smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc([N+](=O)[O-])o1 1746128 SFEBZLNGKKMQDZ-UHFFFAOYSA-N 425.491 5.657 5 40 IKBB CCCCOC(=O)c1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 2118293 XAAIMWJCRGIDHT-UHFFFAOYSA-N 443.499 5.568 5 40 IKBB biogenic Cc1cccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 409111025 ZZVWUCXCBVFBBA-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB O=C(Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 4017315 HUAYYGAQHNQXQV-UHFFFAOYSA-N 447.450 6.091 5 40 IKBB Cc1noc(C)c1CSCC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 8826297 XPUOQEVZCKRVBN-UHFFFAOYSA-N 430.533 5.426 5 40 IKBB CCCCC(=O)Oc1cn(C2CCCCC2)c2nc(CCCC)n3c4ccccc4nc3c12 9124588 GSAGJQURPDWPHA-UHFFFAOYSA-N 446.595 6.781 5 40 IKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 12624360 WVQIJMROMQBZSW-UHFFFAOYSA-N 434.835 5.350 5 40 IKBB CCOc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(CC)cc23)cc1 20183617 CYJALYJDJOBYDT-UHFFFAOYSA-N 438.487 6.110 5 40 IKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2nc(C(C)(C)C)cs2)cc1 32745475 LGYUAMJHDLNZKL-UHFFFAOYSA-N 441.509 5.042 5 40 IKBB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409177603 AVVLLACISNEYJC-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)cc1 1413646 KNEKEMFAFJQLEY-UHFFFAOYSA-N 446.410 5.598 5 40 IKBB Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CC[C@@H](C)C4)c([N+](=O)[O-])n1 8825337 KYGZNEBTZHZKPS-GFCCVEGCSA-N 433.493 5.282 5 40 IKBB CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 8837040 JZJOSITYYOFAHZ-AOYPEHQESA-N 443.503 6.016 5 40 IKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)CC2)cc1 9008903 JEMRYPJHPWTMQK-UHFFFAOYSA-N 445.910 5.185 5 40 IKBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1C 9280115 PYGVYNWIYJXWNO-LCUIJRPUSA-N 429.432 5.143 5 40 IKBB Cc1cc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)n(C)n1 13643872 DTWUVINEEBRRLN-UHFFFAOYSA-N 447.474 5.201 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463614 MVJOVWQXDDZMCX-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB Oc1ccc2c(c1)oc1c(-c3cccc4cccnc34)c3c(O)nn(C4CCCC4)c3nc12 95472913 FXDOMQAWYFQEKT-UHFFFAOYSA-N 436.471 6.072 5 40 IKBB CC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 218873185 VSUTYGBQUUEZIV-UHFFFAOYSA-N 427.682 5.152 5 40 IKBB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[C@@]2(C)c1ccccc1 1808697 ITAMNBZFPSMRLS-UXNRMSELSA-N 440.543 6.438 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(O)c1 8820716 WYABRPNGTOUKLT-ZDLGFXPLSA-N 442.836 5.455 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225026822 DPAKPFCXNRDXFQ-VXKWHMMOSA-N 434.521 5.165 5 40 IKBB Cc1ccc(Cl)cc1NCc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409115057 GTDHGQWKVVOMNR-UHFFFAOYSA-N 436.817 6.980 5 40 IKBB CCCC(=O)Oc1cn(-c2cccc(OC)c2)c2nc(CCC)n3c4ccccc4nc3c12 9243513 RLEGGBVQWOKGMO-UHFFFAOYSA-N 442.519 5.493 5 40 IKBB CC(C)c1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 9425478 ICDIFLFXGBMDKP-UHFFFAOYSA-N 426.472 6.290 5 40 IKBB O=C(Nc1nc2ccccc2s1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 12680812 GMDJYXHFQCXEIN-UHFFFAOYSA-N 425.466 5.747 5 40 IKBB Cc1cc(OCc2ccc(C(=O)NC3CCCCCCCCCCC3)o2)ccc1[N+](=O)[O-] 13960312 BFEWUHCLAQCNSE-UHFFFAOYSA-N 442.556 6.478 5 40 IKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1c(Cl)cccc1Cl 409026229 JKKNNIHWAFECNH-UHFFFAOYSA-N 445.393 5.184 5 40 IKBB C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)NC(c1ccccc1)c1ccccc1 1821259 GBFOYRRCVQZSIC-HNNXBMFYSA-N 449.557 5.591 5 40 IKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)c1 2302801 KILZGUFUHXJNOP-UHFFFAOYSA-N 445.526 5.143 5 40 IKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 8836805 YXPGLIOCCYNRSG-ZDUSSCGKSA-N 448.324 5.017 5 40 IKBB Cc1[nH]nc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccc(Cl)cc1 9128683 XVTNNBVSHMPJPQ-UHFFFAOYSA-N 435.867 5.898 5 40 IKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 59417219 SOMOGQMJFKOBOS-UHFFFAOYSA-N 436.773 6.312 5 40 IKBB C[S@@](=O)C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 96003637 WYKJILZFMDEBMA-QTEAWJPNSA-N 444.940 5.250 5 40 IKBB CCCC(=O)Oc1cn(-c2cccc(C)c2)c2nc(CCC)n3c4ccccc4nc3c12 9123988 RWAFJICXVGZTGQ-UHFFFAOYSA-N 426.520 5.793 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2[N+](=O)[O-])CC1 59294051 MHKWLGJFACSSRQ-UHFFFAOYSA-N 427.504 5.655 5 40 IKBB O=C(Nc1cccc(C2SCCS2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64897488 MXMSMDPTTMTYHY-UHFFFAOYSA-N 429.548 5.449 5 40 IKBB CCN(CC)c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-] 72229346 PYFMOLODZSSUES-UHFFFAOYSA-N 426.698 5.109 5 40 IKBB Cc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc(Oc3cccc(Cl)c3Cl)c1C(=O)N2 1097645 FVZGHQQHQLZNCR-UHFFFAOYSA-N 431.231 6.360 5 40 IKBB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 9499122 HSEXJZHPDNVDDX-UHFFFAOYSA-N 431.879 6.333 5 40 IKBB O=C(Oc1ccc(F)cc1Br)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 12546803 HRJYBLJFRGZQJA-UHFFFAOYSA-N 445.244 5.328 5 40 IKBB Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)cc1 408617044 BHAIQFLXGXONOM-UHFFFAOYSA-N 433.847 6.840 5 40 IKBB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 826000 MQUZIZPFIMYRKH-XDHUDOTRSA-N 429.476 5.128 5 40 IKBB CC(C)c1ccc([C@H](CC(=O)c2ccccc2)[C@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859437 HVBNGCBBUVVMIM-UKILVPOCSA-N 431.488 5.943 5 40 IKBB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1Cl 9569235 PHVZXVURQFMNOD-UHFFFAOYSA-N 441.896 5.155 5 40 IKBB Cc1cc2c(cc1C)N1[C@H](C(c3ccc(OC(F)F)cc3)=N2)[C@H]1c1ccc([N+](=O)[O-])cc1 16740800 PKCRTIILKUFSJZ-TXUOUNKJSA-N 435.430 5.877 5 40 IKBB C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 96002270 YPNIIVKQXPNZOE-UOOOSFKRSA-N 442.519 5.481 5 40 IKBB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 107781751 GATPESWSIJPKAW-VOTSOKGWSA-N 443.091 5.047 5 40 IKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)C2CCCCC2)c(C(C)(C)C)c1 226070147 CFECDKGNISHJBG-QHCPKHFHSA-N 434.685 5.447 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 861614 HZCNDZCDEMMXLY-LFIBNONCSA-N 437.455 5.652 5 40 IKBB CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 3172224 LSVZGDAECPERIW-UQBPGWFLSA-N 431.492 5.312 5 40 IKBB COc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 19630699 JYCXGLQQGPBDIK-UHFFFAOYSA-N 439.880 5.786 5 40 IKBB COc1cc(/C=C2\Sc3ccccc3NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409102538 BBHTWVYSQKCLKE-UUYOSTAYSA-N 434.473 5.268 5 40 IKBB Cc1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2C(C)(C)C)cc1 2718595 XUDIOZBJLGIJHV-UHFFFAOYSA-N 425.510 5.534 5 40 IKBB CCOc1ccc2nc3sc(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)c(N)c3cc2c1 6134279 SBCUKFLGBLEYBU-UHFFFAOYSA-N 433.449 5.056 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1Cl 9334542 SVDYCOVFVCBYCA-DHZHZOJOSA-N 448.822 5.026 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 19643272 VDVYTHSDPIFYAT-MRXNPFEDSA-N 445.475 5.934 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20145310 UKNPJTUWWVSPEX-SOFGYWHQSA-N 447.230 5.512 5 40 IKBB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])cc1 101998966 XNEVWKGSYJRTPM-RUZDIDTESA-N 447.535 6.433 5 40 IKBB O=C(Nc1nnc(-c2ccccc2)s1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224017181 CAJAHQFZELFMHG-HMMYKYKNSA-N 428.473 5.293 5 40 IKBB O=C1CS[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1c1ccc(Cl)cc1 408557838 QFBUSTMYCBERFT-JOCHJYFZSA-N 440.908 5.606 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 2075716 WVTMXMVSNFADGF-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCCC2 2752438 NBXKHPRRLJSRFS-UHFFFAOYSA-N 436.917 5.398 5 40 IKBB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CSC3)c1C 3008341 SUJVYMKBRKZWSX-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13779003 XCCBACCAKQHQRU-AUSIDOKSSA-N 449.850 5.219 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 17096459 KVWUMBYQIXPSCC-OAHLLOKOSA-N 429.476 6.477 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(C)cc1 224667821 CBUZGNYGYGKIHK-UHFFFAOYSA-N 436.533 6.155 5 40 IKBB Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCc1ccccc1 2207034 UZKMPBAIPKRLDW-UHFFFAOYSA-N 449.941 7.018 5 40 IKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 8871133 HSUQREUSOLWRFO-UHFFFAOYSA-N 437.425 5.021 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(F)c(F)c1 9414225 LQGDAXHUMRGPIG-UHFFFAOYSA-N 437.358 5.124 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3nc4ccccc4s3)o2)c(Br)c1 13140862 WGNFPJCTGDSGMD-JXMROGBWSA-N 427.279 6.397 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 16449416 CTNSYYMZTVKYIP-UHFFFAOYSA-N 428.238 5.507 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@H](CC)C2 17100853 BSKZJKNTXQQHPZ-NSHDSACASA-N 436.917 5.254 5 40 IKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc3ccccc3c2)c1 24522832 AXLWTXBDSSAFAQ-FYWRMAATSA-N 433.467 6.441 5 40 IKBB C[C@@H]1C/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nc3ccccc3c(C(=O)O)c2C1 32642121 DIGOFBAGPRKIJL-PWVLXBNSSA-N 440.455 6.224 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 34688546 LRWCCQPNAJVZOT-UHFFFAOYSA-N 440.333 5.552 5 40 IKBB CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 57316172 QGMSTDOGDXASFL-UHFFFAOYSA-N 439.512 5.040 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCCC2 2744899 QEKWIPXJOZAZPV-UHFFFAOYSA-N 436.917 5.398 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2)cc1 3145078 GMAGAHYCZJTCES-UHFFFAOYSA-N 430.416 5.814 5 40 IKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8923110 NYXMGFHRMWMWJD-HXUWFJFHSA-N 438.509 5.112 5 40 IKBB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509744 DJVYIJCMARRCGM-UHFFFAOYSA-N 443.507 5.291 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccccc3Cl)cc2)c(Cl)c1 16449878 TUNLZFDXEITUMW-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 19639798 LVRRGPBIYRDWAW-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c(C)c1 408695332 PZZRUJFHJNPRRU-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409070734 ZCJLOPBKHOLFJW-FYJGNVAPSA-N 434.473 5.383 5 40 IKBB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1 409117207 LBHWBYWYTNUOCS-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)c1 2250109 GWZKJUDOIDYVSZ-UHFFFAOYSA-N 445.526 5.203 5 40 IKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 13946119 ORPCATVXMYKKOD-UHFFFAOYSA-N 435.871 5.105 5 40 IKBB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 409054316 URFSPISIFUFWOP-UHFFFAOYSA-N 449.463 5.785 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1OC 12757100 JOAMSQPIPKAUHQ-UHFFFAOYSA-N 443.459 5.388 5 40 IKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1c(Cl)cc(Cl)cc1Cl 13138351 BVFNHUPIZIDSKN-UHFFFAOYSA-N 448.740 5.896 5 40 IKBB COc1ccc2cc(-c3c4cnn(C(C)C)c4nc4c3oc3cc(O)ccc34)c(=O)[nH]c2c1 96116202 QLCPXWRVTKUFHU-UHFFFAOYSA-N 440.459 5.134 5 40 IKBB biogenic O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223110780 LOMZHUWXFJCMNE-PKTZIBPZSA-N 447.564 5.086 5 40 IKBB CCc1nnc(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)o1 408632812 SZGWXYGQCRUGJK-GZTJUZNOSA-N 443.506 5.218 5 40 IKBB S=C(Nc1ccccc1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974490 AMZFLAHLIXMTJD-UHFFFAOYSA-N 432.512 5.688 5 40 IKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 783163 MJOMFIHKDQZLKI-UHFFFAOYSA-N 425.466 5.747 5 40 IKBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2058703 UGQXSXDSHMXZQB-CYBMUJFWSA-N 431.275 5.975 5 40 IKBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 8690533 ZORVKOINJWFODK-OAQYLSRUSA-N 435.867 5.248 5 40 IKBB CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 8837039 JZJOSITYYOFAHZ-AZGAKELHSA-N 443.503 6.016 5 40 IKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)cc1C 12484982 KVQCZNXVGJEZLZ-UHFFFAOYSA-N 449.579 6.798 5 40 IKBB O=C(COc1ccc2ccccc2c1Br)Nc1cc([N+](=O)[O-])ccc1Cl 218903779 CSPVZDZCCFXWPC-UHFFFAOYSA-N 435.661 5.181 5 40 IKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 409051891 OCLBFDPLMIBOKS-UHFFFAOYSA-N 425.466 5.838 5 40 IKBB O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568057 KSGCZYIPRONJGM-SZNDQCEHSA-N 442.308 6.884 5 40 IKBB CC1CCN(C(=S)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)CC1 35074047 PTGLSIPKUIPCAW-UHFFFAOYSA-N 449.370 5.344 5 40 IKBB COc1ccc(-c2csc(=Nc3ccccc3)n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 252672735 QKZRRGSYSBVQHQ-QHCPKHFHSA-N 447.516 5.099 5 40 IKBB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 409050946 FCJKMJVUADVLTN-UHFFFAOYSA-N 441.921 6.353 5 40 IKBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCc1ccccc1 2449271 VMVPZZMPHFSINU-UHFFFAOYSA-N 429.523 6.673 5 40 IKBB CN(Cc1ccccc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 3304838 CLXXPSBMTTWLKD-UHFFFAOYSA-N 430.936 5.063 5 40 IKBB CCCCN(CCCC)CCCCCCCC[C@@H](O)c1cc2ccccc2c2ccccc12 8614502 BLMWOWMGDOWPPS-WJOKGBTCSA-N 447.707 8.659 5 40 IKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Cl 17101858 PSCIBDSPBXYOEL-UHFFFAOYSA-N 438.094 5.843 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 9252451 QIDCUBWXWGTHBH-UHFFFAOYSA-N 435.210 6.387 5 40 IKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 9498604 XOTKBVXOGDDZAY-ZDUSSCGKSA-N 444.846 5.469 5 40 IKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 51330325 RUMZSDFKUNSUKI-MXXWSYFGSA-N 