)c1ccccc12 639758 RQTQKLLFLLQOBR-UHFFFAOYSA-N 350.801 5.487 5 40 FKBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 408906332 GJFCHOLKPOYXCD-FIOICXDGSA-N 372.424 5.013 5 40 FKBB O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)OCc1ccccc1 408974305 DWYJVAOOBJMGSV-UHFFFAOYSA-N 368.396 5.013 5 40 FKBB COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)c1 408994790 JDERVXPCVJZKFN-WWNPGLIZSA-N 372.424 5.074 5 40 FKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 408998912 QTYGCAAHMKTJGU-PMVMPFDFSA-N 372.424 5.074 5 40 FKBB Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C 5033203 IKXQNLSHNWVPFP-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 409109804 LUWHCVNMKPWKRN-RGEXLXHISA-N 374.396 5.152 5 40 FKBB C[C@@H]1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc4ccccc4c3c21 4615522 UEFMJEJRNJWASJ-OAHLLOKOSA-N 368.436 6.403 5 40 FKBB Cc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)c1 408993576 WIQZGHQPVJFCEQ-MZYLBHOOSA-N 356.425 5.374 5 40 FKBB Cc1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1[N+](=O)[O-] 46293041 VLWSXUKLNFABSV-UHFFFAOYSA-N 356.447 5.190 5 40 FKBB CCCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl 408560444 ZNTUFLRYSUVRLT-UHFFFAOYSA-N 355.221 5.303 5 40 FKBB CCCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408609758 OQXFFRJQCHJVFA-UHFFFAOYSA-N 355.221 5.303 5 40 FKBB CCCCOc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 12970680 LBXDBIRRLYUIEX-QJOMJCCJSA-N 374.440 5.758 5 40 FKBB CC(C)(C)c1ccc2oc(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 57352639 HWFFZVWBDXCZBJ-UHFFFAOYSA-N 368.418 5.387 5 40 FKBB O=C(CSc1cccc2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 408541778 DRZKLYIBRLBOED-UHFFFAOYSA-N 372.833 5.132 5 40 FKBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)c(Br)c3)oc12 226248494 VVHCSXRCZFFAQW-UHFFFAOYSA-N 367.586 5.127 5 40 FKBB COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 7848030 MKTGMJHRKSOICF-UHFFFAOYSA-N 356.381 5.486 5 40 FKBB CN(C(=O)c1ccc2nc3ccccc3nc2c1)c1ccc2ccccc2c1 408977200 UVIOWDMNESMALR-UHFFFAOYSA-N 363.420 5.213 5 40 FKBB O=[N+]([O-])c1cc(Sc2ccccc2)c2cc(-c3ccccc3)sc2c1 15084467 BHROHCBMOJNORY-UHFFFAOYSA-N 363.463 6.628 5 40 FKBB CN(C(=O)c1ccc2sc3nc4ccccc4nc3c2c1)c1ccccc1 408977906 ZBPJGKAAHPFGSX-UHFFFAOYSA-N 369.449 5.274 5 40 FKBB CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 1597103 NWDJVRFYXLWLEC-UHFFFAOYSA-N 350.758 5.246 5 40 FKBB O=[N+]([O-])c1ccc(O)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 4854743 YKGJROCVAKPIDB-UHFFFAOYSA-N 355.353 5.150 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3csc(-c4ccco4)n3)nc2c1 58406498 ILKNQOSBKPAUMJ-ZZXKWVIFSA-N 355.400 5.091 5 40 FKBB Cc1c(OCc2cccc(Cl)c2)ccc2c1oc(=O)c1ccccc12 945068 SPJTZHIFGCATBQ-UHFFFAOYSA-N 350.801 5.487 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 2351290 CMQQTFZYXLPAQA-UXHICEINSA-N 366.804 5.479 5 40 FKBB Brc1ccc2c3c4ccccc4ccc3n(-c3ccccc3)c2c1 221155679 SCFYLUFGTCXFSI-UHFFFAOYSA-N 372.265 6.699 5 40 FKBB CC(C)c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1[N+](=O)[O-] 12522193 WUHTXPBXEQDOJR-RMKNXTFCSA-N 363.373 5.345 5 40 FKBB COc1ccc2c(c1)c(=O)oc1cc3occ(-c4ccc(C)cc4)c3cc12 2483179 WMQFEKKIEGEQNT-UHFFFAOYSA-N 356.377 5.676 5 40 FKBB biogenic O=C(Nc1cccc2ccccc12)Nc1cc2cccnc2c2ncccc12 6496669 FPACNKFQQNKDHS-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC 1571821 LLEAEDYSPVHUEP-UHFFFAOYSA-N 367.880 5.373 5 40 FKBB CCc1ccc2c(c1)CCCN2c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59484677 APCKXMLFOGCRFO-UHFFFAOYSA-N 350.340 5.260 5 40 FKBB CC[N+]1(CCCCCCCCCC[N+]2(CC)CCCCC2)CCCCC1 5469475 CUFRUXZJKBYOIW-UHFFFAOYSA-N 366.678 6.148 5 40 FKBB Cc1ccc(C)c2c1c1nc3ccccc3nc1n2Cc1ccccc1Cl 32594506 SWHMJTPZNJRVPB-UHFFFAOYSA-N 371.871 6.056 5 40 FKBB COc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1OC 716866 YRFWUFUFYQEJJH-UHFFFAOYSA-N 354.409 5.554 5 40 FKBB O=C(O)c1cc(-c2c(Cl)cccc2Cl)nc2cc3ccccc3cc12 1766677 LQILJWMXSCINKZ-UHFFFAOYSA-N 368.219 6.060 5 40 FKBB O=[N+]([O-])c1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1 2383521 BUOXHRGLFUUOEM-UHFFFAOYSA-N 352.202 5.087 5 40 FKBB CC(C)(COC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C(C)(C)C)cc1 4587752 CUYKMZBMWZETKE-UHFFFAOYSA-N 369.461 5.318 5 40 FKBB O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)c1 6616308 UMZQQSDAJQIIBO-LJQANCHMSA-N 366.467 6.014 5 40 FKBB CCCOc1cc2nc3c4ccccc4n(CC)c3nc2cc1OCCC 1750643 VDPKULGZYMMUPZ-UHFFFAOYSA-N 363.461 5.335 5 40 FKBB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2627350 ZWCXRCFUVBFRCS-VIFPVBQESA-N 371.245 5.021 5 40 FKBB Cc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408976704 SKMXCOMXAPZHBG-UHFFFAOYSA-N 369.449 5.558 5 40 FKBB Cc1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 32859666 MGJPOKMCKDRGLW-UHFFFAOYSA-N 369.420 5.097 5 40 FKBB O=C(Nc1cccc2ccccc12)Nc1cc2ncccc2c2cccnc12 408974274 DSLUMKODKZAOBP-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB CN1c2ccc3ccccc3c2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2069318 VVBCJLKUVBAFOA-HSZRJFAPSA-N 372.424 5.278 5 40 FKBB Brc1ccc(-c2cn3c(ccc4c5ccccc5ccc43)n2)cc1 18195800 WFHVVPZDCVBFLH-UHFFFAOYSA-N 373.253 6.070 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 409175724 BCZZYGGPPGJMMH-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc([N+](=O)[O-])cc2)c1 3132933 NKNVDKCGBBZOKZ-UHFFFAOYSA-N 373.456 5.237 5 40 FKBB O=[N+]([O-])c1ccc2c3c1[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 17241403 UJPGVUDCJQCZFB-UXHICEINSA-N 370.452 5.472 5 40 FKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SC(C)C 44086839 JFIRNELLWBDJMF-UHFFFAOYSA-N 353.447 5.256 5 40 FKBB CCCCCCn1c(=O)c2ccc3ccc4cccc5cc(c1=O)c2c3c45 226794896 QWLQPCWAVQBABK-UHFFFAOYSA-N 355.437 5.277 5 40 FKBB Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1 990239 HNAUTBFNKNNXKT-UHFFFAOYSA-N 364.452 5.506 5 40 FKBB Cc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 408999014 JTJIKMUCAFSYRZ-WWNPGLIZSA-N 356.425 5.374 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(-c3nc4ccccc4s3)o2)c1 409192838 FSYZMIWNHLHAIY-UHFFFAOYSA-N 356.790 5.785 5 40 FKBB O=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 4062483 BQJIBPPQPCPJCU-UHFFFAOYSA-N 368.392 5.532 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408624078 UERHUSWAJDBIJF-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 1047107 WCGORUWDOFETCK-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB O=C(C[C@@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1ccco1 1098162 HXJMPWGCRBARRY-GOSISDBHSA-N 357.387 5.028 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2)c1 408555748 IFSOGQJWSWSNAS-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]12 409000643 URBSFMIUKKSVBR-PMOQBDJRSA-N 372.424 5.074 5 40 FKBB Clc1nc2c3ccccc3ccc2c2c1sc1ccc3ccccc3c12 2125199 VYPBWWITOPVAGC-UHFFFAOYSA-N 369.876 7.563 5 40 FKBB Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1Cl 11566351 LOXWMIHOLDVINZ-UHFFFAOYSA-N 363.800 5.160 5 40 FKBB Cc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 8571007 FRBKUCLHXSSJJO-UHFFFAOYSA-N 363.369 5.053 5 40 FKBB O=[N+]([O-])c1ccc(Cl)c(Cl)c1Oc1c(Cl)cccc1Cl 2161317 HLUHRZSHLHULJX-UHFFFAOYSA-N 352.988 6.001 5 40 FKBB O=c1c2ccccc2c2ncc(-c3cccs3)c3c4ccccc4n1c23 6624349 QEWYKFKXORAGKQ-UHFFFAOYSA-N 352.418 5.320 5 40 FKBB biogenic Cc1c(NC(=O)c2ccc(CSc3ccccc3)o2)cccc1[N+](=O)[O-] 12896388 PYHWFVUOLJHELU-UHFFFAOYSA-N 368.414 5.041 5 40 FKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1 408998907 QTYGCAAHMKTJGU-MZYLBHOOSA-N 372.424 5.074 5 40 FKBB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 957915 LNZQOZGMMNIBEO-UHFFFAOYSA-N 374.809 5.016 5 40 FKBB C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 408910341 KDKQUWXAHANIJV-FIOICXDGSA-N 372.424 5.013 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 1448924 YVWVQUJEUDRKOA-IBGZPJMESA-N 366.467 6.014 5 40 FKBB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 4144032 KTNYFCMXDMRBAV-QHHAFSJGSA-N 371.607 5.207 5 40 FKBB