445.469 6.674 5 40 IKBB O=[N+]([O-])c1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3)nn21 102670289 ZEGVXBRTAZHSHK-FQEVSTJZSA-N 433.493 5.150 5 40 IKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 113928811 JYBKXSXXVXUSNK-MHZLTWQESA-N 449.510 6.269 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223123530 LYZKQLSAOFDQSB-XZOQPEGZSA-N 448.548 5.555 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2435416 OKSKKDANJJUCLL-UHFFFAOYSA-N 425.536 5.481 5 40 IKBB COc1cc(Nc2nc(SCc3cccc([N+](=O)[O-])c3)nc3ccccc23)cc(OC)c1 2949073 CXWCZABTRMBOQA-UHFFFAOYSA-N 448.504 5.591 5 40 IKBB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc12 9272339 RLVYZMMRFLQSMV-UHFFFAOYSA-N 447.443 5.772 5 40 IKBB biogenic COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1 16228267 AENDJDUMKFSSBC-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313377 KJQMERWZFTYHGJ-UHFFFAOYSA-N 426.237 5.585 5 40 IKBB Cc1c(O)ccc2c1oc1c(-c3ccco3)c3c(O)nn(C4CCCCCCC4)c3nc12 79485894 VKAFYCYMRKAPES-UHFFFAOYSA-N 431.492 6.596 5 40 IKBB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 409196652 QUORWUROAVCDDE-BZZOAKBMSA-N 449.919 5.723 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)cnc32)cc1 8739397 DOSWJHRPLKOFQM-UHFFFAOYSA-N 431.499 5.198 5 40 IKBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CCCC2)ccc1[N+](=O)[O-] 9041072 LGPWOJDIPQIGFR-UHFFFAOYSA-N 446.894 5.215 5 40 IKBB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409121612 YYLGSZZGYWBBHH-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB CCc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 2390838 OQLPPRIYMXPRKU-UHFFFAOYSA-N 440.547 6.074 5 40 IKBB CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] 8652760 GPJDIHDLTQEECK-SXWUTELSSA-N 429.733 9.213 5 40 IKBB O=[N+]([O-])c1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccc1Cl 12578390 RATDJXYUVCQSGL-UHFFFAOYSA-N 449.944 7.057 5 40 IKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 12619459 CYEKNJZMUKWCPH-KEZOAJOQSA-N 430.891 5.236 5 40 IKBB CCSc1nnc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s1 13113140 BVYCMILOASKQPP-UHFFFAOYSA-N 436.902 5.256 5 40 IKBB Cc1ccc(C)c(Oc2cc(NC(=O)[C@H](C)n3nc(C(F)F)cc3C)cc([N+](=O)[O-])c2)c1 13960128 AWWLIRABBUURCU-HNNXBMFYSA-N 444.438 5.646 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2Cc2ccccc2)c1 16044452 OSAHNMDWIPPEIJ-QFIPXVFZSA-N 436.309 5.709 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 408604063 DAISOZADCJEBNW-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB CC[C@@H](C)n1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 3399120 HYZQDTKEQMSWOZ-LLVKDONJSA-N 449.985 6.021 5 40 IKBB O=C(c1ccc(Cl)cc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 13371478 NWBDGQOAQNRJMS-UHFFFAOYSA-N 445.700 5.858 5 40 IKBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3cccc(C)c3C)cc2c1 17147037 SHXYFWMIMQOESN-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21 6150703 ZMVRRQFGMDGIQW-UHFFFAOYSA-N 431.927 5.210 5 40 IKBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(c1ccccc1)c1ccc2ccccc2c1 9356250 QLMNVRCXRQCCAP-UHFFFAOYSA-N 447.288 6.489 5 40 IKBB CC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 218882161 LQRYRRJPZUIGRC-UHFFFAOYSA-N 441.709 5.326 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1-c1ccccc1 409179210 KXBMFQYTOJSWKN-UHFFFAOYSA-N 425.440 6.411 5 40 IKBB O=[N+]([O-])c1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 102155273 FWTLYOGXRRNYPN-NRFANRHFSA-N 444.541 5.292 5 40 IKBB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409015277 ZGAUCPRLZDWZAY-LPXFMOJISA-N 446.912 5.662 5 40 IKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 409178678 MRBAFBRAMAEWOS-UHFFFAOYSA-N 437.451 5.850 5 40 IKBB Cc1ccc(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1 40398725 WXGXSFKIBSFFTI-UHFFFAOYSA-N 448.309 5.305 5 40 IKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 408681352 HVSNNGXOQAXDAB-JOCHJYFZSA-N 443.908 5.345 5 40 IKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)S2)cc1 408781829 FHRZXRCEBHYRGF-RWTNITNYSA-N 449.532 5.634 5 40 IKBB CCC(=O)Nc1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1C 409176384 MBXQFOZOHCIQFN-UHFFFAOYSA-N 434.448 5.401 5 40 IKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 666597 IHWCAHSIAPCXKW-UHFFFAOYSA-N 439.431 5.149 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2106361 SSJHNJIIDJLCPU-GOSISDBHSA-N 445.733 7.204 5 40 IKBB Cc1cccc2oc3cc(NCCc4ccccc4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9355051 NHSNRQUSFZGLEG-UHFFFAOYSA-N 446.506 5.904 5 40 IKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1cccnc1)c1nc2c(F)cccc2s1 9829718 XIWZAGKMSNZGIR-UHFFFAOYSA-N 442.859 5.239 5 40 IKBB CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 10444169 LYLBZAZDBMFLFB-PXLXIMEGSA-N 430.460 5.259 5 40 IKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 12574461 YMCBLWNUGNNCKB-OAQYLSRUSA-N 428.473 5.127 5 40 IKBB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409117572 NVKJVDOFRSYCLC-UHFFFAOYSA-N 426.900 6.065 5 40 IKBB COc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409118209 SVTFFOYOUMGIES-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3c(-c4ccc(N(C)C)cc4)cnc2c31 8792388 SILQNDZUTOYTAP-UHFFFAOYSA-N 449.510 5.342 5 40 IKBB biogenic CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409117954 YHFZJZOBFUWAPS-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2058702 UGQXSXDSHMXZQB-ZDUSSCGKSA-N 431.275 5.975 5 40 IKBB Cc1ccc(C(=O)[C@H]2CN(C)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 12954406 AHPXALHRXWQXDF-ISJGIBHGSA-N 442.515 5.196 5 40 IKBB COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc2ccccc2c1Br 17099703 KJLAJVLSXIETFI-UHFFFAOYSA-N 435.661 5.425 5 40 IKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1 20489195 ZPOTVRKKCILYOL-UHFFFAOYSA-N 436.895 6.029 5 40 IKBB Nc1ccccc1/C=C/c1cc(/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1[N+](=O)[O-] 68563797 OGUAQALKBNIQJC-BNFZFUHLSA-N 432.392 5.334 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(OC)cc1 224604013 VAKUHVZJXDBWSX-UHFFFAOYSA-N 436.464 5.142 5 40 IKBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 225866186 UOTJZLUXMYWCQC-UHFFFAOYSA-N 433.508 5.771 5 40 IKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 408560035 BQAKRTPGSZCXNS-QOCHGBHMSA-N 436.320 5.501 5 40 IKBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 781459 ZAJIGXPHQGDOMM-UHFFFAOYSA-N 428.448 5.017 5 40 IKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14272943 SIIHZGFTVXSGMJ-UHFFFAOYSA-N 449.894 5.332 5 40 IKBB COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C 225756870 SJKGGXOKHGRCNH-UHFFFAOYSA-N 440.496 5.009 5 40 IKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1[N+](=O)[O-] 3306882 PTDOYADDIGSLDE-UHFFFAOYSA-N 438.465 5.066 5 40 IKBB O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 5707243 PQHZYMLDHCIVGZ-UHFFFAOYSA-N 439.536 6.503 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(Cl)c1 224151760 SSFZLNMGZANUAQ-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB CCOc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409113978 PANXDWCMZCQNBV-UHFFFAOYSA-N 432.398 6.417 5 40 IKBB Cc1ncc([N+](=O)[O-])n1CCOc1c(Cl)cc(Cl)cc1CN(C)C1CCCCC1 1558850 PSWBTWNFJFQMPK-UHFFFAOYSA-N 441.359 5.250 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1)[C@H]1C[C@H]1c1ccccc1 8432263 AYFWMOYCTXGBJA-LNRXMEIDSA-N 441.487 5.079 5 40 IKBB CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8832669 KKYYDTMFRICYOX-UHFFFAOYSA-N 442.947 5.337 5 40 IKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9190291 AXGFZTZVLJNHMV-UHFFFAOYSA-N 439.880 5.786 5 40 IKBB Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NC[C@@H](c2ccc([N+](=O)[O-])cc2)S1 12590507 OCYRBGCWLGPNQC-NRFANRHFSA-N 432.505 5.786 5 40 IKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccc(Cl)cc1 12622014 FTIBNSUPPGQFMH-UHFFFAOYSA-N 432.936 5.098 5 40 IKBB Cc1cc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3c(C)noc3n2)c(C)s1 12902873 RYBPVWPOANJEIM-UHFFFAOYSA-N 426.429 5.176 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 16214910 GSWGAQSLAWDXMC-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB CCOc1ccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc23)cc1 16752112 UJIISWLOBWRUER-UHFFFAOYSA-N 437.429 5.048 5 40 IKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 17098301 CWALLEQRSUUFHN-QPJJXVBHSA-N 433.247 5.822 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20151010 KBPYRRSCOQZSKK-XYOKQWHBSA-N 444.443 5.567 5 40 IKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 197766492 IFOMKHMKEUUTNZ-UHFFFAOYSA-N 436.577 5.935 5 40 IKBB O=C(CSc1ccc(Br)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412516 ROUHCYKPIMAHIC-UHFFFAOYSA-N 436.114 5.395 5 40 IKBB O[C@@H](c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1568002 BDTADOOVIUVADX-PMACEKPBSA-N 428.281 6.494 5 40 IKBB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2053542 TUOMTNBNOVATPQ-SANMLTNESA-N 430.504 5.739 5 40 IKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2403267 RCUQPLBOWOIVMP-GFCCVEGCSA-N 438.318 5.561 5 40 IKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4ccccc4)cc3c3ccnc2c31 8792276 RVWSYUJVIUMYGU-UHFFFAOYSA-N 436.467 5.188 5 40 IKBB biogenic COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1 21595471 QZTCHYYMPNXAJL-ACCUITESSA-N 447.472 5.639 5 40 IKBB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2)c1 40487556 NTKGYONOMAKZOR-NRFANRHFSA-N 446.488 5.146 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1C 408693966 GFEUTXRPZNOVOB-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c3ccccc3cc3ccccc23)cc1 3283785 YYMFKPCUPVILIM-INIZCTEOSA-N 426.472 5.135 5 40 IKBB O=c1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c2c(ccc3ccccc32)o1 3515607 NUZNXHCBWPLLOL-UHFFFAOYSA-N 430.441 5.017 5 40 IKBB CC1=NN(c2ccccc2)[C@H](N=P(OC(C)C)(OC(C)C)OC(C)C)[C@H]1[N+](=O)[O-] 4114609 MIQOLQAFTCXERC-OALUTQOASA-N 426.454 5.075 5 40 IKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 9158351 MLNUSDWTEQPMPO-LBPRGKRZSA-N 438.318 5.561 5 40 IKBB CCN(C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 20178623 UDJBVFOGLUGUJY-UHFFFAOYSA-N 447.314 5.539 5 40 IKBB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1 59489909 MHFZSPHYCGNPJM-VWLOTQADSA-N 425.573 5.634 5 40 IKBB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409242755 YELNHAJSWDXHPI-DHDCSXOGSA-N 437.271 5.064 5 40 IKBB Cc1cccc(C)c1NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6443469 HQSANFLKUTYMFY-UHFFFAOYSA-N 445.548 5.697 5 40 IKBB O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2F)no1 12848812 WQUQIBSJXVDHIM-UHFFFAOYSA-N 435.367 5.139 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 17094631 OBKMZOWATOHZTM-UHFFFAOYSA-N 425.897 5.350 5 40 IKBB CC(C)N(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)C(C)C 33699236 LKVIDUSSJKDOAC-UHFFFAOYSA-N 440.576 5.695 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)C 224571070 SHCHEWUZHROWPN-UHFFFAOYSA-N 448.519 6.257 5 40 IKBB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl 225508467 IZGWGIQTKMYPEP-OAHLLOKOSA-N 432.904 5.112 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 408554313 CHOVUNBSJLAYQZ-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408826887 LDQFGEFMPMOPQG-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2Cl)cc1 1875482 WYTYSGGLNXAFOA-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 3287558 SQZDTQMGKICXNJ-UHFFFAOYSA-N 436.103 6.675 5 40 IKBB C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(Cl)cc2)n31 9292050 XGVZMVRPJZNVBC-NSHDSACASA-N 440.985 5.057 5 40 IKBB CCN1C(=O)C(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)c2ccc([N+](=O)[O-])cc21 15016659 ZSHCWXPFZFSYGA-UHFFFAOYSA-N 436.471 5.258 5 40 IKBB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2cc1OC 20183475 OVEFQQLKMRPMSF-UHFFFAOYSA-N 440.459 5.475 5 40 IKBB O=[N+]([O-])c1ccc(-n2c3cc(Br)ccc3c3ccc(Br)cc32)cc1 72334094 PYHOVFXXAAYVBD-UHFFFAOYSA-N 446.098 6.217 5 40 IKBB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC 106729167 VDAZCTPKKUIVGZ-MOSHPQCFSA-N 442.493 5.019 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc2ccccc2c1 2328430 HQJDTHSPBCUDKT-UHFFFAOYSA-N 433.511 6.369 5 40 IKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2367789 OMDPWLDBOPAEKN-CYBMUJFWSA-N 448.324 5.017 5 40 IKBB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cccc([N+](=O)[O-])c1 9366773 IQGGZMFYSSRXOU-UHFFFAOYSA-N 440.428 5.010 5 40 IKBB CC1CCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 106381111 QGCXCLGTOGVBQQ-UHFFFAOYSA-N 438.560 5.308 5 40 IKBB Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408621645 OXWYZGUSVFGKPF-UHFFFAOYSA-N 435.661 5.831 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 409181047 ZKAQOILVURXHLL-UHFFFAOYSA-N 432.476 5.502 5 40 IKBB O=[N+]([O-])c1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 409257069 NUQDTEAJKPPRMV-UHFFFAOYSA-N 441.306 6.213 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 1410537 UAXKJEBDWAPALP-UHFFFAOYSA-N 440.477 5.224 5 40 IKBB Cc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1[N+](=O)[O-] 2748949 KVYRFYRKKSFAOV-UHFFFAOYSA-N 426.259 5.576 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 869931 LPPXQANJQCAUDZ-UHFFFAOYSA-N 448.479 5.383 5 40 IKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(/C=C/c2ccccc2)cc1 