O=C(CSc1cccc2cccc(Cl)c12)Nc1cccc([N+](=O)[O-])c1 6405957 KLEQHHCQHIWJKG-UHFFFAOYSA-N 372.833 5.132 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2)no1 6868028 XQOIXSDQDGHNSV-UHFFFAOYSA-N 374.783 5.317 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(C)c(C)c1 1768284 BQXVMNXSLRFLPV-UHFFFAOYSA-N 370.452 5.925 5 40 FKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc([N+](=O)[O-])o3)C2=C(O)C1 100719313 JEMNZWIXGZXPAW-GOSISDBHSA-N 353.378 5.059 5 40 FKBB CCc1ccc(-c2nn3c4cc(Cl)ccc4nc3c3ccccc23)cc1 7343300 BCUZYMTYHCHRNU-UHFFFAOYSA-N 357.844 5.919 5 40 FKBB Cc1ccc(Oc2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)cc1 2663912 YBEJVDKWUJMFPT-OVCLIPMQSA-N 374.396 5.347 5 40 FKBB Nc1cc(N)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C\c1ccccc1 4701178 DEBLDHNXANPLEN-HEEUSZRZSA-N 357.413 5.100 5 40 FKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1ccccc1 7684639 VCLHPFKUNBTYOA-UHFFFAOYSA-N 364.426 5.139 5 40 FKBB Cc1ccc(N(C)C(=S)Nc2ccc3nc4ccccc4nc3c2)cc1C 408977908 ZDUPBLOVZMZPAZ-UHFFFAOYSA-N 372.497 5.233 5 40 FKBB Nc1ccc(C(=O)OCc2c3ccccc3cc3ccccc23)c(Cl)c1 226331685 JCUKFPGVULEGNM-UHFFFAOYSA-N 361.828 5.586 5 40 FKBB Cc1c(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cccc1C(F)(F)F 602993637 ISWPJKOBJCLOAX-UHFFFAOYSA-N 373.718 5.219 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3Cl)o2)c([N+](=O)[O-])c1 9668245 HWOVPLGFVVYHBL-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 408998920 QTYGCAAHMKTJGU-WWNPGLIZSA-N 372.424 5.074 5 40 FKBB C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)c1ccccc1 3448316 UAIKTIQSPJAAPQ-MRXNPFEDSA-N 354.405 5.421 5 40 FKBB Cc1ccc(C2=N/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)cc1 4471453 NJJSSSZOPBNLMK-HAHDFKILSA-N 363.416 5.646 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1cc(Cl)ccn1)C1CCCCC1 4994161 FCSGJKSXGDNDPB-UHFFFAOYSA-N 374.828 5.014 5 40 FKBB Cc1cc(C)c2oc(Nc3nc4c(C)cc([N+](=O)[O-])cc4s3)nc2c1 57352709 CMSUXCSIAWANNM-UHFFFAOYSA-N 354.391 5.015 5 40 FKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1 946559 RLQZMVXQWYBIFG-HXUWFJFHSA-N 372.424 5.252 5 40 FKBB CCCCCCN(CCCCCC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 6042105 PLSUAYZSGCSXRB-UHFFFAOYSA-N 368.905 5.851 5 40 FKBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1 1463159 CZMZSCLUADXQHC-HXUWFJFHSA-N 356.425 5.552 5 40 FKBB CCc1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)cc1 6624520 VWQAAYPQSDEAJS-UHFFFAOYSA-N 374.443 5.821 5 40 FKBB biogenic Cc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1C 408973940 CUABSIPGORMCCW-UHFFFAOYSA-N 358.470 5.209 5 40 FKBB CCCN(CCC)C[C@@H](O)c1cccc2c1cc(Cl)c1ccccc12 6380189 JIBLDPJGPINIML-JOCHJYFZSA-N 355.909 5.802 5 40 FKBB O=[N+]([O-])c1ccc(-c2csc(Nc3c(Cl)cccc3Cl)n2)cc1 6414024 AOCLKIVPDLQCOF-UHFFFAOYSA-N 366.229 5.769 5 40 FKBB in-vitro O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1421598 UFAOEYPMYYQDGE-UHFFFAOYSA-N 367.792 5.559 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245377171 IFULABUKMOHPKA-IIDJGBPPSA-N 354.450 5.171 5 40 FKBB CCc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1 1577896 QXCNJVKEGITMFD-UHFFFAOYSA-N 358.484 7.889 5 40 FKBB COc1cccc(/C=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)c1OC 17146308 AINMDERWAGNSEZ-UNOMPAQXSA-N 359.381 5.181 5 40 FKBB O=C(C[C@@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1cccs1 844674 CTFKARBVOMDLRK-GOSISDBHSA-N 373.455 5.497 5 40 FKBB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(Cl)cc1 2272414 YXALAMHJFAZOQX-ZRDIBKRKSA-N 368.776 5.160 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(-c4ccccc4F)o3)nc2c1 12682310 AMESOVJLXIEDJJ-JXMROGBWSA-N 366.373 5.774 5 40 FKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc([N+](=O)[O-])o3)C2=C(O)C1 100719311 JEMNZWIXGZXPAW-SFHVURJKSA-N 353.378 5.059 5 40 FKBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCC1 408999661 RWBFRRDMFFMEGH-UHFFFAOYSA-N 362.458 5.016 5 40 FKBB CCCCN1C=C(c2ccc3ccccc3n2)[C@H](C[N+](=O)[O-])c2ccccc21 4046855 TWSGBFAOSUKOKN-LJQANCHMSA-N 373.456 5.256 5 40 FKBB O=C(Nc1cccc2ccccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 5777383 GQDFRHVOTQERCC-UHFFFAOYSA-N 358.353 5.260 5 40 FKBB COc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)c([N+](=O)[O-])c1 85345479 XHSWQUSJCRVABZ-UHFFFAOYSA-N 369.764 5.060 5 40 FKBB Cc1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 1134885 FGZKDAOOWUYGMU-XDJHFCHBSA-N 358.397 5.083 5 40 FKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 5948595 GCRWWGWHPPFKBJ-UHFFFAOYSA-N 365.841 5.320 5 40 FKBB C=Cc1ccc(COc2cc(O)c3c(=O)c4cccc(C)c4oc3c2)cc1 4088099 YTOOYMDBQOUPGK-UHFFFAOYSA-N 358.393 5.182 5 40 FKBB biogenic O=[N+]([O-])c1ccccc1-c1ccc(/C=C(\Cl)c2nc3ccccc3o2)o1 15189242 HJVUDTZYCVRCIJ-KAMYIIQDSA-N 366.760 5.733 5 40 FKBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57352619 DSVMXRJVVFQQJO-UHFFFAOYSA-N 368.418 5.521 5 40 FKBB O=C(Nc1ccc(Oc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991220 UFBMGLZWSCCUDW-UHFFFAOYSA-N 374.396 5.057 5 40 FKBB O=[N+]([O-])c1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)ccc1Cl 7333514 KEYJVHOGFALBSA-WZUFQYTHSA-N 368.201 5.097 5 40 FKBB Cc1noc(/C=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c1[N+](=O)[O-] 408542188 HWVBIRANGQWIEX-DAXSKMNVSA-N 365.172 5.628 5 40 FKBB O=C(Nc1ccccc1Cl)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975969 OBLIWUQVVRMREU-UHFFFAOYSA-N 372.815 5.170 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2ccccc2c1CO 409110636 FOPYWCOJZPOZST-UHFFFAOYSA-N 363.291 5.051 5 40 FKBB O=[N+]([O-])c1ccc2c3c1[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 2188431 UJPGVUDCJQCZFB-PMACEKPBSA-N 370.452 5.472 5 40 FKBB Cc1noc(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1[N+](=O)[O-] 2887219 URWAGURGANUYRQ-SOFGYWHQSA-N 364.279 5.340 5 40 FKBB CC(C)CCOc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1 6375259 UZCJSLFMHRDJNO-RMKNXTFCSA-N 362.429 5.738 5 40 FKBB Cc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)cc1 1463199 FOHGGAWMVAOFGN-FQEVSTJZSA-N 372.424 5.263 5 40 FKBB Cc1ccc(S(=O)(=O)n2c3ccccc3c3[nH]c4ccc(C)cc4c32)cc1 2427742 IMMRUGWIWGDCJM-UHFFFAOYSA-N 374.465 5.130 5 40 FKBB C[C@H](Sc1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5462681 AOVLTKVLZJYUFK-JTQLQIEISA-N 361.810 5.152 5 40 FKBB CC(C)(C)NC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 6363821 XIOLRZHXMRQZEV-UHFFFAOYSA-N 366.515 5.083 5 40 FKBB Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 8372260 CQRYBSKXKPTUDJ-UHFFFAOYSA-N 363.369 5.053 5 40 FKBB O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 33658905 ZZJAUQYHZXVNLA-AATRIKPKSA-N 358.608 5.473 5 40 FKBB O=[N+]([O-])c1ccc([C@@H](Nc2cccnc2)Sc2ccc(Cl)cc2)cc1 1061003 UBKKSRKBIVIXGI-SFHVURJKSA-N 371.849 5.546 5 40 FKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 3307050 MAYDLTSUFXMLKM-UHFFFAOYSA-N 367.213 5.369 5 40 FKBB COc1ccc(-c2coc3cc4oc(=O)c5ccccc5c4cc23)cc1F 2483175 JTEBEYGQDZXVTM-UHFFFAOYSA-N 360.340 5.507 5 40 FKBB aggregator O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(Oc4ccccc4)cc3)nc2c1 6083843 YXGJULUBVKEDFQ-MDWZMJQESA-N 374.421 6.167 5 40 FKBB O=C(CCC1CCCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6333571 AVWJCQBINOUSEC-UHFFFAOYSA-N 359.451 5.017 5 40 FKBB O=[N+]([O-])c1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c2ccncc12 65575523 UEDOWWAWBBPDEW-IBGZPJMESA-N 353.809 5.360 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)c1 408558846 SQSXXCBZSWMJNM-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB CCCn1c(-c2ccc(OC)cc2)cn2c3ccc4ccccc4c3nc12 1252996 IJHHZJOGZXYSGI-UHFFFAOYSA-N 355.441 5.528 5 40 FKBB CCn1c2ccccc2nc2cc3c(cc21)c(Cl)c(=O)c1ccccc13 5389914 HFGXSHZHMMUJDB-UHFFFAOYSA-N 358.828 5.529 5 40 FKBB CCCN(CCC)C[C@H](O)c1ccc2ccc3ccc(Cl)cc3c2c1 6380166 HPUVIGQZMVHBRT-QFIPXVFZSA-N 355.909 5.802 5 40 FKBB Cc1cccc(Nc2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 6755819 OKTXERMQQREOAU-UHFFFAOYSA-N 356.385 5.257 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 