12858263 YGNASNZMJINQQL-VOTSOKGWSA-N 430.489 5.372 5 40 IKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 13616820 BWSAUNXOCVAFOI-BKUYFWCQSA-N 434.835 5.172 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc2ccccc2c1 224316011 XXHQOFPLRNMMNP-UHFFFAOYSA-N 428.444 5.588 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 409178284 GHOOSGMFTHBJHF-FQEVSTJZSA-N 440.249 5.138 5 40 IKBB CCC[C@@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@@H](CC)c1ccccc1 4900987 OICXZJZJTBTPPS-BKMJKUGQSA-N 432.520 7.033 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 15945740 TVPAJBMMJAALFB-WYRIXSBYSA-N 443.525 5.355 5 40 IKBB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 27520293 IOTKMDRHHODEIS-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cc3ccccc3oc2=O)cc1 9906317 CHSRCDGUSIPJAT-UHFFFAOYSA-N 443.440 5.230 5 40 IKBB COc1ccccc1NC(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313201 UGXWHSNUZDIOQD-UHFFFAOYSA-N 432.530 5.132 5 40 IKBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c([N+](=O)[O-])c1 58178792 ZCWWFFRWHLPSDO-UHFFFAOYSA-N 449.488 5.151 5 40 IKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409180467 TYXCSNMIVDFATP-UHFFFAOYSA-N 425.440 6.334 5 40 IKBB CC[N+](CC)(CCOc1nnc(Cc2ccccc2)c2ccccc12)Cc1ccccc1 5469466 ODDQLTDDCDLQEK-UHFFFAOYSA-N 426.584 5.656 5 40 IKBB CC1=CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2cc(C)ccc21 8838286 XVMHORDCGKBYLZ-UHFFFAOYSA-N 426.925 6.614 5 40 IKBB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 17101289 YYPIFJYTJJQRQK-UHFFFAOYSA-N 437.452 5.244 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1C 224283041 DYASGBKEJBNTGI-UHFFFAOYSA-N 434.492 5.668 5 40 IKBB CC(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859433 HVBNGCBBUVVMIM-ILBGXUMGSA-N 431.488 5.943 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1Cc1ccc(Cl)cc1 2246348 CWQKOSUUPOHISR-UHFFFAOYSA-N 443.938 5.501 5 40 IKBB Cc1cccc(N(C(=O)CCC2CCCC2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3344646 UYCJLFPEKNAWJX-UHFFFAOYSA-N 435.549 6.662 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c(OC)c1 8432201 BAZCJNXHUZULCP-UHFFFAOYSA-N 429.432 5.080 5 40 IKBB Cc1c(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cccc1[N+](=O)[O-] 8874771 SBQRIUGOPYEXLL-UHFFFAOYSA-N 448.529 5.307 5 40 IKBB CC(C)n1c([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)nc2ccccc21 72305834 IKAPPJKSFALZSQ-OAHLLOKOSA-N 441.919 5.590 5 40 IKBB O=[N+]([O-])c1ccc(NN/C(Sc2ccc(-c3cccnc3)o2)=C(/O)c2ccccc2)cc1 102504835 SCTNPLLPOJHPMJ-FCQUAONHSA-N 446.488 5.843 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)c(C)c1 224211053 ZXUVTNNBISPLBD-UHFFFAOYSA-N 440.883 5.705 5 40 IKBB O=C(NCc1cccc(CN2CCCC2)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224591809 BSKBHTRRHRZCDV-NLRVBDNBSA-N 441.531 5.048 5 40 IKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1 409084293 CKMWHWLYQSUFOW-WSVATBPTSA-N 433.272 6.247 5 40 IKBB CCOc1ccc2nc3sc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c(N)c3cc2c1 6134278 NAJUVSUTFJJOAP-UHFFFAOYSA-N 433.449 5.056 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(F)c1 8836820 FTACNXHHJYVEGB-UHFFFAOYSA-N 429.499 5.311 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccccc2Br)n1-c1ccc([N+](=O)[O-])cc1 8927088 QJBDQJHIHRAGAZ-NTEUORMPSA-N 448.276 5.227 5 40 IKBB CCCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1OC 9291846 JXFCPIGENDWFDU-UHFFFAOYSA-N 441.531 5.982 5 40 IKBB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] 14269747 INFKQPNKKPVOOH-ZRDIBKRKSA-N 441.896 5.343 5 40 IKBB Cc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C 408974317 FBZKBCADMZFAKC-UHFFFAOYSA-N 429.483 5.749 5 40 IKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)c(C)nc21 5055117 SUZQWONZLFEIIU-UHFFFAOYSA-N 425.536 5.150 5 40 IKBB Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 6245455 LHNCAKKZDRLVQR-UUEDVCJNSA-N 441.531 6.203 5 40 IKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc([N+](=O)[O-])cc1 8722005 SJMKYOQIIMMNFW-UHFFFAOYSA-N 446.846 5.503 5 40 IKBB CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 8902999 SAAUGSDLUFEEAD-AWNIVKPZSA-N 427.460 6.178 5 40 IKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 10120103 MKOQJOUQQCZZMV-UHFFFAOYSA-N 439.427 5.839 5 40 IKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 408555655 HTTHUBIJZRQSGL-UHFFFAOYSA-N 431.433 5.173 5 40 IKBB COc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccc(OCCN3CCCC3)cc2)cc1 4213989 MFKMXUFMHOCZHP-RQZHXJHFSA-N 444.531 5.363 5 40 IKBB in-man Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8831876 DMOCIBSBIYMNKQ-UHFFFAOYSA-N 440.415 5.619 5 40 IKBB COc1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl 22107293 LUWPNBJAKXFOFE-UHFFFAOYSA-N 436.295 5.372 5 40 IKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccccc1 44086860 YNKJBLFNLQDCQK-UHFFFAOYSA-N 444.516 5.487 5 40 IKBB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 102975537 LRHYFWDUTCQRLG-NRFANRHFSA-N 440.286 5.986 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)cc1 224163413 URPUNSBLDMAFHS-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCC(C)CC2)c(C(C)(C)C)c1 226071232 YGNMZTREOZBLFC-XCYFHQAXSA-N 426.621 5.179 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)n(O)c2ccccc12 955779 MGLJGMHJLGBYKL-SFHVURJKSA-N 427.287 6.261 5 40 IKBB CC1=CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2c(C)cc(C)cc21 2362851 JMCUFHOJNLSMGB-UHFFFAOYSA-N 440.952 6.922 5 40 IKBB O=C(Nc1cc(Cl)cc(Cl)c1)OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 3105631 ZUWAHSMDEKQNHS-UHFFFAOYSA-N 433.247 6.443 5 40 IKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccc(C)cc2Cl)cc1 13112653 QILFBXRBAASSKI-UHFFFAOYSA-N 426.856 5.250 5 40 IKBB CC(C)c1oc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc23)nc1-c1ccccc1 84622414 GXSLBWHEZIWZMK-QFIPXVFZSA-N 428.492 6.263 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 107950295 NYJOZAIYQGQSIK-UHFFFAOYSA-N 435.343 5.098 5 40 IKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1ccccc1 861591 QLNYJWXYUGMFRH-UHFFFAOYSA-N 427.416 5.359 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2c(O)ccc3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 9157973 PFFFUWGESXADME-JQIJEIRASA-N 435.439 5.323 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc12 10010572 JLEYPQFMFKHZSV-UHFFFAOYSA-N 435.461 5.044 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2cccc3ccccc23)c([N+](=O)[O-])c1 100170559 IQOXZGIMXYXPQY-UHFFFAOYSA-N 445.391 5.730 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(Cl)cc1 224391338 YSWIAZBMWXSFKU-UHFFFAOYSA-N 442.924 6.110 5 40 IKBB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 2736911 HBJDGJJIKNKOQG-SFHVURJKSA-N 443.916 5.496 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 8872051 IMRXOSGEZTYRTE-UHFFFAOYSA-N 429.457 5.202 5 40 IKBB CCN1C(=O)C(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)c2cc([N+](=O)[O-])ccc21 15016976 LJCXWNUEKBJTQS-UHFFFAOYSA-N 436.471 5.258 5 40 IKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 33735150 CYEKNJZMUKWCPH-YCAMKHIRSA-N 430.891 5.236 5 40 IKBB COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)c1OC 95478961 OWECKCCSXXODSS-UHFFFAOYSA-N 445.475 5.541 5 40 IKBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCc1ccc(Cl)cc1 101205073 ZJKJRCIQCPYEOB-UHFFFAOYSA-N 446.963 5.277 5 40 IKBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225758035 ZHGPRRVUSMKJAZ-UHFFFAOYSA-N 432.520 6.376 5 40 IKBB Cc1ccc2sc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 1908406 LACDNTCINJMTHH-UHFFFAOYSA-N 434.433 5.340 5 40 IKBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(SCc2ccc(Cl)cc2)s1 3362339 CEGXZYNLAYLKEJ-JXMROGBWSA-N 432.914 5.044 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O 409175274 YTAFVMBFWKDLGA-XMMPIXPASA-N 427.412 5.235 5 40 IKBB C[C@@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2326421 WBKYDCSHTXPMPZ-KRWDZBQOSA-N 449.489 5.091 5 40 IKBB O=C(NCCOc1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 3664020 YOHZOBSOAWPNFR-UHFFFAOYSA-N 446.381 5.215 5 40 IKBB Cc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 9829669 NAUZJUMOKCXTKF-CSKARUKUSA-N 430.489 5.155 5 40 IKBB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-] 20522835 OMFKKILFUHHLML-UHFFFAOYSA-N 439.471 5.412 5 40 IKBB CCOc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(Br)c1OCC 25391840 RKXBKJZIBHTNNA-VMPITWQZSA-N 449.326 5.935 5 40 IKBB CCc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409110336 URKSAGQSLAOREI-UHFFFAOYSA-N 426.900 6.010 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2301461 KVCGQWVQWNGTCV-UHFFFAOYSA-N 441.535 5.045 5 40 IKBB O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1 5542301 HTXSNCDQUOKHEB-NRFANRHFSA-N 437.546 5.376 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c3ccccc3n2)cc1 7060169 ZRUOCORHCGCLRA-UHFFFAOYSA-N 429.432 5.080 5 40 IKBB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 8902955 KIOPCIJVRZFORC-UHFFFAOYSA-N 431.448 5.787 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccccc4Cl)o3)nc12 10010632 JBBBHFSJBMTGDO-UHFFFAOYSA-N 429.841 5.379 5 40 IKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 12532063 GLXLJGCLTAXMIV-LJQDGHHOSA-N 449.503 5.043 5 40 IKBB Cn1ccnc1-c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 40040631 MFBJLMSFHCUKQI-UHFFFAOYSA-N 439.884 5.025 5 40 IKBB Cc1ccc(N2C(=O)/C(=C/Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3C2=O)cc1C 103004382 XMLMUBHYALSYOI-DEDYPNTBSA-N 447.878 5.505 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4cccc(O)c4)[nH]c3-c3ccccc3)cc2)cc1 6446729 KVMVOWVVTVKGSQ-UHFFFAOYSA-N 433.467 6.692 5 40 IKBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccccc1Cc1ccccc1 12522144 FWRVJNPVLRXFNY-UHFFFAOYSA-N 434.495 5.290 5 40 IKBB Cc1ccc(N2C(=O)/C(=C\Nc3cc(Cl)ccc3[N+](=O)[O-])c3ccccc3C2=O)c(C)c1 12548770 XRLJVKFPKISXQU-UYRXBGFRSA-N 447.878 5.505 5 40 IKBB CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 12985913 QVRBIAFZMSJLIA-QFIPXVFZSA-N 427.863 5.047 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2[N+](=O)[O-])CC1 59294237 PUKVHCHOPVGKKP-UHFFFAOYSA-N 430.508 5.069 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 409182823 OWMJKWKOQZBWHF-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB O=c1oc2cc(O)ccc2cc1-c1csc(-c2cc3c(ccc4ccccc43)oc2=O)n1 3182996 PRISNVOJDAELAE-UHFFFAOYSA-N 439.448 5.549 5 40 IKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 15946357 XKCDUGXCBISGOX-FQEVSTJZSA-N 438.509 5.112 5 40 IKBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 97165925 YQZZHYULNUVVBJ-UHFFFAOYSA-N 434.320 5.110 5 40 IKBB O=[N+]([O-])c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 9013284 JYJUCQHEYWFQIY-HHHXNRCGSA-N 432.483 6.179 5 40 IKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9190294 MXCIYWZQFCQIMD-UHFFFAOYSA-N 438.443 5.959 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 16399617 YRICMBMQYRZUKB-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB CCCCCCN(CCCCCC)C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 19636985 IDVCDZCQEBRDST-UHFFFAOYSA-N 442.604 6.059 5 40 IKBB O=C(NCCOc1cccc2ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223509936 ZANLAQQBDOEUSP-NCELDCMTSA-N 438.483 5.484 5 40 IKBB CCN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409356555 HUZWVWQOFDEELS-CXUHLZMHSA-N 438.383 5.462 5 40 IKBB CCOC(=O)c1sc2c(c1NC(=O)c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCCC2 851924 MMKMZAGQMJTRBF-UHFFFAOYSA-N 440.477 5.224 5 40 IKBB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(F)cc2)C3=O)cc1 9447078 ODVIQAXUKYRPRR-QHCPKHFHSA-N 428.423 5.182 5 40 IKBB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 58180522 HDZLDGZGKNWCRF-KKSFZXQISA-N 436.537 5.145 5 40 IKBB CCCc1nnc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)s1 95471037 RFUJPYPXWNLEBP-UHFFFAOYSA-N 429.526 5.114 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C(C)=O)n2)cc1 408583043 RHHUDSYYUZFUSU-UHFFFAOYSA-N 449.410 5.433 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)n(O)c2ccccc12 955780 MGLJGMHJLGBYKL-GOSISDBHSA-N 427.287 6.261 5 40 IKBB COc1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)o2)c([N+](=O)[O-])c1 8819037 RRMDNKWVOKYHLA-UHFFFAOYSA-N 435.461 5.163 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccccc1[N+](=O)[O-] 9035974 RKWVPUSWRNZWAB-OUKQBFOZSA-N 448.276 5.227 5 40 IKBB C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nc4[nH]c5ccccc5c4nc3c1)C2 10129642 ORUFTGFSKZNLJS-JYJNAYRXSA-N 430.577 5.685 5 40 IKBB CC(C)c1ccc([C@@H]2N[C@H](c3ccc(C(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 33729868 BVCSLKXDQKWPKT-NVPYSNMXSA-N 439.556 5.636 5 40 IKBB O=C1CS[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1c1ccc(Cl)cc1 408558631 VAJQLVWKGJADGB-QFIPXVFZSA-N 440.908 5.606 5 40 IKBB CCCOC(=O)c1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 2113597 NJPQDFPZAHKJLI-UHFFFAOYSA-N 429.472 5.178 5 40 IKBB biogenic CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2248372 IASWTPXLWLNCKR-UHFFFAOYSA-N 431.927 5.186 5 40 IKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2289482 CLTOHKBPEZJQDO-UHFFFAOYSA-N 445.954 5.495 5 40 IKBB O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccccc1 13371641 WDRPDMSXELYOIZ-UHFFFAOYSA-N 427.416 5.359 5 40 IKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2cc1C 21578729 LSLPHUJYPHLNRB-CSKARUKUSA-N 427.460 5.980 5 40 IKBB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3c4ccccc4cc4ccccc34)C2)c(=O)o1 227173219 CBFKYFUNUOZLOG-XMMPIXPASA-N 446.506 6.638 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)cnc32)c1 2210196 BHPRCVGNWKZGQS-UHFFFAOYSA-N 445.526 5.506 5 40 IKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl 3259956 XZGNAGXZNAANKF-UHFFFAOYSA-N 438.050 5.004 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccc(Br)cc1 9137901 HIAMGDYXKDMBIH-NTEUORMPSA-N 448.276 5.227 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3n2)cc1OC 13957189 VWXRCRMTKGPDHC-UHFFFAOYSA-N 443.459 5.388 5 40 IKBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 17096420 FASSVMBBASSHPH-UHFFFAOYSA-N 429.432 5.462 5 40 IKBB CCOc1cc(CO)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409114666 KUDHTTIETIUQQY-UHFFFAOYSA-N 436.180 5.059 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2369514 ZGGYOHGESCOUGF-UHFFFAOYSA-N 425.536 5.345 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 17099719 FGXSGUXTAPNOMY-NTUHNPAUSA-N 435.867 5.081 5 40 IKBB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 22135475 JPCGBOFMZYRHNQ-UHFFFAOYSA-N 441.399 5.621 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 34704881 KNRTUTHMYRLJPY-UHFFFAOYSA-N 426.388 5.310 5 40 IKBB COc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 35203362 NMVFMDPESTWUMR-UHFFFAOYSA-N 431.455 5.140 5 40 IKBB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 59266020 PFUXYWPPGNZJEU-UHFFFAOYSA-N 425.363 5.213 5 40 IKBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214878012 YSWRVYZPWVZDLQ-LZYBPNLTSA-N 439.276 5.147 5 40 IKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 408786643 UJKVTJQYCVUAJM-RQLGBQGVSA-N 435.505 5.325 5 40 IKBB O=C(Nc1ccc(F)cc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975038 IXSLPHONFCTJMJ-UHFFFAOYSA-N 434.434 5.663 5 40 IKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)N1CCCc2ccccc21 1327827 UXDXKUQDMYHGSA-UHFFFAOYSA-N 442.569 5.464 5 40 IKBB O=C1CC(Nc2cc([N+](=O)[O-])ccc2Cl)=NN1c1c(Cl)cc(Cl)cc1Cl 19893647 KONNKNHQEUEYPZ-UHFFFAOYSA-N 434.066 5.371 5 40 IKBB O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(Cl)c1 35264345 WGRGQEZFHONTFU-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB COc1cc(/C=C/C(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc(OC)c1OC 40384446 LITJYRVSQBDKFZ-FMIVXFBMSA-N 428.488 5.374 5 40 IKBB Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl 1071779 SWFZHYGVOAWADE-SFTDATJTSA-N 443.286 5.746 5 40 IKBB Cc1ccc(C2(c3ccc(C)cc3)O[C@H](c3cccc([N+](=O)[O-])c3)Nc3ccccc32)cc1 8815675 XASBODLVPBZCTK-HHHXNRCGSA-N 436.511 6.644 5 40 IKBB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 9189823 ZGHVQEJEAKKSHL-UHFFFAOYSA-N 442.475 5.564 5 40 IKBB O=C(NCCC1=CCCCC1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975252 LGZMNDZWBJBPJM-UHFFFAOYSA-N 433.515 5.500 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)cc2)cc1 408992637 UNADQNMZQFVVNG-UHFFFAOYSA-N 447.516 5.820 5 40 IKBB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409182109 IYKUUEHWFJLAAR-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(C(F)(F)F)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2667963 HHKNFSLXWISYSO-LJQANCHMSA-N 444.840 6.916 5 40 IKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372881 VFMUSKJYFBMSCL-UHFFFAOYSA-N 442.475 5.557 5 40 IKBB Cc1c(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cccc1[N+](=O)[O-] 27842935 XGRSUHHLNAWNTI-UHFFFAOYSA-N 444.274 5.715 5 40 IKBB COc1ccc2c(c1)CN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H](c1ccccc1)C2 97164732 HJWSPKDYEYUTTQ-HSZRJFAPSA-N 431.492 5.552 5 40 IKBB C[S@@](=O)C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 96003635 WYKJILZFMDEBMA-ADSBAMQRSA-N 444.940 5.250 5 40 IKBB Cc1c(O)ccc2c1oc1c(-c3cc4ccccc4n(C)c3=O)c3cnn(C(C)C)c3nc12 96115695 VNROPZWGDNZQKA-UHFFFAOYSA-N 438.487 5.445 5 40 IKBB biogenic O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]21 104105349 JYEXLSPHXJKNIE-TXAUPYHESA-N 427.503 6.709 5 40 IKBB Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 1898570 PLHYXBVJJXEGOH-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(CC)c1 2222305 SAJOUQVRKXRTDJ-UHFFFAOYSA-N 439.563 5.735 5 40 IKBB CCCCC(=O)Oc1cn(Cc2ccco2)c2nc(CCCC)n3c4ccccc4nc3c12 9243131 QJVAFSRHFGXGKX-UHFFFAOYSA-N 444.535 5.917 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 19894511 WRTQSPLSWGMWNR-UHFFFAOYSA-N 449.463 5.785 5 40 IKBB CC(C)(C)c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100099212 ZPHWPHDCVHLDOH-UHFFFAOYSA-N 446.416 5.581 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1 3351492 RYFIOXFIHKPZDA-HSZRJFAPSA-N 431.879 6.193 5 40 IKBB CCCCCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 9046521 HSEQJNFDDGZPSO-UHFFFAOYSA-N 439.654 6.247 5 40 IKBB O=c1oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c2ccccc12 1781312 OIGNQNVIQNZTCJ-UHFFFAOYSA-N 446.293 5.574 5 40 IKBB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2254597 XWPQDNGLMNTEQV-CHLAXGMRSA-N 440.543 6.438 5 40 IKBB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 3106566 ZPEKWOOFEYZMNX-BXKMTCNYSA-N 429.476 5.128 5 40 IKBB CC(=O)Nc1cc(NC(C)=O)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 3845327 MLSRZXQOUBZKLY-WXUKJITCSA-N 441.487 5.852 5 40 IKBB O=[N+]([O-])c1ccccc1-c1nc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)[nH]1 13785498 SHPDJRANKWNBCC-UHFFFAOYSA-N 447.519 7.687 5 40 IKBB CC(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 20550262 JHHOCBPCDASKOH-XMMPIXPASA-N 430.464 5.982 5 40 IKBB COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 216413635 NVFIRYNNZAYEEX-XJMDBVJMSA-N 444.531 6.048 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408829538 OEEMRXPBHHCPBS-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409191505 XTLUOMGKNPLMQM-LDADJPATSA-N 425.853 5.280 5 40 IKBB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409193151 CTACXGNDWBNXIC-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2265215 MVJFATPJUKYORH-UHFFFAOYSA-N 439.563 5.789 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@@H](CC)C2 17100855 BSKZJKNTXQQHPZ-LLVKDONJSA-N 436.917 5.254 5 40 IKBB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1 19325616 WKWDRVMIHBMMEZ-UHFFFAOYSA-N 447.535 5.019 5 40 IKBB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409114495 JZVMXAYFHKCUJZ-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB O=C(O)c1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccccc2)cc1 16711356 KWYMJLDEXRIOFG-VHXPQNKSSA-N 431.473 5.104 5 40 IKBB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108243396 BVOOKZTXDINTIR-UHFFFAOYSA-N 435.383 5.000 5 40 IKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 408558674 VDWFABPVKWLNRQ-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 409182685 NHTIJRNTVZZWTI-AREMUKBSSA-N 437.451 6.043 5 40 IKBB O=[N+]([O-])c1cccc(-c2csc(-c3cccc(Cn4cnc(Cl)c4Cl)c3)n2)c1 2151055 LUSFOINEWBUOFI-UHFFFAOYSA-N 431.304 5.937 5 40 IKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 32109335 RTXDSUGVZKFNHZ-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 40115293 SXYUXEWRCVISNQ-MRXNPFEDSA-N 448.479 5.129 5 40 IKBB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409133383 MEWUIKCLCWKTNI-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB Cc1cc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)ccc1[N+](=O)[O-] 2791969 QWZJZXLWONZWBJ-UHFFFAOYSA-N 435.465 5.011 5 40 IKBB COc1ccc(-c2nc3sc4ccccc4c(=O)c3c3nc4ccccc4n23)cc1OC 9187665 CVRQCYNCOABSSX-UHFFFAOYSA-N 439.496 5.295 5 40 IKBB Cc1ccc(C(=O)NCCn2cc(SCc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 9391861 UWMSVQNNPYNZAD-UHFFFAOYSA-N 445.544 5.580 5 40 IKBB COc1ccccc1N(C(=O)c1ccccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13149204 ZBWLWERYUXHAGT-UHFFFAOYSA-N 445.500 6.014 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1 408695383 QHLJVSVHNJBFOJ-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 409143358 LXHQURQUNRZZCG-PXLXIMEGSA-N 448.500 5.832 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2249370 IXEXPAYYJJAWOJ-UHFFFAOYSA-N 447.901 5.500 5 40 IKBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1c(F)cccc1F 3316144 GQLLFRGWSAWBRT-LJQANCHMSA-N 446.793 5.063 5 40 IKBB Cc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 5208435 WMCDTWQWRSQVBX-UHFFFAOYSA-N 430.052 5.039 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1Cc2ccccc2[C@H](c2ccccc2)C1 12526504 YDEFWPACSWDFEO-SANMLTNESA-N 444.534 5.329 5 40 IKBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 13925214 IPAGPBUNQUPBKC-MOSHPQCFSA-N 434.835 5.172 5 40 IKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2c4ccccc4cc4ccccc24)N3)C1 15946340 PRVKSGUILKSJRD-XMMPIXPASA-N 427.573 6.250 5 40 IKBB CC(=O)N[C@H](CC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12)c1cccs1 21327205 SHRFBKXMDIVNPB-HXUWFJFHSA-N 442.544 5.217 5 40 IKBB O=[N+]([O-])c1ccc(O[S@](=O)N2C=Cc3ccccc3[C@@H]2c2cc3ccccc3[nH]2)cc1 1313661 UPCMVILYWUVVGU-SLGOVJDISA-N 431.473 5.110 5 40 IKBB CC(C)(C)NCC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568041 XASHCFPVHUSBBJ-FQEVSTJZSA-N 444.324 7.130 5 40 IKBB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 9283614 QCCGSQHXZDSSHR-UHFFFAOYSA-N 428.517 5.084 5 40 IKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14272470 AAEUNXFMDRQPBP-UHFFFAOYSA-N 441.468 6.384 5 40 IKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 33649512 SNWRSUBNOXTMFM-YWEYNIOJSA-N 435.263 5.956 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2333503 VWQDYHGBKQRLIZ-UHFFFAOYSA-N 445.954 5.576 5 40 IKBB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232840 IISYXBXUKXWTED-HYARGMPZSA-N 446.484 5.410 5 40 IKBB CCCCN(CCCC)[C@@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 16968434 QIKWRNONJWDKLN-SFHVURJKSA-N 440.425 7.229 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3CC[C@@H](CC)O3)c21 90415592 IMLOORYQWUJFQT-QRWLVFNGSA-N 446.499 6.095 5 40 IKBB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 224904431 OGZXQJHXPULDEI-UHFFFAOYSA-N 429.432 5.486 5 40 IKBB C(/C=C/c1c2ccccc2[s+]c2ccccc12)=C1c2ccccc2Sc2ccccc21 685944297 JATGASFVCYVCDK-UHFFFAOYSA-N 431.605 8.945 5 40 IKBB CC(C)(C)c1ccc(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])c(C(=O)c3ccccc3)c2)c1 2187271 REHRIUSXZVHHIM-UHFFFAOYSA-N 431.532 7.213 5 40 IKBB O=C(NCc1ccc(Cl)cc1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 8878844 URKSBPCPQWGVMZ-UHFFFAOYSA-N 437.886 5.175 5 40 IKBB biogenic O=C1NC(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)S1 13546428 CXNRTNSZCCLXIT-NSIKDUERSA-N 444.774 5.383 5 40 IKBB O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872107 ZVGLNIAISAECNX-XGRVOVSASA-N 426.519 5.257 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1C1CCCCC1 2238026 XOTSKXUNQDFCFD-UHFFFAOYSA-N 429.911 5.442 5 40 IKBB Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCCCCNCc1ccccc1 1640056 ZPNJDNPXOOBYAA-UHFFFAOYSA-N 435.615 7.310 5 40 IKBB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1[N+](=O)[O-] 3269093 BFWALJGAZVTDJV-LJQANCHMSA-N 444.365 5.150 5 40 IKBB Cc1cccc(OCc2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)c1 9562190 HIVKXBFDIDEOHJ-UHFFFAOYSA-N 430.485 5.509 5 40 IKBB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372858 OTDPWJJSTJXLAA-UHFFFAOYSA-N 427.932 5.689 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 14406259 NXWMEYONMXHGFY-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB O=C(Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 14920549 BKSPLNHZOXNWIE-UHFFFAOYSA-N 437.455 5.826 5 40 IKBB Cc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 19644119 REFXLKGQEOQUGK-UHFFFAOYSA-N 445.950 7.061 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccco1 408836811 VWDQTALFEGNRGG-UHFFFAOYSA-N 425.853 5.884 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2408075 ZTAUAUKCBZAQIW-UHFFFAOYSA-N 425.536 5.481 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ccccc1 8720647 UNQIORNCZJEFRD-VWLOTQADSA-N 432.523 5.255 5 40 IKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2)N1Cc1ccccc1 9763413 MBZLENGRNLZSDV-MHZLTWQESA-N 449.510 5.956 5 40 IKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(F)cc1 11026255 CWVKMZNEVPHPGL-UHFFFAOYSA-N 449.507 5.411 5 40 IKBB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/c1nc2ccc([N+](=O)[O-])cc2s1 13129946 HDJTVHNTJBBFKV-SOFGYWHQSA-N 431.304 6.176 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3)o2)cc1Cl 19634938 HBEVLPIJJFUQQF-CSKARUKUSA-N 441.896 5.343 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)o1 408988449 HZWAVMMSLMGOLD-UHFFFAOYSA-N 435.505 6.200 5 40 IKBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2736274 TYUMXIWDWYIZFI-SNVBAGLBSA-N 438.292 5.431 5 40 IKBB COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 3361196 HRLLSHADFLSUJV-UHFFFAOYSA-N 427.840 5.193 5 40 IKBB CC(=O)Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 3845210 BRLMFGFQBBPJDD-LDHFCIDVSA-N 429.432 5.802 5 40 IKBB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)c1C 8445985 ZNQFRLHEYCYCFF-UHFFFAOYSA-N 449.579 6.798 5 40 IKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 22529025 NTHJHLITAPOLKF-UHFFFAOYSA-N 449.898 5.577 5 40 IKBB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])no2)cc1 61997095 SIAXRNPHANCXFH-UHFFFAOYSA-N 425.441 5.080 5 40 