4390798 MQCCBVHWXYUTAT-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB COc1ccc(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)cc1 4538819 HZMTZIBKYGHSPK-UHFFFAOYSA-N 362.452 5.945 5 40 FKBB CC(=O)Nc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 12550954 YRLUGQRRHKJMCP-UHFFFAOYSA-N 351.409 5.495 5 40 FKBB CCCn1c(NCc2c3ccccc3cc3ccccc23)nc2ccccc21 13552922 LKTHSFOUMKLZPR-UHFFFAOYSA-N 365.480 6.365 5 40 FKBB Cc1cccc(OCCn2c3ccccc3c3nc4ccccc4nc32)c1 1448950 HJJSGOBAMBWRIQ-UHFFFAOYSA-N 353.425 5.125 5 40 FKBB O=[N+]([O-])c1ccc(O)c(/C=C/c2ccc3oc(-c4ccccc4)nc3c2)c1 34903288 XPXXEWJNTJGXHS-SOFGYWHQSA-N 358.353 5.279 5 40 FKBB COc1cccc(/C=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)c1OC 1724440 AINMDERWAGNSEZ-XDHOZWIPSA-N 359.381 5.181 5 40 FKBB O=[N+]([O-])c1ccc2c3c1[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 4181512 UJPGVUDCJQCZFB-VQTJNVASSA-N 370.452 5.472 5 40 FKBB Cc1c(NC(=O)CCCSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 15790863 JYVYTQNRSCVZDT-UHFFFAOYSA-N 364.854 5.068 5 40 FKBB O=C(c1ccccc1[N+](=O)[O-])N(c1ccccc1)c1ccc2ccccc2c1 787717 YHPULWNBBWBEBZ-UHFFFAOYSA-N 368.392 5.727 5 40 FKBB c1ccc(CSc2nnc3c4ccccc4c4ccccc4c3n2)cc1 1573829 VNLBCJYVPMIDDO-UHFFFAOYSA-N 353.450 5.624 5 40 FKBB in-vitro Cc1ccc(N(C)C(=S)Nc2cc3cccnc3c3ncccc23)cc1C 408975958 NYVDKJJCHOVWDJ-UHFFFAOYSA-N 372.497 5.233 5 40 FKBB Cc1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1C 104370020 NAMZWZFTGBQJKG-UHFFFAOYSA-N 358.470 5.209 5 40 FKBB CC(C)(C)c1ccc(OC(=O)c2ccc3nc4ccccc4nc3c2)cc1 408975086 JWKIEASEIWQUHU-UHFFFAOYSA-N 356.425 5.300 5 40 FKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 2197433 GAPSVYJFPRXJFO-UHFFFAOYSA-N 353.425 5.103 5 40 FKBB O=C(CCSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 59291568 NNOWTXVAXRIDMS-UHFFFAOYSA-N 371.245 5.023 5 40 FKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 75106814 HOSDQVFZRVEWNG-UHFFFAOYSA-N 360.800 6.130 5 40 FKBB O=[N+]([O-])c1cccc(Cl)c1Oc1cc(Cl)c(Cl)cc1Cl 1714708 PRUOTBZRCQWFNT-UHFFFAOYSA-N 352.988 6.001 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1ccc(Cl)cc1 2577656 SXVZVDMPTDTBEY-UHFFFAOYSA-N 352.095 5.713 5 40 FKBB CCCCN(CCCC)C[C@@H](O)Cc1cc2ccccc2c2ccccc12 5973427 VYNRNGBJGPLAGA-QFIPXVFZSA-N 363.545 5.799 5 40 FKBB C[C@H]1CCCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774804 WEXYLSBFOCEEKQ-KBXCAEBGSA-N 362.433 5.196 5 40 FKBB C[N+](C)(CCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 1702145 CZZFJNRLJJVUIP-UHFFFAOYSA-N 354.582 5.100 5 40 FKBB O=[N+]([O-])c1ccc2oc(-c3ccc4c(c3)OCCCCO4)cc(=S)c2c1 2272883 QHZCYIICUBOPQR-UHFFFAOYSA-N 369.398 5.289 5 40 FKBB O=C(Nc1cccc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccccc21 13717177 OLVSNUBCLYUAEQ-UHFFFAOYSA-N 363.398 5.430 5 40 FKBB Cc1ccc(Nc2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 3330924 KLCQKWRTOJAQPX-UHFFFAOYSA-N 356.385 5.257 5 40 FKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1 408553635 BCQTTWRWQBFBNR-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB CCc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408619588 JPAHEKUIGATCKC-UHFFFAOYSA-N 370.792 5.323 5 40 FKBB CC(C)CCOc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 5560283 GWMRKOPKVTVYIG-BJMVGYQFSA-N 368.458 5.800 5 40 FKBB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6585738 HARXCGVDJJPEIC-VIFPVBQESA-N 371.245 5.021 5 40 FKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 59477505 BQSPXPINQGTUGK-DHZHZOJOSA-N 368.776 5.160 5 40 FKBB CC(C)(C)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(C(C)(C)C)c1 6882995 CINWEJXQVFSFEM-UHFFFAOYSA-N 355.434 5.409 5 40 FKBB O=[N+]([O-])c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 12376182 JFLJVMDQEKKXKN-OYRHEFFESA-N 370.452 5.472 5 40 FKBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 408909069 GJFCHOLKPOYXCD-JMMZKRSASA-N 372.424 5.013 5 40 FKBB O=[N+]([O-])c1ccc(/C=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 17004762 XGZYKGWTODTUFL-AQTBWJFISA-N 351.365 5.107 5 40 FKBB Cc1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C)c3cc12 3845027 UIDYTRYBPUDXLD-UHFFFAOYSA-N 360.460 6.734 5 40 FKBB biogenic Cc1ccc(NCC/N=c2\cc(C)[nH]c3c2ccc2ccccc23)c(C)c1 5797169 GLBAZZLQWDBECH-UHFFFAOYSA-N 355.485 5.259 5 40 FKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 409116351 LPRDMNIQYXHPSL-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1 1406352 KZHCZSXXKVIURA-UHFFFAOYSA-N 362.994 5.456 5 40 FKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccccc4)c3cc12 2137513 DVXZRYVLUBMGHN-UHFFFAOYSA-N 356.377 5.676 5 40 FKBB biogenic CC(C)=CCCC1=CC[C@@H]([C@H]2OC[C@@H](C[N+]3(C)CCCCC3)O2)[C@H](C)C1 100741574 FSCUZZBYWCMCOK-ADHNFCLRSA-N 362.578 5.077 5 40 FKBB O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccccc3Cl)c2)c1 408559762 WHWMTWYLBRBSFX-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc(N)cc3)c2c1 5550290 DKBCHQPZEVLSDX-UHFFFAOYSA-N 366.873 5.783 5 40 FKBB Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 408625786 YDDXHTLNOOYBJH-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB Cc1ccc(OCCOC(=O)c2c3ccccc3cc3ccccc23)cc1 5743555 KBVHVUDORXHBTF-UHFFFAOYSA-N 356.421 5.537 5 40 FKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)cc1 5142063 GVRGBAHCYORBGB-UHFFFAOYSA-N 369.804 5.503 5 40 FKBB O=C(Nc1ccc2ccccc2c1)Nc1cc2cccnc2c2cccnc12 408973348 AOGQFAOQOJCBIV-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB Cc1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 409176534 QIWLRRXQVKPALW-UHFFFAOYSA-N 363.369 5.053 5 40 FKBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cccc(Br)c3)nc12 6566116 RLTWFNLCFOIRSF-VQHVLOKHSA-N 355.191 5.076 5 40 FKBB aggregator Brc1cnc2nc3c4ccccc4c4ccccc4c3nc2c1 3078649 GZWSPBBCDBZHOW-UHFFFAOYSA-N 360.214 5.247 5 40 FKBB Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccc([N+](=O)[O-])cc1 4270033 BMMRUSHWOZZNFR-SFHVURJKSA-N 364.430 5.043 5 40 FKBB COc1ccccc1-c1c2cnn(C(C)C)c2nc2c1oc1cc(O)ccc12 96113849 RUHJUWCZUGMHRS-UHFFFAOYSA-N 373.412 5.293 5 40 FKBB biogenic CC(C)(C)n1cc2c3cn(C(C)(C)C)cc3c3cn(C(C)(C)C)cc3c2c1 71256554 FJPKKVYNLMYRBT-UHFFFAOYSA-N 363.549 6.816 5 40 FKBB Cc1ccc(C)c(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 409117044 MXJVXGHLHHSMAA-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccccc1OC 940233 JYGVEYGXAAINNO-UHFFFAOYSA-N 372.424 5.317 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Oc1ccccc1 3262611 JTIUMCSJOFNFBZ-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 4515017 RJSPBBFUHHVPPQ-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1F 408621092 NPFHKZLTHIXMHE-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccccc2)cc1 1004560 CMNJWLYIFAUUJB-FQEVSTJZSA-N 372.424 5.252 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c([N+](=O)[O-])c1 408619499 IQVURHXVJLGHAU-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB c1ccc(-c2ccc(-c3nc4ccc5ccccc5c4c4c3CCC4)cc2)cc1 2273327 PZNPJIQAQIIUGD-UHFFFAOYSA-N 371.483 7.211 5 40 FKBB CCSc1ccc(NCc2cc(=O)oc3ccc4ccccc4c23)cn1 63774225 DZDWDMKXEAXFRU-UHFFFAOYSA-N 362.454 5.065 5 40 FKBB Cc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1C 2121838 USFZOABEVFZDCU-UHFFFAOYSA-N 371.436 5.228 5 40 FKBB biogenic Cc1cccc(Nc2nnc(SCc3cccc([N+](=O)[O-])c3)s2)c1C 3288313 HHEHONONITXXFA-UHFFFAOYSA-N 372.475 5.099 5 40 FKBB CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2 223021123 JLSGXXYWALSXJR-LJQANCHMSA-N 372.852 5.008 5 40 FKBB CC[N+]1(CC)Cc2cc3ccccc3c(-c3cccc4ccccc34)c2C1 1899977 BFFPKJOOZRCQKG-UHFFFAOYSA-N 352.501 6.530 5 40 FKBB O=[N+]([O-])c1cc(-c2ccc(-c3nc4ccccc4s3)o2)ccc1Cl 409191605 JAKZYYNOWUJHSA-UHFFFAOYSA-N 356.790 5.785 5 40 FKBB O=C(Nc1ccc2ccccc2c1)Nc1cc2cccnc2c2ncccc12 6496721 DCFXZYUAJUFWJX-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB COc1ccc(-c2coc3c(C)c4oc(=O)c5ccccc5c4cc23)cc1F 2283569 QHEKVIWJIKHSIR-UHFFFAOYSA-N 374.367 5.816 5 40 FKBB O=c1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c2ccccc12 1797653 APKWWCPHPUFCBL-UHFFFAOYSA-N 371.219 5.832 