IKBB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102969916 MQLNNTLHENOIHZ-VWLOTQADSA-N 447.535 6.578 5 40 IKBB Cc1ccc(Nc2cc3oc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 8818429 CLIQQMUDXNHUJY-UHFFFAOYSA-N 432.479 6.301 5 40 IKBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 9015609 ZOPSIGFBLDKLCJ-UHFFFAOYSA-N 449.466 5.519 5 40 IKBB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12610310 IPBXTZPTLTWGMN-HNNXBMFYSA-N 435.446 5.050 5 40 IKBB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 13645906 ZDWVTKLBCLWANC-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 408619497 IQDMJQXGCVWEIM-UHFFFAOYSA-N 433.847 6.840 5 40 IKBB O=C1S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1 409211836 OKLCTARSUAIQLC-LHHJGKSTSA-N 429.668 5.796 5 40 IKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2302438 SXUSJMRLQAYVTE-UHFFFAOYSA-N 441.535 5.045 5 40 IKBB CCN(CC)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 6148363 BQROZPXNDZNJQA-UHFFFAOYSA-N 438.491 5.390 5 40 IKBB O=[N+]([O-])c1ccc(COc2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccccc2)cc1 8855268 JGVQJUZFIRRVMT-UHFFFAOYSA-N 439.393 6.045 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 214226399 UFUDSBGHLALWQP-RGVLZGJSSA-N 438.436 5.539 5 40 IKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771561 OIRLSFKKLWJGSC-UHFFFAOYSA-N 448.519 5.614 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1cccc(F)c1 2417840 HUHHBMUWFPJRHO-UHFFFAOYSA-N 427.483 5.236 5 40 IKBB CCCCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@@H](C)O 8615540 YDTWYSPDSFVSJK-MRXNPFEDSA-N 433.017 5.271 5 40 IKBB O=[N+]([O-])c1cc(COc2cccc(C(F)(F)F)c2)ccc1Sc1ccc(Cl)cc1 12957058 DDABSVARDVPLMB-UHFFFAOYSA-N 439.842 6.997 5 40 IKBB Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20456872 VGJIGNSFBYYNMV-UHFFFAOYSA-N 428.535 5.137 5 40 IKBB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727601 XSRLDCYQOFVUOR-PDGQHHTCSA-N 438.486 5.576 5 40 IKBB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409120029 SLJMVZOPALKWJR-UHFFFAOYSA-N 440.927 6.455 5 40 IKBB COc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)ccc1OCc1ccccc1Cl 14356538 JANNNLTXOAOHHU-PKNBQFBNSA-N 446.890 6.554 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccccc2F)c(Cl)c1 16449676 QCLISXFTXCDNBC-UHFFFAOYSA-N 429.879 5.168 5 40 IKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)NCc2ccccc2)ncnc13 35313590 UMCVBHIOJLQPHY-UHFFFAOYSA-N 430.558 5.110 5 40 IKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1 409075129 UWNTWVWLMMSEBM-LICLKQGHSA-N 444.230 5.259 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)cc1/C=C/c1ccc(Cl)cc1 1714403 DQXLCWYBKTXKQI-FACPPWRESA-N 441.270 7.151 5 40 IKBB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc([N+](=O)[O-])cc1OC)C(C)(C)N2 9185687 NCTAGUDOXGIWKH-VZCXRCSSSA-N 429.523 5.295 5 40 IKBB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409051748 BNNIDMKAUMFGOH-ZDLGFXPLSA-N 432.885 5.272 5 40 IKBB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409118272 PLYOXDWETNRYRU-UHFFFAOYSA-N 440.927 6.455 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409203622 ZKGPRKHBBRMDBF-KGENOOAVSA-N 434.473 5.442 5 40 IKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 2370700 AJHKIFOGRKHHIR-UHFFFAOYSA-N 446.846 5.503 5 40 IKBB CC(=O)Oc1cn(-c2cc(Cl)cc(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 9292912 HGKZQSSFLPOGFK-UHFFFAOYSA-N 425.275 5.367 5 40 IKBB CSc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 9708023 WFDNXTBXEVFJDK-UHFFFAOYSA-N 436.518 5.168 5 40 IKBB COc1ccc(-c2noc(COC(=O)c3c4ccccc4cc4ccccc34)n2)c(OC)c1 13098244 HUBJPURFTFMCCA-UHFFFAOYSA-N 440.455 5.417 5 40 IKBB O=C(Nc1ccccc1)Nc1ccc2cc3ccc(NC(=O)Nc4ccccc4)cc3nc2c1 16489640 UGIVUPZGMGMNLT-UHFFFAOYSA-N 447.498 6.676 5 40 IKBB Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] 224965498 VRRDLMPJAPYZOQ-UHFFFAOYSA-N 433.851 6.131 5 40 IKBB COc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409110018 PNVXRNKANGZWSU-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 409387048 ZCJXKUHCHXESMI-UHFFFAOYSA-N 436.371 5.438 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2418314 DGWRXMJSFIKLHV-UHFFFAOYSA-N 439.563 5.789 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1 15946238 UYTHHWOOXFVHKO-CWTRNNRKSA-N 445.541 5.341 5 40 IKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccc(Cl)cc2)cc1 8853809 QJMZPUDUCWVPII-LVWGJNHUSA-N 439.899 6.198 5 40 IKBB Fc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1 10372631 MFAVBHRNVBPTTR-UHFFFAOYSA-N 428.304 7.624 5 40 IKBB CN(CCc1ccccn1)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 15208089 GHEZERQIRBHKBF-UHFFFAOYSA-N 426.476 5.074 5 40 IKBB Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(CN1CCC[C@H](C)C1)C2=O 16284109 JFCKYVCQTJQENV-FYSMJZIKSA-N 442.943 5.093 5 40 IKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 19639789 WUSLDEATNAMZLB-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2399932 XQSWYOOYQBYHLH-CYBMUJFWSA-N 437.425 5.273 5 40 IKBB CCCCCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 6147810 SQVMGMMAFKSQCA-UHFFFAOYSA-N 429.951 7.008 5 40 IKBB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)c1 8445980 NBWRUYRFMTVOHJ-UHFFFAOYSA-N 449.579 6.798 5 40 IKBB COc1cccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(OC)cc23)c1 20183556 MDGIUIOQZWBOBE-UHFFFAOYSA-N 426.432 5.166 5 40 IKBB O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N+]1(Cc2ccc(F)cc2)CCCCCC1 226072221 RZWZEZVXOGAGEL-HHHXNRCGSA-N 434.575 5.823 5 40 IKBB CC1=CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2cc(C)c(C)cc21 2269790 QIHSFZQSRZTNNF-UHFFFAOYSA-N 440.952 6.922 5 40 IKBB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 9836478 DXYOWZGLXDKYLT-NRFANRHFSA-N 438.867 5.402 5 40 IKBB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)sc2c1 12462633 PPOLSNMQHMNDQM-UHFFFAOYSA-N 439.518 5.289 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 16610815 OGRXMUJUJGJRJO-OAHLLOKOSA-N 445.475 6.177 5 40 IKBB O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)N[C@H](Cc1ccccc1)C(=O)O 35073695 DPTMGBIKSPWCNS-RUZDIDTESA-N 435.523 5.719 5 40 IKBB in-vitro CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(Cl)c1 224493989 RRMDOQGGEGPVIG-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408603893 BZXYLKLHPJUTIH-UHFFFAOYSA-N 447.806 5.709 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 408608011 LQVCPOBDYNWHDI-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1 409181671 FXJMXQGWDFKNCY-UHFFFAOYSA-N 441.281 5.497 5 40 IKBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1 856351 ULCRKURVLSGUOF-UHFFFAOYSA-N 433.367 5.587 5 40 IKBB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)c1 2776267 AXWMRXXQVKXCHY-UHFFFAOYSA-N 439.851 5.697 5 40 IKBB CCCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 17100872 DSZDFTCMUHZHLL-LLVKDONJSA-N 436.917 5.254 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225085810 RCVKLZUEDAJGII-UHFFFAOYSA-N 440.565 5.196 5 40 IKBB Cc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C 408978404 ZLXBDNYPGRZFQA-UHFFFAOYSA-N 444.498 6.140 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(OCCC(C)C)cc1 2353354 QFZAQECLGJGYCN-UHFFFAOYSA-N 425.532 6.220 5 40 IKBB COc1ccc(/C=C/c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 8926437 WAOTXUJORROSAS-JLHYYAGUSA-N 438.530 7.782 5 40 IKBB CCOc1cc(C(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)ccc1O 9224206 JFIBISRQTQFCMH-UHFFFAOYSA-N 429.472 5.199 5 40 IKBB COc1cc(CN(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1OC(F)F 12546745 SIVPGPGZYRJJNN-UHFFFAOYSA-N 442.418 5.072 5 40 IKBB Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)nc2c1 33590763 DCUPGOCABSKAIW-LBPRGKRZSA-N 439.522 5.022 5 40 IKBB O=c1c2ccccc2n(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12 4017938 QGLBRIJXYZJINR-VWLOTQADSA-N 448.566 5.218 5 40 IKBB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 8991186 UXLMGFGSMLYFAU-UHFFFAOYSA-N 428.448 5.249 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C\c2ccccc2)cc1/C(Cl)=C/c1ccccc1 13406696 SIGAOLLEFXESBW-UHWBUFEVSA-N 441.270 6.977 5 40 IKBB CCCCOCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1Br 72288271 ONXRMPHXYDCMOD-UHFFFAOYSA-N 435.318 5.129 5 40 IKBB O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872106 ZVGLNIAISAECNX-FQWUGETNSA-N 426.519 5.257 5 40 IKBB Cc1cccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 409179312 LWTZRGOPSYWKBQ-UHFFFAOYSA-N 434.448 5.158 5 40 IKBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13758743 YUATVIBXBPIBKZ-XXBNENTESA-N 449.850 5.219 5 40 IKBB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 13961173 ODPBHVPQUDQBCF-UHFFFAOYSA-N 447.882 5.420 5 40 IKBB COC(=O)c1ccccc1Nc1cc(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 51330883 NGUFIUWKEKVUNF-UHFFFAOYSA-N 426.432 5.249 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181186 SHIPMSQTVFILIN-XZOQPEGZSA-N 442.500 5.427 5 40 IKBB O[C@H](c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1568001 BDTADOOVIUVADX-WOJBJXKFSA-N 428.281 6.494 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4554590 DPEVXLPYRRHXBG-BUHDPESQSA-N 425.554 5.967 5 40 IKBB O=C1C(Cl)=C(NC2CCCCCCCCCCC2)C(=O)N1c1ccccc1[N+](=O)[O-] 6143455 CJUOWMKSGXQILQ-UHFFFAOYSA-N 433.936 5.181 5 40 IKBB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 58180517 HDZLDGZGKNWCRF-IIBYNOLFSA-N 436.537 5.145 5 40 IKBB Cc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)(C)C)c1 957919 BOJZGSVKWIQZES-UHFFFAOYSA-N 425.510 5.342 5 40 IKBB CCCCN(CCCC)CCNc1ccc(C)c2sc3c(Cl)cccc3c(=O)c12 4367242 QPYWMDCYKNSVJV-UHFFFAOYSA-N 431.045 6.691 5 40 IKBB COc1cccc(NC(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)c1 35313203 RVKTVMVWDGFQQE-UHFFFAOYSA-N 432.530 5.132 5 40 IKBB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 797184 KEYHOQMTHHQDPU-UUOWRZLLSA-N 443.503 5.518 5 40 IKBB COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2C)cc1 12350018 DKDWEWOHQMGAHT-LCUIJRPUSA-N 429.432 5.143 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)cc1 106685255 QKALBDPRTGKBTK-UUASQNMZSA-N 443.695 5.792 5 40 IKBB Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 409119701 QLYYJDQFBZVJAJ-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 20609893 SXPMHTXASZUDON-UHFFFAOYSA-N 439.431 5.149 5 40 IKBB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20970453 KLCWBSIKIOAYMG-HSZRJFAPSA-N 439.475 5.181 5 40 IKBB Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(CN1CCC[C@@H](C)C1)C2=O 221902504 JFCKYVCQTJQENV-VOIUYBSRSA-N 442.943 5.093 5 40 IKBB O=C1CS[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 408559234 YNQWWWHETTYFKC-QFIPXVFZSA-N 440.908 5.606 5 40 IKBB COc1cc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc(OC)c1OC 1098140 HFDRSWLVSDCOCW-FQEVSTJZSA-N 446.503 5.280 5 40 IKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c1 8831153 JSEMKIBILQZZRA-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCCCCC2)ccc1[N+](=O)[O-] 9891974 TYUJDINLOHLHQB-UHFFFAOYSA-N 440.503 5.341 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 15945765 FHBHKLZACIQMSX-DJJJIMSYSA-N 429.542 5.635 5 40 IKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 72229279 ZRNSHJQNHRXUOY-UHFFFAOYSA-N 438.709 5.253 5 40 IKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4[C@H]5CC[C@@H](C5)[C@H]34)cc2)cc1 408994957 JZDPBZKZLZYIBC-DHYWSWINSA-N 440.543 6.779 5 40 IKBB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 2749745 MLNXCPPOUNMKFR-RUZDIDTESA-N 441.487 5.263 5 40 IKBB CN1CCCCCCCC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCCC1 5599838 JJVMBEGWPHWXJD-QHCPKHFHSA-N 432.561 5.316 5 40 IKBB Cc1ccc(Sc2ccc(CSc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 8781546 DOLSFDULHQYXHS-UHFFFAOYSA-N 436.385 7.654 5 40 IKBB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 9445966 ISNYZFVXIBFFIH-UHFFFAOYSA-N 431.879 6.278 5 40 IKBB Cc1oc2cc(O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 9959438 LGAHLGNDACFDEN-INIZCTEOSA-N 444.443 5.083 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463594 KFGRJOKRWQJSDQ-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)C 224570994 LUROZYVVPZFPJC-UHFFFAOYSA-N 448.519 6.257 5 40 IKBB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409119613 TUNHZTHWQRCUIT-UHFFFAOYSA-N 447.318 6.410 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2285037 LDWYMKSGUZCRRW-UHFFFAOYSA-N 429.499 5.311 5 40 IKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccs2)c(-c2cccs2)s1 3256896 WWNRQIOSINZNEO-JXMROGBWSA-N 439.543 6.160 5 40 IKBB O=C(O)c1ccccc1-c1c2ccc3cc(O)ccc3c2oc2c1ccc1cc(=O)ccc12 4017374 LFZLBQHTPRXHSQ-UHFFFAOYSA-N 432.431 6.323 5 40 IKBB biogenic Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc(Br)cc3)c12 6151037 GRYJCVNCTMPMLR-UHFFFAOYSA-N 446.348 6.278 5 40 IKBB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1C 9331697 SUKVHCPCJDYDQG-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 16347626 GBWQTDYGHMRJOZ-UHFFFAOYSA-N 438.443 5.959 5 40 IKBB COc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1O 17208532 LJXPHHDBGYELDK-UHFFFAOYSA-N 433.420 5.070 5 40 IKBB Cc1ccccc1[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 30850170 NTJLXHLFCVCJFK-PCOPNOGXSA-N 448.522 6.350 5 40 IKBB Cc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 2351185 ZGTOMMVUUCQNSK-UHFFFAOYSA-N 426.520 5.820 5 40 IKBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235621 NEZFPOTXJPHONG-UHFFFAOYSA-N 436.320 5.531 5 40 IKBB CSC1=C(c2ccc(Cl)cc2)S[C@@H](N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 31861444 CPYDMUGQZURODB-NRFANRHFSA-N 448.013 6.260 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1Cl 224139584 PHQQJQIVUFXJME-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 409176508 POXLKKNOWAWXMV-HHHXNRCGSA-N 449.510 6.269 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2279160 KFKJSOYLAFPGGJ-UHFFFAOYSA-N 443.938 5.751 5 40 IKBB CCCC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9123947 HLWGBZBIDHIJCX-UHFFFAOYSA-N 430.483 5.624 5 40 IKBB CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1Cl 408829100 XBNLUFCDFZPCTR-UHFFFAOYSA-N 436.320 6.230 5 40 IKBB Cc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408973902 CIEPGXYRZHVKES-UHFFFAOYSA-N 446.539 5.997 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 409337390 UJRLGRNFSALBKI-NHZXSGKNSA-N 443.297 5.383 5 40 IKBB COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C(C)(C)C)cc1 2534613 DLDYTVQMMHPMHI-UHFFFAOYSA-N 433.551 5.599 5 40 IKBB CCC(C)(C)c1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(C)(C)CC)c1 3100769 VMNCIBIBJBLASV-UHFFFAOYSA-N 440.584 6.768 5 40 IKBB Cc1c(C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cccc1[N+](=O)[O-] 9660160 VSOUXYOKANTCDL-AREMUKBSSA-N 448.950 6.692 5 40 IKBB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372877 WNSRUAOHZDUYKL-UHFFFAOYSA-N 440.503 5.897 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1 13628333 QWXATJZIQLUMDC-UHFFFAOYSA-N 447.491 5.162 5 40 IKBB Cc1c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 2092094 QJRIPHNHMGPTED-IBGZPJMESA-N 439.508 5.099 5 40 IKBB biogenic CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)c(C)nc21 2448987 GORCIHPTPWIKPR-UHFFFAOYSA-N 425.536 5.036 5 40 IKBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3 9007625 RFWWPDRFQCVPSJ-UHFFFAOYSA-N 448.504 5.568 5 40 IKBB Cc1ccccc1Oc1cc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)cc([N+](=O)[O-])c1 19635589 WKFXVNVQPRNRFA-UHFFFAOYSA-N 442.422 5.346 5 40 IKBB O=c1[nH]c2cc3c(cc2c(-c2ccc(Cl)cc2)c1-c1ccc([N+](=O)[O-])cc1)OCCO3 19957226 RDGCSIKIRJJMRQ-UHFFFAOYSA-N 434.835 5.195 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 408557850 QFLBJVMURWNEKX-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 9323727 XZSLLXCRFBXMEZ-UDWIEESQSA-N 442.493 5.480 5 40 IKBB Cc1ccc(Sc2ccc(COC(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 12955154 LPDDWHJKQCCYPC-UHFFFAOYSA-N 428.897 6.457 5 40 IKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3n2)cc1 13371638 HQPUENYQGYAKGS-UHFFFAOYSA-N 439.431 5.149 5 40 IKBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 15828401 DKODHOZBFIAEQH-UHFFFAOYSA-N 439.427 6.224 5 40 IKBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)c1[N+](=O)[O-] 408606890 RQWPXYKKYYRHEG-JXMROGBWSA-N 448.262 5.386 5 40 IKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 2256357 VRJXVZDWWZOHCB-UHFFFAOYSA-N 431.927 5.186 5 40 IKBB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 13509772 BMLAUJASZQEACE-UHFFFAOYSA-N 443.507 5.291 5 40 IKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccccc5Br)nc34)c12 13644035 YVXKXABKACHWKM-UHFFFAOYSA-N 446.280 5.563 5 40 IKBB O=[N+]([O-])c1cc(Cl)c(/C=C/N2CCN(c3nsc4ccccc34)CC2)cc1Cl 39034331 IFRDFNTZAHTRLG-AATRIKPKSA-N 435.336 5.304 5 40 IKBB in-vitro CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225506975 MBLQKSDECFOKJA-UHFFFAOYSA-N 439.556 5.156 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 408602984 ABRMUMGBVVUNSC-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2c3ccccc3cc3ccccc23)cc1 8426103 SUDFBIIUBOECNQ-LJAQVGFWSA-N 426.519 7.161 5 40 IKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(OCc2cscn2)cc1 12794454 RKWCGNYZVUBVIZ-UHFFFAOYSA-N 443.480 5.339 5 40 IKBB Cc1cc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2n1 13857185 QLUQOYFEHFXVGM-UHFFFAOYSA-N 442.427 5.283 5 40 IKBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 17096288 JXRMLOWPNSLVSX-UHFFFAOYSA-N 429.219 5.357 5 40 IKBB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc1CC2 409053292 BTSFSBMOYMLVJY-UHFFFAOYSA-N 429.885 5.040 5 40 IKBB COc1cc([N+](=O)[O-])ccc1/N=c1\ssc2c1-c1cc(C)c(C)cc1NC2(C)C 8974697 DSKSXACITUTATN-XDOYNYLZSA-N 427.551 5.903 5 40 IKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 12619450 CYEKNJZMUKWCPH-KIHHCIJBSA-N 430.891 5.236 5 40 IKBB CCN1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O 408756799 JPGYYKUVLRUUDH-UHFFFAOYSA-N 439.265 5.102 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)cnc32)c1 2293470 MXKASCFVOKYFFO-LJQANCHMSA-N 445.526 5.510 5 40 IKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 408553705 AXISQXNNKQOEOA-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 408683695 NIBXEALGXSQZPW-MHZLTWQESA-N 447.494 6.507 5 40 IKBB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 409099987 SOSKWWSFUFOZOU-YBEGLDIGSA-N 444.230 5.259 5 40 IKBB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 409199049 NLHMDZDZUQSIRE-BZZOAKBMSA-N 449.919 5.723 5 40 IKBB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 3106568 ZPEKWOOFEYZMNX-OSPHWJPCSA-N 429.476 5.128 5 40 IKBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cc(Cl)ccc1Cl 9404464 GENKNBXGJQFBED-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1Br 14605092 VJSVKCISKHFNHY-UHFFFAOYSA-N 448.298 5.050 5 40 IKBB Cc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2c[nH]c3ccccc23)c1 18069204 DXXKPJRZKWKZMD-UHFFFAOYSA-N 441.516 5.925 5 40 IKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1 408679783 FHDGOYQOVMPJSH-JOCHJYFZSA-N 443.908 5.345 5 40 IKBB CCOC(=O)c1ccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2063635 SSNYNVBPHMUHHK-UHFFFAOYSA-N 442.496 5.990 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)c1 2413656 RHGMFYZXXLKERA-UHFFFAOYSA-N 437.547 5.714 5 40 IKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128270 HAWNCQFFZLHKMC-UHFFFAOYSA-N 426.347 5.859 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 408600234 XEXHAOCWBZNCMM-GRSHGNNSSA-N 442.399 5.370 5 40 IKBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccc(C(C)(C)C)cc3)nc21 2341573 DLEWGUUEGGKJSC-UHFFFAOYSA-N 449.554 5.261 5 40 IKBB CCCSc1ccc([N+](=O)[O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 12585129 SWXSJNHDXPOFHD-NSHDSACASA-N 429.325 5.810 5 40 IKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 108217747 KZTPDSYFNMAPHM-UHFFFAOYSA-N 442.947 5.481 5 40 IKBB CC(C)c1ccc([C@H]2N[C@H](c3ccc(C(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 217672527 BVCSLKXDQKWPKT-YCAMKHIRSA-N 439.556 5.636 5 40 IKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCc1ccccc1 225507954 RACOMEDLWTVQKK-UHFFFAOYSA-N 430.504 5.933 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)c1ccccc1 409180962 ZTFVYBQCSMGANN-UHFFFAOYSA-N 439.467 6.262 5 40 IKBB Cc1ccc(Sc2ccc(/C=C/c3nc(-c4ccc(C)cc4)cs3)cc2[N+](=O)[O-])cc1 12565872 VXTMJOIPVUJSKH-RIYZIHGNSA-N 444.581 7.657 5 40 IKBB Cc1ccnn1Cc1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643835 RWWJHZGVJAUVCQ-UHFFFAOYSA-N 447.474 5.045 5 40 IKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 17096470 VQJDDSNTGXGGIS-UHFFFAOYSA-N 429.480 5.321 5 40 IKBB CCC(C)(C)[C@H]1C/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3c(C(=O)O)c2C1 33634851 LKXSJHIQNWGUDA-FDWYHIAWSA-N 430.504 6.380 5 40 IKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408577494 ZQAGPJIDXMCADN-MRXNPFEDSA-N 433.302 5.136 5 40 IKBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1C(F)(F)F 1072304 IUMWEXJGAUWIEQ-UHFFFAOYSA-N 428.322 5.207 5 40 IKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 2630588 RVBRYHCOUWUTCB-FHWWYNCCSA-N 426.428 5.257 5 40 IKBB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215028980 GHSVYCWFOBLGEZ-LPYMAVHISA-N 448.500 5.772 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223123297 UXYBJPIJPMNALY-GOTSBHOMSA-N 448.548 5.555 5 40 IKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)cc1 408561534 JHEPGAWZOLNQMS-GYHWCHFESA-N 443.956 5.800 5 40 IKBB O=C(O)/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nc2ccccc2[nH]1 408632959 IBCSVDRWXIUCQQ-BKUYFWCQSA-N 447.472 5.268 5 40 IKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408613065 XERMSCXQETULST-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1 1717022 RUQGZBWIPGWOJG-UHFFFAOYSA-N 435.435 5.564 5 40 IKBB O=C1O[C@@H](c2cc3ccccc3c3ccccc23)SC1(c1ccccc1)c1ccccc1 2077464 MBLUHCFLLBEMOV-HHHXNRCGSA-N 432.544 7.225 5 40 IKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1 2268997 YUTHJZKDLXIZPE-UHFFFAOYSA-N 439.519 5.188 5 40 IKBB CCCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 17100870 DSZDFTCMUHZHLL-NSHDSACASA-N 436.917 5.254 5 40 IKBB CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCC2)c(C(C)(C)C)c1 226071155 KFCGRKKUXWCJRM-XMMPIXPASA-N 442.639 5.971 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 409182708 NZOUHVZDOQHHPR-FQEVSTJZSA-N 440.249 5.138 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1cccc2ccccc12 2326595 IOLHPOQXUBPGIQ-UHFFFAOYSA-N 433.511 6.369 5 40 IKBB O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 13865307 UROWRLFFVLIDRC-AQTBWJFISA-N 435.892 6.037 5 40 IKBB c1cc2ccc3ccc(COCc4ccc5ccc6cccc7ccc4c5c67)c4ccc(c1)c2c34 16123961 KDWSQWLDGXGQTK-UHFFFAOYSA-N 446.549 9.198 5 40 IKBB in-vitro COC(=O)c1c(C)n(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12 226768888 ZTCDYGNPAIZIFR-UHFFFAOYSA-N 438.823 5.246 5 40 IKBB Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Br 409178531 KTKMGUGWWJWZDI-UHFFFAOYSA-N 442.265 5.815 5 40 IKBB CCOc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409260364 PHKSFIBAAOWYQF-UHFFFAOYSA-N 437.433 5.971 5 40 IKBB CCOc1ccc(/N=c2/nc(-c3ccc(C)cc3)n(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 2666225 MSFRIIOGAALDMC-IZHYLOQSSA-N 446.532 5.508 5 40 IKBB Cc1ccc2[nH]c3c(cc(OC(=O)c4ccccc4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 4253554 UEJVREUXBKAUCG-UHFFFAOYSA-N 447.446 5.469 5 40 IKBB C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11436064 MQZOVEQYQGEZNQ-VIFPVBQESA-N 438.349 5.752 5 40 IKBB O=C(c1ccccc1)c1c(-c2ccccc2)n(C(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc12 3844613 ZKNGJKIFQLPIQB-UHFFFAOYSA-N 446.462 6.136 5 40 IKBB biogenic O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)cc1Cl)O2 12195533 BCKDQWDTAKTTNC-UNMCSNQZSA-N 440.286 6.144 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032456 IEYGESFJPGTDHJ-VXKWHMMOSA-N 434.521 5.165 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] 830090 NTNVOHKRIKSRQA-UHFFFAOYSA-N 430.416 5.019 5 40 IKBB aggregator O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 1509511 LZJMTCNSCICPOF-UHFFFAOYSA-N 429.457 5.202 5 40 IKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409011155 MMLYXBOWWAOHRG-MQMKENTISA-N 442.493 5.017 5 40 IKBB Cc1ccc2c(Cl)c(C(=O)Nc3ccc4ccc5cccc6ccc3c4c56)sc2c1 2073037 QKMQIFMTRXKHEE-UHFFFAOYSA-N 425.940 8.013 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2427571 OXOMFBIGUHHNSM-UHFFFAOYSA-N 429.499 5.311 5 40 IKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C)cc2)cc1 8684630 JELUGDKNMWECQI-UHFFFAOYSA-N 432.505 5.452 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(C1CCN(Cc3ccccc3)CC1)CO2 9130569 QAMDTIOJGCJHGW-UHFFFAOYSA-N 440.543 5.071 5 40 IKBB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12644972 IODHHKGHLKSANB-QGZVFWFLSA-N 449.507 5.193 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 13370716 ZMCUMYHYPJPARY-UHFFFAOYSA-N 440.253 5.232 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145105 DRSDFABWDQGHCL-KRXBUXKQSA-N 433.247 5.306 5 40 IKBB Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C)CO1 78877587 VGXGAZSXCFVTAA-OYHNWAKOSA-N 440.883 5.419 5 40 IKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 408783461 LOJGTLBWYVMYOJ-QCHPHUCNSA-N 435.505 5.325 5 40 IKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2417514 CIIPHMRZGNMVTM-UHFFFAOYSA-N 431.927 5.042 5 40 IKBB Cc1c(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)oc3ccccc23)cccc1[N+](=O)[O-] 9414133 LSHXHAIZXFGFBX-UHFFFAOYSA-N 449.850 5.807 5 40 IKBB O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1cc(Cl)ccc1Cl 9600126 PNHBANCIVLDKDS-UHFFFAOYSA-N 441.321 5.298 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1 16214871 YTDNIEKNJATEOE-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB COc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2ccccc2c1Br 17099704 QVZFOSDJIOLXNM-UHFFFAOYSA-N 435.661 5.425 5 40 IKBB Cc1cccc(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)c1 40398724 TZPSJHDAECPNTK-UHFFFAOYSA-N 448.309 5.305 5 40 IKBB COc1cccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)c1 408974717 CGZNLLIRQMNSOE-UHFFFAOYSA-N 431.455 5.140 5 40 IKBB CCOC(=O)Cn1c2cccc3cccc(c32)[n+]2nc3c(cc12)c1cccc2cccc3c21 629052 URAZUWIWFVRUJA-UHFFFAOYSA-N 430.487 5.389 5 40 IKBB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)[N+](C)(C)CC3)OCO2 1280427 GLCYMLMLQYKPQD-IRLDBZIGSA-N 440.604 5.530 5 40 IKBB biogenic Cc1ccc(/C=C/C(=O)N2c3ccccc3[C@](C)(c3ccc([N+](=O)[O-])cc3)CC2(C)C)cc1 2270302 GIMQMMHLDXKYDW-LLVWBFNDSA-N 440.543 6.438 5 40 IKBB O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1Nc1nc(Cl)nc(Cl)n1 2577799 HTTVQJAHXVRVQU-UHFFFAOYSA-N 428.688 5.635 5 40 IKBB