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1csc(-c2ccccc2)n1 2066693 RDVKGDIZZMGQOB-UHFFFAOYSA-N 355.418 5.737 5 40 FKBB Nc1ccc2c(SCc3ccc([N+](=O)[O-])cc3)c3ccccc3nc2c1 5594112 AVIAVVISMHVVAC-UHFFFAOYSA-N 361.426 5.171 5 40 FKBB O=[N+]([O-])c1ccc(Sc2ccccc2)c(-c2nc3ccccc3s2)c1 409196387 ZVRWYLFOHFXYNL-UHFFFAOYSA-N 364.451 6.023 5 40 FKBB CC1=Cc2cc([N+](=O)[O-])ccc2S[C@]12N(C)c1ccccc1C2(C)C 2048985 YPWPNPINWOJFNS-HXUWFJFHSA-N 352.459 5.228 5 40 FKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccc(F)cc4)c3cc12 2197874 UNPRXPOMXWZRAP-UHFFFAOYSA-N 374.367 5.816 5 40 FKBB c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1 12561362 NRNMJBKBDMSYLI-UHFFFAOYSA-N 370.455 6.999 5 40 FKBB O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1 12960349 VWFHANPPPSJOBJ-UHFFFAOYSA-N 358.357 5.074 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 1559649171 IFULABUKMOHPKA-KUBVQFIISA-N 354.450 5.171 5 40 FKBB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OCC[N+](C)(C)C)cc1 1758544 WTUQWTTWILGWQY-RPWUZVMVSA-N 370.557 5.468 5 40 FKBB c1ccc2cc3c(Nc4ccc(N5CCCCCC5)cc4)ccnc3cc2c1 2605597 PXCYPLLNSFPPBS-UHFFFAOYSA-N 367.496 6.512 5 40 FKBB Cc1noc(/C=C\c2ccccc2OCc2ccc(Cl)cc2)c1[N+](=O)[O-] 33750256 LRZVLDKBOQIEEJ-FLIBITNWSA-N 370.792 5.294 5 40 FKBB CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc21 835927 UGRDQUXWJYLCEI-XYOKQWHBSA-N 362.429 5.145 5 40 FKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)/C(=C/c1ccco1)c1ccccc1 218101024 JGCDWFIOVCCXOL-FOWTUZBSSA-N 368.776 5.021 5 40 FKBB O=[N+]([O-])c1ccc(C2=CSC(c3ccc([N+](=O)[O-])cc3)=CS2)cc1 16401214 PTCJODTWSGSVEY-UHFFFAOYSA-N 358.400 5.280 5 40 FKBB Cc1noc(/C=C/c2cccc(OCc3cccc(Cl)c3)c2)c1[N+](=O)[O-] 7602768 VRJKVYLOHPAWGF-CMDGGOBGSA-N 370.792 5.294 5 40 FKBB O=C(O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 226302675 NEHVJYWQKLCBBF-UHFFFAOYSA-N 367.401 5.021 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc(Cl)c1)N2 250123457 URVOQILKAAIDGO-ROILNYFKSA-N 354.837 5.545 5 40 FKBB CC[C@@H]([C@@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] 1640935 FYMLWUOEFLJYOV-HOTGVXAUSA-N 358.652 5.834 5 40 FKBB CC(C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 6359035 WQEZJISLZOOCIZ-UHFFFAOYSA-N 350.374 5.231 5 40 FKBB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 6832509 YBSHGLXJZULXEV-LLVKDONJSA-N 371.418 5.077 5 40 FKBB COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1 12548930 BDLUQLMMMYRZMX-UHFFFAOYSA-N 374.371 5.625 5 40 FKBB O=C(C[C@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1ccco1 1098163 HXJMPWGCRBARRY-SFHVURJKSA-N 357.387 5.028 5 40 FKBB Cc1ccc2sc3ccc(NC(=O)c4cccs4)cc3c(=O)c2c1 4014237 XDHYNFDPPOYLIN-UHFFFAOYSA-N 351.452 5.037 5 40 FKBB Cc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1 408993579 WIQZGHQPVJFCEQ-PMVMPFDFSA-N 356.425 5.374 5 40 FKBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1 1463237 DXVMFFKKFVZQNC-OAQYLSRUSA-N 370.452 5.562 5 40 FKBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 6155410 BROYKSZNYSTNPH-BQYQJAHWSA-N 368.216 5.219 5 40 FKBB O=[N+]([O-])c1cccc(-c2cnc(-c3ccccc3)cc2-c2ccccc2O)c1 104159288 KKZKRYFKVLUEMI-UHFFFAOYSA-N 368.392 5.696 5 40 FKBB O=[N+]([O-])C[C@@H](c1ccc(F)cc1)c1c(-c2ccccc2)[nH]c2ccccc12 1463233 HEQSFVQQKYCQDC-IBGZPJMESA-N 360.388 5.383 5 40 FKBB O=[N+]([O-])c1cccc(/C=C2\CCc3cnn(-c4ccc5ccccc5c4)c32)c1 5602680 OFGYIRVFPPUKAG-XDHOZWIPSA-N 367.408 5.421 5 40 FKBB CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc21 835924 AVUUTUCUXOYDFY-XYOKQWHBSA-N 362.429 5.145 5 40 FKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2c(Cl)cccc12 9141721 SGNSKNDFUDYUEG-UHFFFAOYSA-N 361.184 5.307 5 40 FKBB O=C1OC(Cc2ccccc2)=N/C1=C/c1c2ccccc2cc2ccccc12 408848251 VEAPQFQYSNUAJH-XQNSMLJCSA-N 363.416 5.532 5 40 FKBB Cc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1C 21596008 AFFJGTREMRMEBM-UHFFFAOYSA-N 360.822 5.332 5 40 FKBB O=C(Nc1cccc(Cl)c1F)c1cc2ccccc2c2cccnc12 58186548 MEQONOQQLTZYGW-UHFFFAOYSA-N 350.780 5.433 5 40 FKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3cccnc3)=Nc3ccccc3S2)c1 1448936 JZUZBIOVYOCJDC-FQEVSTJZSA-N 361.426 5.348 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H]2CCc3ccccc32)o1 84581889 FZWQGLOSJRXHOS-GOSISDBHSA-N 368.820 5.285 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1 5033209 SCJTYBYLJNUTAH-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB CC(C)C(=O)Oc1ccc(Sc2ccccc2[N+](=O)[O-])c2ccccc12 3191241 QFUBTFUUEILOJY-UHFFFAOYSA-N 367.426 5.461 5 40 FKBB Cc1cccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1C 409120006 SCIGBUYUAHHKAB-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB COc1cc(OC)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 666346 ATYUICSTFUXHTC-UHFFFAOYSA-N 354.409 5.554 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3ccc(C(F)(F)F)cc3)sc2c1 15084479 SFPJEWIBUQJUMC-UHFFFAOYSA-N 368.292 5.404 5 40 FKBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2668015 MPDHVZLRFIYROD-UHFFFAOYSA-N 357.844 5.748 5 40 FKBB Cc1noc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1[N+](=O)[O-] 9235685 GYSKWNCGGILUSO-CMDGGOBGSA-N 358.438 5.362 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2Br)cc1 7653663 BTGVYYMMXMVYOH-UHFFFAOYSA-N 358.191 5.090 5 40 FKBB Cc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 408999011 JTJIKMUCAFSYRZ-PUHATCMVSA-N 356.425 5.374 5 40 FKBB c1ccc2c(c1)cc(Nc1cc3ccccc3c3ccccc13)c1ccccc12 16525706 VKDYMBSKPSJOQR-UHFFFAOYSA-N 369.467 8.043 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2CC=C(c3ccccc3)c3nc4ccccc4n32)cc1 72332450 PSDMDUFWLOEJDF-NRFANRHFSA-N 367.408 5.369 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)cc1 1463165 MHFRTPOLTDXMDD-NRFANRHFSA-N 370.452 5.860 5 40 FKBB Fc1cccc(CSc2nc3ccccc3c3nc4ccccc4n23)c1 2959600 HJRFXHJUAALHJG-UHFFFAOYSA-N 359.429 5.467 5 40 FKBB Cc1cccc(Oc2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)c1 2632331 LVTQUWBWRRHFSF-NTEUORMPSA-N 374.396 5.347 5 40 FKBB CCN(CC)C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 6710686 OXPYZHGUVBITJB-UHFFFAOYSA-N 366.515 5.036 5 40 FKBB Cc1cccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1C 409120441 VYOHSZGDQOYENA-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB Cc1nn(-c2ccccc2)c2nc3c4ccccc4c4ccccc4c3nc12 16266368 RJOYQUUCZGFFSL-UHFFFAOYSA-N 360.420 5.584 5 40 FKBB O=C(Nc1ccccc1Cl)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408722144 PCNISSHRWJHIHH-UHFFFAOYSA-N 372.815 5.170 5 40 FKBB Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C)cc1 4976343 KSHQZLQTYWHPMI-UHFFFAOYSA-N 360.413 5.059 5 40 FKBB Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408623337 SMYBMRLHWJKXDE-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4cccnc4)[nH]c3c21 1547208915 HUDIGLHVHNMIQN-UHFFFAOYSA-N 363.420 6.294 5 40 FKBB biogenic CC[C@@H]([C@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] 1640937 FYMLWUOEFLJYOV-JKSUJKDBSA-N 358.652 5.834 5 40 FKBB Cc1cccc(Oc2cc(NC(=O)c3ccccc3F)cc([N+](=O)[O-])c2)c1 710880 ZVBVPYCVGYQIQW-UHFFFAOYSA-N 366.348 5.087 5 40 FKBB Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1C 1774771 IOQOGYXQGKNMHE-UHFFFAOYSA-N 370.412 5.565 5 40 FKBB Cc1nn(-c2ccccc2)c(C)c1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 6786517 NMQRTUFLLHPQHL-BUHFOSPRSA-N 370.412 5.116 5 40 FKBB C[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)cc3O)c2C1 100109750 LBOWYECCUMALTD-AWEZNQCLSA-N 355.437 5.591 5 40 FKBB CCCCOc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1689072 AOQOXPPRTCVMPF-UHFFFAOYSA-N 355.312 5.585 5 40 FKBB in-vivo O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc3ccccc13)N2 250517666 XAYBXKFWNUQFAR-VYKIUPSASA-N 370.452 6.045 5 40 FKBB CC(C)(C)c1ccc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc1 2189309 BRUZRTVSHUBISK-UHFFFAOYSA-N 355.437 6.051 5 40 FKBB CC(C)Oc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 2303578 VZDSXIMRSWGWSO-UHFFFAOYSA-N 367.452 5.573 5 40 FKBB CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 1684101 KKGIYAIKGWQFNU-UHFFFAOYSA-N 350.212 5.447 5 40 FKBB Cc1ccc(N(C)C(=O)Nc2cc3ccncc3c3ncccc23)cc1C 408976160 PUWUPXROZSVWSE-UHFFFAOYSA-N 356.429 5.068 5 40 FKBB COc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 2419672 NYHBYIPREYRBAZ-UHFFFAOYSA-N 353.425 5.103 5 40 FKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 46086063 MIMIJRVSKZIMHZ-UHFFFAOYSA-N 368.389 5.081 5 40 FKBB Clc1nc2cc(Br)ccc2c2ccc(Br)cc12 1721135 LFSFTELECNLNLR-UHFFFAOYSA-N 371.459 5.566 5 40 FKBB O=[N+]([O-])c1cc(-c2csc(-c3ccc(Cl)cc3)n2)sc1Cl 2150785 JSSQHQCOVDQAPH-UHFFFAOYSA-N 357.243 5.754 5 40 FKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 3669081 XRHYYAKJAHXIPF-UHFFFAOYSA-N 359.360 5.458 5 40 FKBB CC(C)(C)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1 6305180 ZZDNNKMGTIZNHX-UHFFFAOYSA-N 369.461 5.547 5 40 FKBB CC(C)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 21596128 LCHZJILQFIIMSN-UHFFFAOYSA-N 374.849 5.839 5 40 FKBB O=C1O/C(=C(/Cl)c2c3ccccc3cc3ccccc23)c2ccccc21 1639384 ATVGZQGJWVXZJF-QURGRASLSA-N 356.808 6.228 5 40 FKBB CCOc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC[C@H]3C)cc1 4622409 WBZILFDMNBFWBW-QGZVFWFLSA-N 367.492 6.894 5 40 FKBB CCCCc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 6635978 RSYROIJPGKICRB-UHFFFAOYSA-N 364.401 5.450 5 40 FKBB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 20038367 KEIKFSBIVREGFB-INIZCTEOSA-N 364.854 5.066 5 40 FKBB Cc1cc(NC(=O)c2cccc3ccccc23)c2ccc3ccccc3c2n1 40384383 ONTZBFBSNVDMRB-UHFFFAOYSA-N 362.432 6.102 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1/C=C\c1ccccc1 5080545 XRQIISCOFYUANL-HEEUSZRZSA-N 372.380 5.844 5 40 FKBB COc1ccc(Cn2c3nc4ccccc4nc3c3cc(C)cc(C)c32)cc1 5323125 AUVXVRGKRNHLPL-UHFFFAOYSA-N 367.452 5.411 5 40 FKBB Cc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 409128506 FUCLFFYBEKLIPE-UHFFFAOYSA-N 362.429 5.403 5 40 FKBB CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](C[N+]3(C)CCCCC3)O2)[C@@H](C)C1 4025065 FSCUZZBYWCMCOK-KZKAQZJJSA-N 362.578 5.077 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 5033194 QZJHAVVIEGDHQS-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB C[C@H](c1ccc(Br)cc1)[N+]1(C)SC(=S)C2=C1CCCC2 5528943 QTAXHJNAQOPSCS-SSJGJQFISA-N 369.373 5.774 5 40 FKBB c1ccc([C@H]2c3c(c4ccccc4c4ccccc34)O[C@H]2c2ccccc2)cc1 1715115 MTILRKCWWWZXOH-BDYUSTAISA-N 372.467 7.259 5 40 FKBB O=C(c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccs1 4578475 DZLIPZRQMHIVLV-UHFFFAOYSA-N 359.790 5.333 5 40 FKBB Cc1cc([N+](=O)[O-])cc2nc(-c3cc(Br)ccc3Cl)oc12 73639479 BVCKBWMOFATWFJ-UHFFFAOYSA-N 367.586 5.127 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 947299 FHDKIBQIWDGOFF-HXUWFJFHSA-N 374.415 5.691 5 40 FKBB CC[C@H]([C@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] 1640938 FYMLWUOEFLJYOV-HZPDHXFCSA-N 358.652 5.834 5 40 FKBB Cc1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)o1 6624377 OANRQQKRJOFZQJ-UHFFFAOYSA-N 350.377 5.160 5 40 FKBB biogenic CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCC1 95474554 KOAFRDTZYIQJQV-UHFFFAOYSA-N 365.433 5.056 5 40 FKBB CC(=O)OCCCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-] 1699601 ZPDYAHMIKLXMBU-CYVLTUHYSA-N 363.413 5.344 5 40 FKBB CC(C)N(CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1)C(C)C 1676205 VQPFZENULFYSJS-UHFFFAOYSA-N 353.893 5.948 5 40 FKBB O=[N+]([O-])c1ccc2nc3c(c(-c4ccccc4)c2c1)CSc1ccccc1-3 3339754 JXQXGDOSDRXONF-UHFFFAOYSA-N 370.433 6.083 5 40 FKBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)Nc1cccc(C(F)(F)F)c1 6550120 AQGBQEGPXYOSRF-UHFFFAOYSA-N 369.368 5.039 5 40 FKBB O=C(O)CCC(=O)Nc1cccc2c1cc1ccc3cccc4ccc2c1c34 22048914 MSMUODXDXXPYJQ-UHFFFAOYSA-N 367.404 5.541 5 40 FKBB in-vitro COc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 1079773 CYNCAFAEHUTNFQ-UHFFFAOYSA-N 353.425 5.103 5 40 FKBB O=C(CCC1CCCCC1)Nc1ccc2sc3ccccc3c(=O)c2c1 4693987 BAQVBYBOKQNIGK-UHFFFAOYSA-N 365.498 5.714 5 40 FKBB Cc1cc(Cl)ccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 408801885 WKHIXRJDYZICAA-UHFFFAOYSA-N 363.800 5.160 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1N=c1c2ccccc2oc2ccccc12 4199328 FLAXBCJMBZKXTC-UHFFFAOYSA-N 350.761 5.380 5 40 FKBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(C)(C)C)cc1 10111774 AZNSCIRVLBWBSP-GFCCVEGCSA-N 360.841 5.037 5 40 FKBB O=c1oc2cc3occ(-c4ccc5ccccc5c4)c3cc2c2ccccc12 2212848 NXKBVXNCFTWISE-UHFFFAOYSA-N 362.384 6.513 5 40 FKBB Cc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 3954520 PFFYFNYHJJAZOY-JOCHJYFZSA-N 374.465 6.261 5 40 FKBB in-vitro Cc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 4725773 GEUZHSYYZOYBET-UHFFFAOYSA-N 350.330 5.271 5 40 FKBB COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)[nH]2)cc1 862043 WKQIXWOVPHNRGK-UHFFFAOYSA-N 371.396 5.328 5 40 FKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12 4611961 CZZUTHBFQNIPSH-UHFFFAOYSA-N 369.380 5.062 5 40 FKBB C[C@H]1CCCc2c(-c3ccc(Cl)cc3)nc3ccc4ccccc4c3c21 4615521 NJHWWOBVEAQMIH-HNNXBMFYSA-N 357.884 7.148 5 40 FKBB C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C12CC3CC(CC(C3)C1)C2 5940327 LJDZGYKFWNWKMV-JHMRYYBSSA-N 351.450 5.160 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2c(ccc3ccccc32)s1 4079345 OMAGQZWBCZSVBF-UHFFFAOYSA-N 364.386 5.002 5 40 FKBB Cc1ccc(-c2nn3c4cc(Cl)ccc4nc3c3ccccc23)cc1C 16312636 YELAGJGYZQZVPI-UHFFFAOYSA-N 357.844 5.973 5 40 FKBB Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 3848496 RNXCQVKQNXKMJK-UHFFFAOYSA-N 363.369 5.838 5 40 FKBB biogenic Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1C 408617008 BATZEMMVGZHKJV-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2)cs1 787446 RPFIZFIDZMHTMJ-UHFFFAOYSA-N 355.418 5.737 5 40 FKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)oc1ccccc12 223376601 IUUZTQLGTVXAIB-DHZHZOJOSA-N 358.353 5.146 5 40 FKBB Cc1ccc(OCCCn2c3ccccc3c3nc4ccccc4nc32)cc1 2667997 OWVOETNUWOBQRS-UHFFFAOYSA-N 367.452 5.515 5 40 FKBB C[N+]1(CCCCCCCCCC[N+]2(C)CCCCCC2)CCCCCC1 4747933 AYQVTVJCMWTORZ-UHFFFAOYSA-N 366.678 6.148 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1cccc2cccnc12 721817 MNKDPDXBUCCJBR-UHFFFAOYSA-N 350.321 5.313 5 40 FKBB Cc1cc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cs1 4843992 WVQOTULKTOYPII-FQEVSTJZSA-N 363.442 5.320 5 40 FKBB Cc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ccccc3S2)cc1 5810722 UKAMSRDHYLNTCB-QFIPXVFZSA-N 374.465 6.261 5 40 FKBB Cc1c(Cl)cccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 408812435 SNDJFNFTFJJBAQ-UHFFFAOYSA-N 363.800 5.160 5 40 FKBB Cc1ccc(C(C)(C)C)cc1Sc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2646453 VAHCNXHYAVMSFZ-UHFFFAOYSA-N 369.408 6.371 5 40 FKBB C[C@@H]1CCCc2c(-c3ccc(Cl)cc3)nc3ccc4ccccc4c3c21 4615519 NJHWWOBVEAQMIH-OAHLLOKOSA-N 357.884 7.148 5 40 FKBB c1ccc(-c2nnc(-c3cc4ccccc4n4c3nc3ccccc34)o2)cc1 1775966815 BODXPOAWUSUUMF-UHFFFAOYSA-N 362.392 5.358 5 40 FKBB c1ccc2c(CN3CCCCC3)c3ccccc3c(CN3CCCCC3)c2c1 3018568 PFDLZDOYLGOGKS-UHFFFAOYSA-N 372.556 5.965 5 40 FKBB Cc1ccc(N(C)C(=O)Nc2cc3cccnc3c3ncccc23)cc1C 6477936 GCIXBWNUALLDHG-UHFFFAOYSA-N 356.429 5.068 5 40 FKBB COc1ccc(-c2c/c(=N\c3ccccc3)c3cc([N+](=O)[O-])ccc3o2)cc1 13511604 GTYNWFMNSOWDLZ-BSYVCWPDSA-N 372.380 5.249 5 40 FKBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352611 IOWJQCMTXJSXGY-UHFFFAOYSA-N 360.782 5.051 5 40 FKBB O=c1c2ccccc2oc2cc(OCc3ccc(Cl)cc3F)cc(O)c12 8519996 YNOPPBXJJKBXMN-UHFFFAOYSA-N 370.763 5.023 5 40 FKBB Cc1ccc(-c2nc(Cc3ccccc3)c3ccc4ccccc4c3n2)cc1 57291939 MWJWEFYSCMFCBG-UHFFFAOYSA-N 360.460 6.349 5 40 FKBB O=C(Nc1ccc(-c2ccccc2)cc1)c1coc2ccc([N+](=O)[O-])cc12 142653344 YJYXMOKZAINQBK-UHFFFAOYSA-N 358.353 5.260 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 168066076 SBXZOCXAKCVXBN-HKRPGZNJSA-N 354.837 5.545 5 40 FKBB CCOc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC[C@@H]3C)cc1 4653543 WBZILFDMNBFWBW-KRWDZBQOSA-N 367.492 6.894 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1cccc(Cl)c1 8040523 WWEJQNKDFIAEES-UHFFFAOYSA-N 363.804 5.313 5 40 FKBB CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 409118981 