CCCC(=O)Oc1cn(-c2ccc(C)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9124148 LHIUQKXOMHOXBY-UHFFFAOYSA-N 426.520 5.793 5 40 IKBB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17096231 ZSLWWXRCZBOZJP-UHFFFAOYSA-N 428.920 5.091 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463592 UGQUSWMOXBLGFU-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB COc1ccc2[nH]c(=O)c(-c3c4cnn(C(C)C)c4nc4c3oc3cc(O)ccc34)cc2c1 96115346 NFIVHVYAOMMOMC-UHFFFAOYSA-N 440.459 5.134 5 40 IKBB biogenic O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl 57316997 RZRCLKFGOPMOID-UHFFFAOYSA-N 435.661 5.201 5 40 IKBB CC1(C)CC2=C([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C1)[C@]1(O)CC(C)(C)C[C@@](C)(C2)C1 103109049 ICBQGNBHOXRZKL-WVQWTBLQSA-N 426.557 5.161 5 40 IKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409101733 XNSZYSJXGRMJDG-JAIQZWGSSA-N 440.377 5.685 5 40 IKBB Cc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 8809694 PURKLBYSEIDQIV-UHFFFAOYSA-N 426.816 5.461 5 40 IKBB Cc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)c1 33795197 OTGTXGBYUZWBGD-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cccc(C)c1 9344576 RGESQWBRHYJURJ-LCUIJRPUSA-N 429.432 5.143 5 40 IKBB O=[N+]([O-])c1cc2c(c(CSc3nc4ccccc4n3CCc3ccccc3)c1)OCOC2 12620720 ZBIISVYICNWJJS-UHFFFAOYSA-N 447.516 5.346 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1 409386381 FDRJTNDLRRNXJC-UHFFFAOYSA-N 435.383 5.043 5 40 IKBB O=C(CCCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 9592007 YUYVDOIBCSKAJN-UHFFFAOYSA-N 432.432 5.346 5 40 IKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409129050 JVRXGJFQSWHSCD-UDWIEESQSA-N 442.493 5.480 5 40 IKBB O=[N+]([O-])c1cc(COc2ccc(F)cc2F)ccc1Sc1nc2ccccc2s1 12961445 BIGYOFWAWDORRN-UHFFFAOYSA-N 430.457 6.213 5 40 IKBB O=c1cc(CSc2nnc([C@H]3COc4ccccc4O3)o2)c2c(ccc3ccccc32)o1 17658721 QFDIFYHJONXRNY-HXUWFJFHSA-N 444.468 5.134 5 40 IKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C 215014790 DJHVWNURNFYINN-UDWIEESQSA-N 442.493 5.017 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2355629 UNMVAMCORLAOSS-UHFFFAOYSA-N 445.954 5.826 5 40 IKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(\c3ccccc3)[S@](=O)Cc3ccccc3)c2c1 5734121 FKEOUYLTWWQQQK-VGYPXPETSA-N 435.530 5.512 5 40 IKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408542125 HGXIRSMNLQICKC-RAXLEYEMSA-N 430.460 6.193 5 40 IKBB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408603936 CERAUDSKRLZYLZ-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB CC(C)CCC[C@@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccccc12 11692082 KDBWVYSHURPHMV-MRXNPFEDSA-N 441.535 5.234 5 40 IKBB FC(F)c1cc(-c2ccccc2)c2c(n1)sc1c2ncn2nc(-c3cccnc3)nc12 13643863 JOQXVKIJWPUHDY-UHFFFAOYSA-N 430.443 5.554 5 40 IKBB COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)oc1ccccc12 14358025 DTVPTDOVIRWHRT-UHFFFAOYSA-N 431.448 5.355 5 40 IKBB Cc1ccccc1Oc1cc2oc3cccc(C)c3[nH]c2c2c(=O)c3ccccc3c(=O)c12 15023313 GVQKSNDOLMCLOV-UHFFFAOYSA-N 433.463 6.350 5 40 IKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 210198765 RRUVKCNPQNBSCB-ODLFYWEKSA-N 440.864 6.058 5 40 IKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408558977 TXRSVCSQSOSKQY-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB CCC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C 409176651 UIBIWMPZCKPGTJ-DEOSSOPVSA-N 446.459 5.033 5 40 IKBB COC(=O)c1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Cl 409272396 PXUQEJFASPKJHO-CPNJWEJPSA-N 436.851 5.214 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 2387778 VKRHQQHZYRRBLA-UHFFFAOYSA-N 445.564 6.061 5 40 IKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 8919390 HXHQMKNALVHZBV-YRNVUSSQSA-N 449.919 6.485 5 40 IKBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2cccc(C)c2)cc1 9553944 NQORMKQYSQUSDW-LCUIJRPUSA-N 429.432 5.143 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1SCC(F)(F)F 12522086 CPHPGRWXNKNUBT-UHFFFAOYSA-N 442.462 5.448 5 40 IKBB CCc1cc(NCc2cccc(NC(=O)c3ccco3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 40155616 SNVFXCKYVSOVEH-UHFFFAOYSA-N 443.463 5.072 5 40 IKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924495 ZXXFCWKZWDSLFU-KUXRSNICSA-N 431.661 6.644 5 40 IKBB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(OC)c1 224935105 JTFHCVPPIIJUMM-UHFFFAOYSA-N 445.431 5.186 5 40 IKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OC 225676947 KYZQIALCWIGGNJ-MRXNPFEDSA-N 440.496 5.009 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408560202 CNLCOSNTQOPGBI-VHXPQNKSSA-N 439.537 5.074 5 40 IKBB O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1ccc(C2CCCCC2)cc1 1811829 FSVHPICRAOMHFH-UHFFFAOYSA-N 441.487 7.152 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1 4554560 KOFZUUDHTKTICQ-TXUNIPKSSA-N 425.554 5.967 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c1 5216180 FXGAYNMHXRSFAG-UHFFFAOYSA-N 425.536 5.255 5 40 IKBB CCC(=O)Oc1cn([C@@H](C)CCc2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 9124200 YXGOAISVFBGCHF-SFHVURJKSA-N 440.547 5.909 5 40 IKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408621660 PCFJTAMQBYDWIR-UHFFFAOYSA-N 434.835 6.553 5 40 IKBB Cc1ccc(OCc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)o2)c([N+](=O)[O-])c1 2729921 UKBVLCCQDAFMIX-UHFFFAOYSA-N 440.540 6.183 5 40 IKBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 9730457 KCUJIBZSEJPOEO-UHFFFAOYSA-N 447.432 5.009 5 40 IKBB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 12043000 SGWKHORCXLIXGB-UHFFFAOYSA-N 433.851 5.746 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1c[nH]c2ccccc12 408571176 OAQHDBJCJFHFEH-OAQYLSRUSA-N 441.314 6.462 5 40 IKBB O=[N+]([O-])c1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)o2)ccc1Cl 408735897 ZACFUXNEDXGOTG-UHFFFAOYSA-N 427.869 5.764 5 40 IKBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408797144 GIGSBEHXJAXOSU-UHFFFAOYSA-N 444.851 5.410 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408823172 DZINAZZKNIQFPT-UHFFFAOYSA-N 430.489 5.649 5 40 IKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408994128 GIXVXZGXFCIJQO-BTIIJPOSSA-N 441.530 7.162 5 40 IKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1 409117847 OTNQKSNHMDRQSE-UHFFFAOYSA-N 426.472 6.578 5 40 IKBB CCCc1sc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)nc1-c1ccccc1 8815682 YFYYJSDFUUDDAH-UHFFFAOYSA-N 442.972 5.651 5 40 IKBB CC1(C)CC2=C([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C1)[C@@]1(O)CC(C)(C)C[C@@](C)(C2)C1 17185140 ICBQGNBHOXRZKL-QTLGCAHFSA-N 426.557 5.161 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224189198 XRYZMVSGEUAXHO-PKTZIBPZSA-N 442.500 5.427 5 40 IKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 2252851 SGTDJUJXBKVWAA-UHFFFAOYSA-N 445.526 5.203 5 40 IKBB Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C 8832010 OWDIJFLFWBAHOI-VQHVLOKHSA-N 447.878 6.325 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12)c1cccc([N+](=O)[O-])c1 9414124 NWTCRBFGMZHYAE-UHFFFAOYSA-N 435.823 5.499 5 40 IKBB CCn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 27260244 BURFWYHZSOLJTQ-LFIBNONCSA-N 436.471 5.439 5 40 IKBB CC1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229377 LAYNTYIJJLPDOX-UHFFFAOYSA-N 442.730 6.044 5 40 IKBB O=[N+]([O-])c1ccc2nc(Sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 101023781 JXLQDPMDWMGQRL-UHFFFAOYSA-N 446.344 5.191 5 40 IKBB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 1417360 KYLSWPZPHTZFOA-FYJGNVAPSA-N 434.473 5.383 5 40 IKBB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cc2c(ccc3ccccc32)oc1=O 9404696 SKBFWOXHBSCHQE-UHFFFAOYSA-N 448.503 6.060 5 40 IKBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 17096287 VPHGETSOIMFMSS-UHFFFAOYSA-N 429.219 5.357 5 40 IKBB CC(C)c1ccc([C@@H]2N[C@@H](c3ccc(C(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 19848893 BVCSLKXDQKWPKT-CJRSTVEYSA-N 439.556 5.636 5 40 IKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 51330329 RUMZSDFKUNSUKI-FGODQDRRSA-N 445.469 6.674 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1c[nH]c2ccccc12 408569980 KLYHBTMISSRRQQ-FQEVSTJZSA-N 441.314 6.462 5 40 IKBB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] 677495 NCDJLTXDYNURRN-UHFFFAOYSA-N 445.475 5.961 5 40 IKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 8903194 ZPHMMNQSVAWEKS-UHFFFAOYSA-N 433.873 5.067 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 9345348 TVTWJAZECXRZJB-LADGPHEKSA-N 433.895 6.107 5 40 IKBB CC1CCN(c2ccc(C(=O)Oc3ccc4oc5c(c4c3)CCCC5)cc2[N+](=O)[O-])CC1 12546919 RDNXQLKSBBTSRM-UHFFFAOYSA-N 434.492 5.675 5 40 IKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)S2)cc1 408781828 FHRZXRCEBHYRGF-MFUBYVTQSA-N 449.532 5.634 5 40 IKBB CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 8783296 NZYQZOHIKNAUDS-XMMPIXPASA-N 448.588 7.040 5 40 IKBB Cc1ccc(Nc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 9183530 QZLXZAUYLQFBDH-UHFFFAOYSA-N 432.479 6.301 5 40 IKBB CCOc1ccc(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)cc1 13121490 DRCSEDVZRTZTQY-UHFFFAOYSA-N 430.485 5.687 5 40 IKBB O=[N+]([O-])c1ccc(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)cc1 13598041 GFNQAVXWHFRWCK-UHFFFAOYSA-N 438.256 6.221 5 40 IKBB O=[N+]([O-])c1c(/C=C/c2ccccc2O)nc(Nc2ccccc2)nc1Nc1ccccc1 16490502 ABHBPHPRJSBGRB-FOCLMDBBSA-N 425.448 5.748 5 40 IKBB C1=C[C@H]2c3ccccc3Cc3ccc4c(c32)c1c1ccc2cc3ccccc3c3ccc4c1c23 95869648 VUGCJEKOSQLHPQ-SANMLTNESA-N 428.534 8.953 5 40 IKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 1178097 ZTJTXJZIONWETE-SDNWHVSQSA-N 428.423 5.239 5 40 IKBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2305273 GMMBLZMVWARCIG-UHFFFAOYSA-N 426.388 5.310 5 40 IKBB COc1cc(Cl)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 12194940 XANUQRHTTVEBSP-NZQKXSOJSA-N 435.867 5.499 5 40 IKBB Cc1cc(C)c(C)c(Oc2cc(NC(=O)CCn3ncc(Cl)c3C)cc([N+](=O)[O-])c2)c1 13960131 MWHBAAHUCSNEIK-UHFFFAOYSA-N 442.903 5.499 5 40 IKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 14272310 KFRIRNLUXRKCMZ-YRNVUSSQSA-N 449.850 5.717 5 40 IKBB C[C@H]([C@H](O)c1ccccc1)[N+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 16322595 MCPADCZUJLTWHH-OSOGPMAWSA-N 444.598 7.242 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(Br)cc2)cc1 409182164 IRVVNBYUYJCUQY-UHFFFAOYSA-N 427.254 5.189 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 2422486 RLWCBXBTRQAOCT-UHFFFAOYSA-N 425.536 5.231 5 40 IKBB CCCCN(CCCC)CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12 4522733 HGSXFOIOGNLXRU-UHFFFAOYSA-N 431.045 6.691 5 40 IKBB Cc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1Br 9090163 VQFROQSXGPDNTB-UHFFFAOYSA-N 446.305 5.326 5 40 IKBB CCCOC(=O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 9318427 MGTCGOQCHXNXQA-UHFFFAOYSA-N 428.448 5.515 5 40 IKBB O=C(O)c1cc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)nc2ccc(Br)cc12 2277202 CLJBUCDNWDXRPR-UHFFFAOYSA-N 449.260 5.938 5 40 IKBB O=C(CN(C1=NCCCCC1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 16768873 UKJNXTJRHWGGTG-UHFFFAOYSA-N 430.302 5.019 5 40 IKBB C[C@H]1CCc2c(sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)c2C(N)=O)C1 21595931 JMRSOFTUTRZVOU-QMMMGPOBSA-N 449.941 5.000 5 40 IKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C 32116502 YBBNAWKTCJJVRZ-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cccnc3)c12 79193591 PKVHEPXOFOZTDB-UHFFFAOYSA-N 428.492 5.677 5 40 IKBB biogenic O=[N+]([O-])c1ccc(S/C(=C2/Nc3ccccc3S2)c2nc3ccccc3s2)cc1 101218985 SCCQWWPXOZPSQR-VXPUYCOJSA-N 435.555 6.841 5 40 IKBB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2053541 TUOMTNBNOVATPQ-AREMUKBSSA-N 430.504 5.739 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C(C)(C)C)CC3 6142748 JSXKZLYIXHTOCR-HNNXBMFYSA-N 442.537 5.601 5 40 IKBB Cc1nc2ccccc2c2c(NC(=O)COc3ccc(F)cc3Cl)c3ccccc3n12 13096893 DDLMVGDRQLJUJB-UHFFFAOYSA-N 433.870 5.759 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408563103 UCMOVUHEISJNPQ-LNVKXUELSA-N 445.928 5.110 5 40 IKBB O=[N+]([O-])c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 409098290 OFYYXPOYVZZRGZ-UHFFFAOYSA-N 436.924 5.712 5 40 IKBB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 16711424 QKZRRGSYSBVQHQ-YSBOMUIGSA-N 447.516 5.099 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc(C)c(C)c2)cc1 19894499 BMBJUECFWQIWSF-UHFFFAOYSA-N 443.528 6.563 5 40 IKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 20411465 FXXRVVPACZDNIK-UHFFFAOYSA-N 433.873 5.067 5 40 IKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1 408565038 BBJRBXAQLMRTJJ-JOCHJYFZSA-N 434.521 5.238 5 40 IKBB Cc1cc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)ccc1Cl 408608488 WRUWVNLXTPHZQW-BJMVGYQFSA-N 427.844 5.041 5 40 IKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1[N+](=O)[O-] 408727683 RMRIQYVLMDAJRX-ODLFYWEKSA-N 440.864 6.058 5 40 IKBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 409098321 OIDOHCDSVRCIMJ-UHFFFAOYSA-N 432.505 5.067 5 40 IKBB Cc1ccccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409181242 ADBQHDBEMNCQCW-UHFFFAOYSA-N 434.448 5.158 5 40 IKBB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409181662 FSNCQGLNMHUMJI-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB CCCCN(CCCC)CCC[C@H](O)c1c2ccc(Cl)cc2nc2ccc(OC)cc12 4365533 GVDPLQZTQOLSDP-VWLOTQADSA-N 443.031 6.766 5 40 IKBB O=c1c2ccccc2c2nccc3c4cc(OCc5ccc(Cl)cc5Cl)ccc4n1c32 8792135 