RNLZYUCWJTUBFK-UHFFFAOYSA-N 362.429 5.348 5 40 FKBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 408605812 GUAOYVJDTBOLIZ-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C 107861916 NVOCQAJSTHCLTO-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB C[N+]1(CCCCCCCC[N+]2(C)CCCCCCC2)CCCCCCC1 6519751 HCAJJNWLSZYNCI-UHFFFAOYSA-N 366.678 6.148 5 40 FKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccc(C)cc4)c3cc12 4540369 JYFVEMLMSWTVKG-UHFFFAOYSA-N 370.404 5.985 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1ccccc1 7684641 FESAFGWLPZOAJZ-UHFFFAOYSA-N 364.426 5.139 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1 946890 SHJIAJPVHHRCMI-QGZVFWFLSA-N 362.454 5.613 5 40 FKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1 946889 SHJIAJPVHHRCMI-KRWDZBQOSA-N 362.454 5.613 5 40 FKBB O=C1OC(c2ccccc2F)=N/C1=C/c1c2ccccc2cc2ccccc12 2771627 YBCNZRWYXGWKNY-HYARGMPZSA-N 367.379 5.477 5 40 FKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)cc1 4257802 USUFDKCOTRMHQA-OAQYLSRUSA-N 361.376 5.090 5 40 FKBB CC(C)c1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 5415882 JDPNGQBQOVETGN-LFYBBSHMSA-N 350.443 6.012 5 40 FKBB O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3cc(Cl)ccc23)cc1 5594110 ITVFUNZOVAQBNJ-UHFFFAOYSA-N 366.829 6.101 5 40 FKBB O=[N+]([O-])c1ccc(/C=C/c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1 3177670 QEPVSYKEDYNJID-VOTSOKGWSA-N 368.392 6.087 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H](c1ccccc1)c1ccccn1 12606523 WZELFJZLFUVTSW-GOSISDBHSA-N 373.334 5.210 5 40 FKBB Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408619503 ITKHTWDQBUJUQW-UHFFFAOYSA-N 374.755 5.208 5 40 FKBB O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(C2CCCCC2)cc1 6884695 HXMQNZJTQRGNHY-UHFFFAOYSA-N 371.458 5.340 5 40 FKBB Cc1c(C(=O)N2c3ccccc3Sc3ccccc32)cccc1[N+](=O)[O-] 1085433 XGZUSYYQWMJAQD-UHFFFAOYSA-N 362.410 5.346 5 40 FKBB aggregator O=[N+]([O-])c1cccnc1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 18247503 FZKZZLSLCWCJPU-UHFFFAOYSA-N 364.188 5.169 5 40 FKBB CC[C@H]([C@@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] 1640936 FYMLWUOEFLJYOV-CVEARBPZSA-N 358.652 5.834 5 40 FKBB Cc1ccc2cc3c(nc2c1)sc1c(SCc2cccnc2)ncnc13 1327791 TWAGXZUTEDSDST-UHFFFAOYSA-N 374.494 5.388 5 40 FKBB CCCN(CCC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 4522806 IRPGILDYJDFHOF-UHFFFAOYSA-N 368.546 5.257 5 40 FKBB Nc1cc(N)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1C=Cc1ccccc1 2049238485 DEBLDHNXANPLEN-AOGCGKDYSA-N 357.413 5.100 5 40 FKBB O=C1O/C(=C(\Cl)c2c3ccccc3cc3ccccc23)c2ccccc21 6576404 ATVGZQGJWVXZJF-DQRAZIAOSA-N 356.808 6.228 5 40 FKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3ccccc3c2)o1 861638 BGLGFMFKLIAYOM-UHFFFAOYSA-N 372.380 5.569 5 40 FKBB CC[N+](C)(CCCCC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 1779326 DUTWIOAGRGMUTI-UHFFFAOYSA-N 360.586 5.446 5 40 FKBB Cc1noc(/C=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-] 33336812 WVQJUDOJTOCZKZ-DAXSKMNVSA-N 365.172 5.628 5 40 FKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 223377278 USXUJSXWDZXGRD-KPKJPENVSA-N 358.353 5.146 5 40 FKBB Cc1cc(C)cc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])c1 868204 REBZBRLKKIRDDJ-UHFFFAOYSA-N 371.396 5.614 5 40 FKBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(Cl)c(Cl)c3)nc2c1 840019 PUIOCFWMJBXXQZ-UHFFFAOYSA-N 354.218 5.070 5 40 FKBB CCCCc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 6650814 ZTNVXJBKPDRZIY-AWEZNQCLSA-N 358.463 5.057 5 40 FKBB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 30873006 ZMNPFLIQZIEJQE-INIZCTEOSA-N 364.854 5.066 5 40 FKBB CCN(C(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1)c1ccccc1 32714741 UITKROOXKLEXDV-UHFFFAOYSA-N 358.463 5.010 5 40 FKBB O=C(Nc1ccc(Cl)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408722725 WNWNWHAPEKGENB-UHFFFAOYSA-N 372.815 5.170 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(Br)cc3)nc2c1 5785837 GQOVZBXSVSADIX-FPYGCLRLSA-N 361.220 5.137 5 40 FKBB CC(C)OP(=O)(OC(C)C)/C(Cl)=C/Nc1ccccc1[N+](=O)[O-] 18276760 AOZWWPUDRKIILY-NTEUORMPSA-N 362.750 5.088 5 40 FKBB Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408906854 JFVCWEQFZMBOGI-RCCKNPSSSA-N 358.397 5.083 5 40 FKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1ccc(F)c(Cl)c1 8232186 XSDBYROTVZONNB-UHFFFAOYSA-N 369.101 5.803 5 40 FKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 409193142 CLBOWZBBQNMEOV-UHFFFAOYSA-N 362.410 5.451 5 40 FKBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)cc1C(F)(F)F 35084432 SJFBKBGZOPROTQ-UHFFFAOYSA-N 362.101 5.168 5 40 FKBB C[C@@H](c1ccccc1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1734603 OSNVKWYSQZCZLN-KKSFZXQISA-N 361.397 5.297 5 40 FKBB CC(=O)Nc1c(Cl)c(Cl)c2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2 1596416 BPZCCCGPFKJCPV-UHFFFAOYSA-N 371.607 5.085 5 40 FKBB Cc1c(C(=O)Nc2ccccc2Sc2ccccc2)cccc1[N+](=O)[O-] 6455953 LPCUOUAGPMDHPN-UHFFFAOYSA-N 364.426 5.307 5 40 FKBB COc1ccc(-c2ccc(-c3nc4c(C)cc(C)cc4[nH]3)o2)c([N+](=O)[O-])c1 85345476 XZSQRIFNWLPAEG-UHFFFAOYSA-N 363.373 5.024 5 40 FKBB CC[N+]1(CCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCCC1 5002818 PHETYKFVPUVCOX-UHFFFAOYSA-N 368.585 5.554 5 40 FKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 72228617 ZTOOZSUKUSAMAJ-UHFFFAOYSA-N 353.205 5.025 5 40 FKBB O[C@@H](c1cc(-c2ccccc2)nc2c1ccc1ccccc12)[C@@H]1CCCCN1 1729662 QEFWYSWSVVMRHO-DHLKQENFSA-N 368.480 5.231 5 40 FKBB in-vitro Cc1ccc(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c(O)c1 100673411 MIUNKDIHQWOHBH-UHFFFAOYSA-N 371.396 5.254 5 40 FKBB COc1ccc(-c2ccc(-c3nc4c(C)cc(C)cc4[nH]3)o2)cc1[N+](=O)[O-] 85345531 ZTSUZBSLHMTJOJ-UHFFFAOYSA-N 363.373 5.024 5 40 FKBB Cc1cccc(N[C@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]c3ccccc23)n1 13060085 VUBRMXZSLXJVJX-JOCHJYFZSA-N 372.428 5.289 5 40 FKBB CCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 2377041 SQQLGIQLXMXSDQ-UHFFFAOYSA-N 367.452 5.493 5 40 FKBB c1ccc2c(c1)cc1c3ccccc3c3cc4ccccc4c4ccc2c1c43 70667148 LMNAZSSKDBUVFA-UHFFFAOYSA-N 352.436 8.044 5 40 FKBB in-vitro O=C(Nc1ccccc1Cc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 3279038 NBTBXXLECZMJDO-UHFFFAOYSA-N 366.804 5.091 5 40 FKBB CC(C)(C)c1nc2nc(-c3ccccc3)cc3c4ccccc4oc(n1)c23 36633740 FNYIIVPHCGUBGS-UHFFFAOYSA-N 353.425 5.889 5 40 FKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(Cl)ccc1Cl 72228616 CEHGVQHBTWWRLA-UHFFFAOYSA-N 353.205 5.025 5 40 FKBB Nc1cc(N)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 3844629 DEBLDHNXANPLEN-PHEQNACWSA-N 357.413 5.100 5 40 FKBB CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](C[N+]3(C)CCCCC3)O2)[C@H](C)C1 4025064 FSCUZZBYWCMCOK-CWKRKGSWSA-N 362.578 5.077 5 40 FKBB CC(C)(C)[C@H]1CCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2C1 6950504 PODCKZAYPHZTGE-INIZCTEOSA-N 360.457 5.961 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 107903669 HIZCJWGWTWWFOY-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)c(C)c1 5033366 SGIHBPBHAHWHOZ-UHFFFAOYSA-N 350.374 5.032 5 40 FKBB C[C@@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 7062749 SXELEJAWLVOUGH-SNVBAGLBSA-N 361.810 5.152 5 40 FKBB CC(C)(C)c1ccc(C(=O)Nc2ccnc3c2ccc2ccccc23)cc1 40384315 GREYCRGEIVITTG-UHFFFAOYSA-N 354.453 5.938 5 40 FKBB O=c1cc(CN2CC=C(c3ccccc3)CC2)c2c(ccc3ccccc32)o1 58160520 YNWHSVCAXPJBFT-UHFFFAOYSA-N 367.448 5.236 5 40 FKBB aggregator O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Cl)cc1)N2 409000459 YVTMTKFXHAOUTO-NFKIQKPMSA-N 354.837 5.545 5 40 FKBB O[C@@](Cc1ccccc1)(c1ccccc1)c1cc2ccccc2c2ccccc12 2077570 BIKZAKATZRFYBQ-NDEPHWFRSA-N 374.483 6.472 5 40 FKBB Cc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2)cc1 5416997 ITXHYZHXROTEJK-UHFFFAOYSA-N 364.357 5.579 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3cc(Cl)ccc3[nH]2)o1 85345496 JPHBVDNRJQYMNC-UHFFFAOYSA-N 353.765 5.360 5 40 FKBB COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)c1 408994787 JDERVXPCVJZKFN-MZYLBHOOSA-N 372.424 5.074 5 40 FKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12 408572198 QUIGWYVIOCQVHF-QFIPXVFZSA-N 372.424 5.156 5 40 FKBB O=[N+]([O-])C[C@@H](c1ccc(F)cc1)c1c(-c2ccccc2)cc2ccccn12 3207790 VEBNQYMVTKOJIS-NRFANRHFSA-N 360.388 5.154 5 40 FKBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Cl 72229444 JTHUJDPVMGAHFE-UHFFFAOYSA-N 359.596 5.116 5 40 FKBB C[C@H](c1ccc(Br)cc1)[N@+]1(C)SC(=S)C2=C1CCCC2 254441536 QTAXHJNAQOPSCS-ZMZPIMSZSA-N 369.373 5.774 5 40 FKBB CCCCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1 254701123 IJASLMAYUNTSIK-UHFFFAOYSA-N 353.447 5.157 5 40 FKBB CCOc1cc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] 521219277 FOVQBHZSDNJRFM-UHFFFAOYSA-N 361.703 5.458 5 40 FKBB O=[N+]([O-])c1ccccc1/C=C/[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12556063 DLQGISXKTQZHIR-QZMUEMGWSA-N 368.396 5.249 5 40 FKBB CC[N+](C)(C)CCCCCCC[N+](C)(CC)Cc1cc2ccccc2o1 1832958 MFAMZDZNRDRJJE-UHFFFAOYSA-N 360.586 5.446 5 40 FKBB Cc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2)cc1 6487807 GKJVRCJXSQBFOV-JOCHJYFZSA-N 374.465 6.261 5 40 FKBB Nc1cc(N)c(/C=C\c2ccccc2)c([N+](=O)[O-])c1/C=C\c1ccccc1 13403061 DEBLDHNXANPLEN-XSYHWHKQSA-N 357.413 5.100 5 40 FKBB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 225334207 AHKFZLRWSXFXON-UHFFFAOYSA-N 373.623 5.126 5 40 FKBB Cc1cc(Cl)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 840944 QVWMRCKSXAMIFU-UHFFFAOYSA-N 358.825 5.007 5 40 FKBB CC(C)(C)c1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1 5445416 JWAQSUDOOOSCDC-UHFFFAOYSA-N 355.441 5.333 5 40 FKBB O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)ccc1Cl 89262433 HLFKDSGHQMRBEF-UHFFFAOYSA-N 370.579 5.272 5 40 FKBB Cc1cc2c3nc4ccccc4sc-3c(-c3ccccc3)c(=O)c2cc1C 67300065 DTCHXTXDJHFLHP-UHFFFAOYSA-N 367.473 6.198 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 1714408 XRQIISCOFYUANL-PHEQNACWSA-N 372.380 5.844 5 40 FKBB COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1 408994788 JDERVXPCVJZKFN-PMVMPFDFSA-N 372.424 5.074 5 40 FKBB O=Cc1cc2ccccc2c[n+]1-c1ccc2ccc3cccc4ccc1c2c34 1682963 HIGKXVDNVCWCTJ-UHFFFAOYSA-N 358.420 5.826 5 40 FKBB CC(C)(C)Sc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 3106301 AQKVMOFJZXMANR-UHFFFAOYSA-N 370.477 5.606 5 40 FKBB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)c([N+](=O)[O-])c2)c1 199716140 QPRWMFBMCHJOQY-UHFFFAOYSA-N 363.801 5.025 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 797400 ISMAHSHZUZLXDL-UHFFFAOYSA-N 369.380 5.511 5 40 FKBB Cc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6861134 OGYSYQMTBHEJSP-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 3551862 LXYVRRCJQBSSEZ-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB CC(C)(C)[C@@H]1CCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2C1 6950486 PODCKZAYPHZTGE-MRXNPFEDSA-N 360.457 5.961 5 40 FKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(OC)c1 706913 UESPVDGZADQJSP-UHFFFAOYSA-N 372.424 5.317 5 40 FKBB COc1ccc2nc(SC)c3sc4ccc5ccccc5c4c3c2c1 2125204 RSLFCIZJAIALML-UHFFFAOYSA-N 361.491 6.486 5 40 FKBB O=[N+]([O-])c1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1Cl 5519869 WAEMDBMRSHZUJE-UXBLZVDNSA-N 366.829 6.182 5 40 FKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 3554062 FSDIFKFKTBREKP-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB COC(=O)c1cc2c(SC3CCCCC3)cc([N+](=O)[O-])cc2s1 2760735 CEQXTHJBZUNVDI-UHFFFAOYSA-N 351.449 5.021 5 40 FKBB CC(C)(C)CC(C)(C)NC(=O)Nc1cc2ccncc2c2ncccc12 104374195 DZNHPIVYTWTHGV-UHFFFAOYSA-N 350.466 5.119 5 40 FKBB Cc1cc(C)c2oc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 226294823 ZEWVAKULYLQXRO-UHFFFAOYSA-N 374.396 5.599 5 40 FKBB Nc1ccc(Cl)c(C(=O)OCc2c3ccccc3cc3ccccc23)c1 226331716 UCMDUTYQGQIYEJ-UHFFFAOYSA-N 361.828 5.586 5 40 FKBB O=c1c(-c2ccc(Cl)cc2)c2sc3ccccc3nc-2c2ccccc12 408733233 GVLPSWGBLNAHEA-UHFFFAOYSA-N 373.864 6.235 5 40 FKBB CC/C(=C(/CC)c1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OC)cc1 1571056 BYJWKDLOMIBQHJ-WCWDXBQESA-N 368.541 5.511 5 40 FKBB CCOc1ccc2nc(S/C=C(\c3ccccc3)[N+](=O)[O-])sc2c1 2194289 PQUNHMQLFOUYFP-RVDMUPIBSA-N 358.444 5.062 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1 3408920 RROAKDLHHHISFM-UHFFFAOYSA-N 360.413 5.064 5 40 FKBB CC/C(=C(\CC)c1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OC)cc1 1571055 BYJWKDLOMIBQHJ-VHXPQNKSSA-N 368.541 5.511 5 40 FKBB c1ccc2c(-c3c4ccccc4cc4c3ccc3ccccc34)cccc2c1 1656987 RSAXKSGXULDTCJ-UHFFFAOYSA-N 354.452 7.966 5 40 FKBB Cc1c(CC=C(c2ccccc2)c2ccccc2)cccc1C[N+](C)(C)C 1662374 LALOESYBDVBJAI-UHFFFAOYSA-N 356.533 5.876 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 1064228 VOPQXETUBYOWAO-UHFFFAOYSA-N 370.408 5.083 5 40 FKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1cc(Cl)c(Cl)cc1Cl 3065545 LFTQDQJNZDKGTB-UHFFFAOYSA-N 352.988 6.001 5 40 FKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 408613573 YERVAGSGTARYDW-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1cc(C)cc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1 2121848 VMVJTRVBKAJZSS-UHFFFAOYSA-N 371.436 5.228 5 40 FKBB biogenic Cc1cccc(C)c1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408905878 AMPYZBNJNGPILB-RCCKNPSSSA-N 372.424 5.391 5 40 FKBB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 6832519 YBSHGLXJZULXEV-NSHDSACASA-N 371.418 5.077 5 40 FKBB CCc1ccc2oc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 226294791 LPRPVIPMRGLHGZ-UHFFFAOYSA-N 374.396 5.544 5 40 FKBB COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1 5454081 ZDAATXNUKYSETQ-UHFFFAOYSA-N 371.396 5.328 5 40 FKBB CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409120496 WIYIBSZERQRNRO-UHFFFAOYSA-N 362.429 5.348 5 40 FKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 4902477 BMQDFVOTPUDKNJ-UHFFFAOYSA-N 367.213 5.369 5 40 FKBB Cc1cc(OCc2ccccc2Cl)cc2oc(=O)c3ccccc3c12 651397 SRBKLRCJHJOPHU-UHFFFAOYSA-N 350.801 5.487 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 409191018 YOCKJKGLZXCQBG-OAUYIBNBSA-N 365.216 5.146 5 40 FKBB O[C@H](c1cc(-c2ccccc2)nc2c1ccc1ccccc12)[C@H]1CCCCN1 1729661 QEFWYSWSVVMRHO-RCZVLFRGSA-N 368.480 5.231 5 40 FKBB in-vitro Cc1ccc([C@H](C)Nc2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 15833961 LKDFIIYNRUHGPC-AWEZNQCLSA-N 366.421 5.250 5 40 FKBB C[C@@H](C[C@@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1)CC(C)(C)C 4812368 ORHCJMDTXKANRH-ACIOBRDBSA-N 374.589 5.391 5 40 FKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21 847506 QVZBSQKIANXBST-LFIBNONCSA-N 370.408 5.072 5 40 FKBB Cc1noc(/C=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1[N+](=O)[O-] 33659875 CIZIYUYKTISJQV-OUKQBFOZSA-N 373.412 5.373 5 40 FKBB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 30872999 ZMNPFLIQZIEJQE-MRXNPFEDSA-N 364.854 5.066 5 40 FKBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 408613580 YKFMDPSBWHBREZ-UHFFFAOYSA-N 368.820 5.439 5 40 FKBB Cc1cc(C)c(C)c(COc2ccc3c(c2)oc(=O)c2ccccc23)c1C 5548308 GICCVIUZNDNOKQ-UHFFFAOYSA-N 358.437 5.759 5 40 FKBB O=c1cc(CN[C@@H]2CCCc3ccccc32)c2c(ccc3ccccc32)o1 8520431 WBEWKOMNXLKCJX-OAQYLSRUSA-N 355.437 5.113 5 40 FKBB CCCCCn1c2ccc(Br)cc2c2nc3ccccc3nc21 1836178 PINUUURGIJTLDI-UHFFFAOYSA-N 368.278 5.690 5 40 FKBB Cc1ccccc1OCCCn1c2ccccc2c2nc3ccccc3nc21 2667999 WSMOFSVJAMBPEQ-UHFFFAOYSA-N 367.452 5.515 5 40 FKBB O=c1oc2c(ccc3c(OCc4ccc(F)cc4)cccc32)c2c1CCCC2 4158842 FVFINZWDMCKAEW-UHFFFAOYSA-N 374.411 5.543 5 40 FKBB CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2Cl)c1 4965730 OASWPANLGWNDJZ-UHFFFAOYSA-N 350.827 5.003 5 40 FKBB O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)Oc1ccc(Cl)cc1Cl 33373969 KWBJNIPJXOSWBD-BHQIHCQQSA-N 372.591 5.174 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(F)cc1)N2 408992802 CCPOPUAGVRGCOX-HJNYFJLDSA-N 360.388 5.205 5 40 FKBB Cc1cccc(-c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C)c2)c1 4199274 BIOXZBIOHQXZQG-UHFFFAOYSA-N 361.397 5.406 5 40 FKBB Cc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4ccccc4c23)cc1 9239135 OXEAPCZWXACCQK-UHFFFAOYSA-N 361.444 6.736 5 40 FKBB O=[N+]([O-])c1ccc(/C=C2/c3ccccc3-c3nc4ccccc4cc32)cc1 16973281 GAMAUTIHOUXJSM-MOSHPQCFSA-N 350.377 5.712 5 40 FKBB O=C(Nc1ccc2ccccc2c1)Nc1cc2ncccc2c2cccnc12 408973803 BURWMMUVBIUHLT-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB Cc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 6860380 UBPAQCVNHZOPGA-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN([C@H](C)c1ccccc1)CO2 20610159 BAQFFNNJFXCQSP-MRXNPFEDSA-N 371.436 5.168 5 40 FKBB biogenic Cc1ccc(Cn2cc(/C=C/c3onc(C)c3[N+](=O)[O-])c3ccccc32)cc1 408543610 PHELUQFTQLPDMT-VAWYXSNFSA-N 373.412 5.373 5 40 FKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 3958597 ISHVQGHMTAOQQV-UHFFFAOYSA-N 352.777 5.168 5 40 FKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nnc(-c2ccco2)o1 5034202 DHFRAALFDNCASI-UHFFFAOYSA-N 371.736 5.127 5 40 FKBB O=[N+]([O-])c1ccccc1Oc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 2028861 MEAXRHQMSIYETK-UHFFFAOYSA-N 352.302 5.088 5 40 FKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)c1 21017226 LPAGTAPJAYFMIZ-UHFFFAOYSA-N 366.380 5.149 5 40 FKBB Cc1noc(/C=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1[N+](=O)[O-] 33653400 MBOKQNLWRFNPKD-YFHOEESVSA-N 370.792 5.294 5 40 FKBB Oc1ccc2c(c1)oc1c(-c3ccccc3)c3c4c(sc3nc12)CCCC4 7778772 JGTVQSIUUZULIM-UHFFFAOYSA-N 371.461 6.447 5 40 FKBB c1ccc2cc3c(cc2c1)cc1c2ccccc2c2cccc4ccc3c1c42 1562135 YEVOPXRNZORJGM-UHFFFAOYSA-N 352.436 8.044 5 40 FKBB C(=C\c1ccco1)\c1ccc2cc3ccc(/C=C/c4ccco4)nc3cc2n1 3845045 NYOUGZJXSQNNDR-DSOJMZEYSA-N 364.404 6.310 5 40 FKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1)N2 409000454 YVTMTKFXHAOUTO-MELFWRNSSA-N 354.837 5.545 5 40 FKBB Cc1cccc(C2=N/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)c1 3195538 QMHJZDCILPUMFN-HZHRSRAPSA-N 363.416 5.646 5 40 FKBB CCC1=C[C@@](C)(CC)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc21 4123333 KIXMUZYREIHYRZ-JOCHJYFZSA-N 350.462 5.886 5 40 FKBB O=[N+]([O-])c1ccc2sc(/C=C/c3cccc(Cl)c3Cl)nc2c1 5935807 CUACWQZNJQOUEP-QPJJXVBHSA-N 351.214 5.682 5 40 FKBB Cc1noc(/C=C\c2ccccc2OCc2ccccc2Cl)c1[N+](=O)[O-] 408545513 ZJWWCWOFPGNSCY-KHPPLWFESA-N 370.792 5.294 5 40 FKBB O=C(Oc1ccc(Sc2ccccc2[N+](=O)[O-])c2ccccc12)C1CC1 3198343 SGUSRCSLQKACDW-UHFFFAOYSA-N 365.410 5.215 5 40 FKBB Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6860762 USLHJGDQEKAPQJ-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB Cc1ccc(C)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)c1 409002150 YITUNBWXUUIUPB-JRFVFWCSSA-N 370.452 5.683 5 40 FKBB O=[N+]([O-])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1 1406380 GKFBKVDSUJXGSN-UHFFFAOYSA-N 362.994 5.456 5 40 FKBB Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 4159915 BYVMQPIWSCYXIH-QFIPXVFZSA-N 374.465 6.261 5 40 FKBB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 19162841 UFCDSZWDKGFGGF-UHFFFAOYSA-N 366.804 5.096 5 40 FKBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(Cl)ccc4o3)nc12 57352716 FHISIJLMSJGXGC-UHFFFAOYSA-N 360.782 5.051 5 40 FKBB CCc1ccccc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409129551 HBIZFWQIKHWLBN-UHFFFAOYSA-N 362.429 5.348 5 40 FKBB Brc1ccc(-c2nc3ccccc3c3nc4ccccc4n23)cc1 1471185 UJVOBAOYBMRCJP-UHFFFAOYSA-N 374.241 5.465 5 40 FKBB CCCCOC[N+](C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3095061 YUKOXIKLYMRDAH-UHFFFAOYSA-O 350.567 5.338 5 40 FKBB CCCCn1c2ccccc2c2nc3cc(OCC)c(OCC)cc3nc21 2690592 PVDOYTSTPNVHGH-UHFFFAOYSA-N 363.461 5.335 5 40 FKBB CCCCN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 4046857 TWSGBFAOSUKOKN-IBGZPJMESA-N 373.456 5.256 5 40 FKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 6825516 HBMDVHGGBIYEJO-UHFFFAOYSA-N 373.718 5.219 5 40 FKBB C[n+]1c(-c2cccc3ccccc23)c2cc([N+](=O)[O-])ccc2c2ccccc21 1743160 GGXUENXWGBWBSG-UHFFFAOYSA-N 365.412 5.546 5 40 FKBB O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 6122863 KRJDZFSBGQFVAH-UHFFFAOYSA-N 367.788 5.195 5 40 FKBB Cc1ccc(-c2csc(Sc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 15553932 QZCDSORHYGYPEK-UHFFFAOYSA-N 362.863 5.831 5 40 FKBB O=[N+]([O-])c1ccc(Sc2nc3cc(Cl)ccc3o2)c2ncccc12 5899335 KPFVUCLMDJDURE-UHFFFAOYSA-N 357.778 5.089 5 40 FKBB O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 1045089 HCOVSUWQMKZWAW-OAQYLSRUSA-N 360.438 5.953 5 40 FKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 5350142 CZSPUNYPXWRMQP-UHFFFAOYSA-N 371.871 6.056 5 40 FKBB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 5903592 GXUYHVVFFONOQR-IZZDOVSWSA-N 358.825 5.198 5 40 FKBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 6845445 HVQFCGCDYIBHDA-UHFFFAOYSA-N 356.765 5.069 5 40 FKBB CC(C)=CCCC1=CC[C@H]([C@H]2OC[C@@H](C[N+]3(C)CCCCC3)O2)[C@@H](C)C1 100741575 FSCUZZBYWCMCOK-MALNDZBISA-N 362.578 5.077 5 40 FKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 3898211 OBTVXLHNHSEYDK-NRFANRHFSA-N 361.376 5.090 5 40 FKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccccc3)c12 5017177 WSFBUFPUCGXQAH-UHFFFAOYSA-N 367.452 5.515 5 40 FKBB Cc1cc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cs1 4843993 WVQOTULKTOYPII-HXUWFJFHSA-N 363.442 5.320 5 40 FKBB Cc1cc(NC(=O)c2ccc(COC(C)C)o2)c2ccc3ccccc3c2n1 40384512 ZQAAOIRJDQSLFP-UHFFFAOYSA-N 374.440 5.467 5 40 FKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=Nc3ccccc3S2)c1 1045085 XXYPDVRSHFSOFF-OAQYLSRUSA-N 360.438 5.953 5 40 FKBB CCCCN(CCCC)CCC(=O)c1ccc2c(ccc3ccccc32)c1 1682022 XPLILSRCNDJUDH-UHFFFAOYSA-N 361.529 6.468 5 40 FKBB [O-][n+]1c(-c2ccc(Cl)cc2)n(O)c2c3ccccc3c3ccccc3c21 6243944 AMEXGRVEOQHWPH-UHFFFAOYSA-N 360.800 5.139 5 40 FKBB C[C@@H](c1ccc(Br)cc1)[N@@+]1(C)SC(=S)C2=C1CCCC2 254441530 QTAXHJNAQOPSCS-BBATYDOGSA-N 369.373 5.774 5 40 FKBB O=[N+]([O-])c1ccccc1/C=C/[C@H]1Nc2ccccc2-c2nc3ccccc3n21 32699318 DLQGISXKTQZHIR-ARKBFRDHSA-N 368.396 5.249 5 40 FKBB Cc1ccc(C)c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 5744880 OFLBXGGUTALUJB-ZRDIBKRKSA-N 362.385 5.124 5 40 FKBB CN1/C(=C/[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)C(C)(C)c2ccccc21 723812 BOWPXTOSMCABJA-UZUMKDMXSA-N 356.853 5.012 5 40 FKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 2351285 CMQQTFZYXLPAQA-VQTJNVASSA-N 366.804 5.479 5 40 FKBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(Cl)cc3Cl)nc2c1 16431423 XKQKAKNMABROLW-UHFFFAOYSA-N 354.218 5.070 5 40 FKBB Cc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C 7941950 DBMROZIJGXLSFX-UHFFFAOYSA-N 370.792 5.377 5 40 FKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(Cl)c(-c3ccc(Cl)cc3)sc2c1 15085491 AURVCAJICAGHPI-UHFFFAOYSA-N 369.185 5.692 5 40 FKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2sc3ccccc3c2s1 3185463 GXQQBWGAOCATMW-UHFFFAOYSA-N 368.439 5.585 5 40 FKBB CC(C)(C)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 6305176 USPZVOZXKOIISY-UHFFFAOYSA-N 369.461 5.547 5 40 FKBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 6340070 XXQGLTPDQIBXMJ-UHFFFAOYSA-N 368.776 5.293 5 40 FKBB CCOc1ccc(-c2cc(C)c3c(ccc4ccccc43)n2)cc1OCC 1425324 ACFMFINIZFDHMO-UHFFFAOYSA-N 357.453 6.161 5 40 FKBB O=c1c(-c2ccccc2)c2c3cccc4cccc(c-2c1-c1ccccc1)c43 1691969 QQGHPFDLUNMBGJ-UHFFFAOYSA-N 356.424 6.668 5 40 FKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408996576 QDAPTPQHLSFPEP-YTQSOXLISA-N 362.473 6.015 5 40 FKBB O=c1c2ccccc2c2ccccc2n1C(c1ccccc1)c1ccccc1 5410854 JURRDWHWOJOPGX-UHFFFAOYSA-N 361.444 5.792 5 40 FKBB O=c1cc(CN[C@H]2CCCc3ccccc32)c2c(ccc3ccccc32)o1 8520435 WBEWKOMNXLKCJX-NRFANRHFSA-N 355.437 5.113 5 40 FKBB O=C(Nc1ccc2oc3ccccc3c2c1)c1cc([N+](=O)[O-])ccc1Cl 14906435 JMAFAMHAJXLKLW-UHFFFAOYSA-N 366.760 5.400 5 40 FKBB CCCCN(CCCC)C[C@H](O)Cc1cc2ccccc2c2ccccc12 2022444 VYNRNGBJGPLAGA-JOCHJYFZSA-N 363.545 5.799 5 40 FKBB O=C(Nc1cccc2ccccc12)Nc1cc2cccnc2c2cccnc12 408974617 FODXHTSIMMLVEI-UHFFFAOYSA-N 364.408 5.580 5 40 FKBB O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1ccc2ccccc2c1 59474345 CDWOQUFQPRFAJO-UHFFFAOYSA-N 364.400 5.525 5 40 FKBB CCC[N+]1(CCCC[C@@](O)(c2ccccc2)C2(C)CCCC2)CCCCC1 96194505 CGEXJELKKOJEHO-RUZDIDTESA-N 372.617 6.036 5 40 FKBB