HDNPCOUAGQCZKP-UHFFFAOYSA-N 445.305 6.478 5 40 IKBB biogenic CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2c1Cl 57315714 UKHAXEGSFAZHIR-UHFFFAOYSA-N 431.901 5.244 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOC(=O)c1ccccc1Cl 2327866 YGNJKBKPVBPPFJ-UHFFFAOYSA-N 431.879 5.257 5 40 IKBB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409116591 JNMZTGNKKZIWRU-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB Cc1cc(C)c2nc3sc4c(S[C@H]5Cc6ccccc6C5=O)ncnc4c3cc2c1 1327871 FIXNXCOIKCHNOG-SFHVURJKSA-N 427.554 5.909 5 40 IKBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140465 ICCZRTQXZUIPHA-UHFFFAOYSA-N 438.823 5.513 5 40 IKBB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 27298482 WHBRZBSTUDTVIA-UHFFFAOYSA-N 441.443 5.261 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(F)cc1 408562238 OHMDJQVYWNYTIJ-ATJXCDBQSA-N 433.892 5.241 5 40 IKBB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 1327842 FTRJTLAQDIUYKH-CQSZACIVSA-N 442.569 5.463 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 3274560 UPFTYXLRXBPJTK-UHFFFAOYSA-N 436.562 5.374 5 40 IKBB CCc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3n2)cc1 9704316 JNMBRUYGFXVHJU-UHFFFAOYSA-N 426.472 6.038 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224189262 XRYZMVSGEUAXHO-XZOQPEGZSA-N 442.500 5.427 5 40 IKBB COc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C(C)(C)C)c1 226071193 AUVQFRZFKKORQZ-QHCPKHFHSA-N 426.621 5.323 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408564082 XNAUBXALOIEDQV-VHXPQNKSSA-N 439.537 5.155 5 40 IKBB Cc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c(C)c1 2254123 GPWQLAOLXPAMEJ-UHFFFAOYSA-N 440.419 5.069 5 40 IKBB COc1ccc(C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](c3ccccc3)C2)cc1 8692033 CIUJRBUERMUQIZ-OAQYLSRUSA-N 435.867 5.248 5 40 IKBB aggregator O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232799 XBWQVMWXRORDPZ-OEAKJJBVSA-N 440.480 6.138 5 40 IKBB COc1ccc(CNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 9311297 IKIDNEGXZKUEDV-UHFFFAOYSA-N 448.478 5.562 5 40 IKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Br)ccc1Cl 14376708 UHIILAUNCBWOSH-UHFFFAOYSA-N 438.690 5.387 5 40 IKBB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 20145350 JIGDDDMEJKLOME-UKTHLTGXSA-N 444.443 5.567 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 20342401 CZYSJOISILZJAN-CQSZACIVSA-N 449.894 6.822 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)c1 100964682 WSFCLRCGKYKQLH-NSYGIPOTSA-N 429.451 6.363 5 40 IKBB COc1ccccc1-c1noc(CSc2nc3ccccc3c3nc4ccccc4n23)n1 9670033 ZTKFKNMWTHBTIN-UHFFFAOYSA-N 439.500 5.387 5 40 IKBB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 10542810 PMQACEPQJXTKMR-UHFFFAOYSA-N 433.316 6.446 5 40 IKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc(OC)c1O 79494983 RMKKXGUFHPZXRH-UHFFFAOYSA-N 449.463 5.021 5 40 IKBB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 797185 KEYHOQMTHHQDPU-HOYKHHGWSA-N 443.503 5.518 5 40 IKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1 9425610 NEZAFUUJGBADBB-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 9836477 DXYOWZGLXDKYLT-OAQYLSRUSA-N 438.867 5.402 5 40 IKBB O=C(OCc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 12956826 IOOGTDTXGJWDMX-UHFFFAOYSA-N 434.300 6.410 5 40 IKBB Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 408695288 PLPJSXBORGICNZ-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc(Cl)cc3Cl)c12 2439551 WDNLTFCCROREIT-UHFFFAOYSA-N 436.342 6.822 5 40 IKBB Cc1nc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1Br 9190341 NJHZYEPCWYOFLJ-UHFFFAOYSA-N 426.679 5.181 5 40 IKBB Oc1ccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)cc1 9310179 HAQVISNVHNAJFF-UHFFFAOYSA-N 436.252 5.847 5 40 IKBB Cc1ccc(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)c([N+](=O)[O-])c1 12528974 VXNQJLFWAYFXLN-HXUWFJFHSA-N 435.530 5.985 5 40 IKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 15277444 NVAXHCKOYSPKMX-MHWRWJLKSA-N 429.215 5.506 5 40 IKBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408802476 YHPIIQWPRLGUOT-UHFFFAOYSA-N 444.851 5.410 5 40 IKBB Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Br 409178119 JKEPPCDNSHNTTB-UHFFFAOYSA-N 442.265 5.815 5 40 IKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409354977 AZFKIYQRMQNCCA-UUYOSTAYSA-N 448.500 6.017 5 40 IKBB CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2241691 YDQQNIGEQXCYOJ-UHFFFAOYSA-N 447.878 5.502 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1 2251975 LKUMJQZIRXUTCD-UHFFFAOYSA-N 425.536 5.282 5 40 IKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)cnc32)c1 2332301 MYWXYLIVIZOVHW-SFHVURJKSA-N 431.499 5.201 5 40 IKBB O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128266 TWRSFYGDTABVJN-UHFFFAOYSA-N 426.347 5.859 5 40 IKBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 95470832 XWKWYVKDNIZTNV-UHFFFAOYSA-N 447.244 5.464 5 40 IKBB COc1ccccc1/C=C/c1cc(/C=C/c2ccccc2OC)c([N+](=O)[O-])cc1[N+](=O)[O-] 1714416 QOUIKXZFYIGUNQ-PHEQNACWSA-N 432.432 5.861 5 40 IKBB Cc1cc2c(cc1C)N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ssc(=S)c1-2 1805847 YJQGBTQMEUJSHH-UHFFFAOYSA-N 442.587 6.627 5 40 IKBB COc1ccccc1-c1c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)n[nH]c1C 9130636 RRIKJYCTWOCCIF-UHFFFAOYSA-N 431.448 5.254 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2ccc(CO)o2)c1 20145336 HQZISHGLYGXIDJ-JLHYYAGUSA-N 430.416 5.259 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223114779 XAQHRQLPNRXXLR-GOTSBHOMSA-N 448.548 5.555 5 40 IKBB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976422 RCVRIXCZXQATBA-UHFFFAOYSA-N 437.547 5.824 5 40 IKBB CCCOc1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)cc1OCC 8792414 OIHJGAPDFNKWCH-UHFFFAOYSA-N 448.522 6.446 5 40 IKBB biogenic Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 10187710 TWGMZPIZMBSEBC-UHFFFAOYSA-N 444.925 5.470 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)O)c(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 20140561 PGVKVDLXEUYTIB-UHFFFAOYSA-N 435.219 5.421 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 57313734 HNLQNNKKANEZDX-DHZHZOJOSA-N 427.869 5.035 5 40 IKBB O=[N+]([O-])c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1/C=C/N1CCCC1 82049910 DNEJPOSZPBWBLS-DTQAZKPQSA-N 430.504 5.819 5 40 IKBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214434000 QQMWUPDOBXKZSO-FRKPEAEDSA-N 439.276 5.147 5 40 IKBB COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409118245 NNMNMHGPJKPCOL-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c(C)c1 12651959 QXJFRGQBRZBLMN-CPNJWEJPSA-N 447.878 5.505 5 40 IKBB C[C@H]1C[C@H](C)C[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 36631448 ADAOHCAHEMYLFX-QONNDPFASA-N 430.612 5.786 5 40 IKBB CCOc1ccc(NC(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)cc1 408995452 ACPOGRVQNUUATH-UHFFFAOYSA-N 434.521 5.008 5 40 IKBB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409198778 FHENHKTYPWDWGZ-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB CCCC[C@H](O)C[N+]1(Cc2ccc(Br)cc2)CCC(c2ccccc2)CC1 4105180 YUODEXAENTVRQL-NEQFMPMPSA-N 431.438 5.895 5 40 IKBB Cc1nc2ccccc2c2c(NC(=O)CCc3nc(-c4ccco4)no3)c3ccccc3n12 12740798 RWDHHUCTJVZAEF-UHFFFAOYSA-N 437.459 5.163 5 40 IKBB Cc1ccc(-c2cc3[nH]c4ccccc4n3c(=O)c2Sc2ccc([N+](=O)[O-])cc2)cc1 102921316 ACXOEKMDRAUASJ-UHFFFAOYSA-N 427.485 5.816 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 1838340 YFWWUQIOBGPFCB-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)c([N+](=O)[O-])c1 20140601 XCQITSWWEKXBKK-UHFFFAOYSA-N 432.432 5.476 5 40 IKBB Cc1noc(/C=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[N+](=O)[O-] 408542270 IPASXJFOIIPOPE-VURMDHGXSA-N 435.314 5.781 5 40 IKBB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C 898882 KBYGDDIVKQDFGQ-OSPHWJPCSA-N 429.476 5.128 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2424167 SPCKMXLCPWXBOH-UHFFFAOYSA-N 439.563 5.426 5 40 IKBB CC[C@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)cc1 2424328 TWCOYVADESLEOR-IRXDYDNUSA-N 425.536 5.768 5 40 IKBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(Cl)c([N+](=O)[O-])c1 9391588 DVHBCAWDZPHBRQ-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)ncnc1Nc1cc(Cl)ccc1Cl 32099430 YHMAHALLWDLUIU-UHFFFAOYSA-N 445.093 6.486 5 40 IKBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1821291 HOMASDBUXNJERM-UHFFFAOYSA-N 442.452 6.284 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Br)cc2)cs1 1957972 AMTJZLXRRJVBDT-RUDMXATFSA-N 430.283 5.133 5 40 IKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8989998 CCVWZFZHZWMLID-UHFFFAOYSA-N 434.433 5.340 5 40 IKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3O)nc2c1 8990984 MHQFTVKKBFRNNE-UHFFFAOYSA-N 437.839 5.631 5 40 IKBB COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 408623211 RQCLLTIAHSWWJX-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409022567 VJHMKDLKUXCETM-UDWIEESQSA-N 442.493 5.017 5 40 IKBB O=C(O)C[C@@H](C(=O)O)[C@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1673205 PMCXMNWKMHPDIP-LEAFIULHSA-N 434.491 6.454 5 40 IKBB Cc1ccc(C)c(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)c1 2235358 CNZKBLDACWNOML-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2418620 AKVVEUVGWCEPQT-UHFFFAOYSA-N 441.535 5.181 5 40 IKBB Cc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3cccc(Cl)c3n2)cc1C 8856452 HYLYNCZDIISAMH-UHFFFAOYSA-N 431.879 6.333 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 22076821 RHQYRWWDRIFLRD-UHFFFAOYSA-N 440.714 6.017 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408561972 MGHNFZSLPUVCJB-FLFQWRMESA-N 447.919 5.631 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)c1 2228428 GJEIJFBHFDRAKM-UHFFFAOYSA-N 445.526 5.143 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(Sc1ccccc1)cc1sc3ccccc3[nH]c12 4256353 WMVMERNLDYTQKA-UHFFFAOYSA-N 437.545 6.561 5 40 IKBB CCCCCN(CCCCC)[C@@H](C)C(=O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 8602984 OYLJUWDAOVQPJD-DEOSSOPVSA-N 445.691 8.678 5 40 IKBB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(F)cc2)C3=O)cc1 9447074 ODVIQAXUKYRPRR-HSZRJFAPSA-N 428.423 5.182 5 40 IKBB CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2ccc3ccccc3c12 9663070 QMDWMTJZOCJZDP-UHFFFAOYSA-N 427.529 5.441 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCc1ccc(Cl)cc1Cl)CO2 20610282 LPNIKPAOQRUCMJ-UHFFFAOYSA-N 440.326 5.956 5 40 IKBB biogenic O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2cccc([N+](=O)[O-])c2)c1 24522765 UDXOXGKYZSKDJT-VAWYXSNFSA-N 428.404 5.196 5 40 IKBB Cc1cccc(Oc2cc(NC(=O)c3cccc(Br)c3)cc([N+](=O)[O-])c2)c1 1516064 JSSNGHXZBWITEP-UHFFFAOYSA-N 427.254 5.710 5 40 IKBB O=C(Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Cl)c1ccccc1 2738589 ANNRGWBRJHPFMT-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2-c2nc3ccccc3s2)C1 11847396 OQTFRTNUWODVAV-NSHDSACASA-N 439.518 5.903 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 35671784 CMFYXSHBZHRYQE-UHFFFAOYSA-N 444.472 5.223 5 40 IKBB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 58180519 HDZLDGZGKNWCRF-HRAATJIYSA-N 436.537 5.145 5 40 IKBB CCOc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 104403463 VXKGDWXOWRUNIB-UHFFFAOYSA-N 430.558 6.205 5 40 IKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1C 108135248 OVVMSQIEEXOXCK-UHFFFAOYSA-N 429.885 5.252 5 40 IKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccc([N+](=O)[O-])c1 826459 JYWOAZGSISWFBV-UHFFFAOYSA-N 438.237 5.418 5 40 IKBB Cc1cccc2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 887004 BAGQDBKPZZZXBQ-UHFFFAOYSA-N 430.489 5.244 5 40 IKBB Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 2404584 NAWLCUHOEMAZDS-UHFFFAOYSA-N 430.549 5.179 5 40 IKBB O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9215705 YUATVIBXBPIBKZ-WMZHIEFXSA-N 449.850 5.219 5 40 IKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4cc(Cl)cn4)cc3)nc12 13961045 BFWAJTGFYYBGPW-UHFFFAOYSA-N 445.939 5.069 5 40 IKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17101670 CNWKCHGGCITSKP-ZZXKWVIFSA-N 437.666 6.467 5 40 IKBB Cc1noc(/C=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1[N+](=O)[O-] 408542435 JMQBELRLGDUHML-CLFYSBASSA-N 428.275 6.371 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2197310 KSNHGPJYYIOPLJ-UHFFFAOYSA-N 431.516 7.404 5 40 IKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 4014464 VNTWAKLKIYXBDV-UHFFFAOYSA-N 439.255 5.052 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 9345349 TVTWJAZECXRZJB-ISKFKSNPSA-N 433.895 6.107 5 40 IKBB Cc1csc(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2)n1 14729678 JCLFUSDFOAQJMM-UHFFFAOYSA-N 425.513 5.285 5 40 IKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 225872937 ZURMHHLVWQIUDM-UHFFFAOYSA-N 449.507 5.009 5 40 IKBB O=c1oc(-c2ccc(Cl)cc2)nc2c1c1nc3ccccc3nc1n2Cc1ccccc1 3187930 QMWJJPJCQFOYTA-UHFFFAOYSA-N 438.874 5.455 5 40 IKBB CCCCc1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 8973688 KCLVLQBSTIKDKN-UHFFFAOYSA-N 440.547 6.047 5 40 IKBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1ccc(Cl)cc1Cl 12658042 HBFREOYAWLFBTM-SECBINFHSA-N 437.201 5.464 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 13372404 LMOWSYTUGZQOQX-UHFFFAOYSA-N 438.270 6.369 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl 17097352 PDAIILZKQCSJEQ-SOFGYWHQSA-N 431.275 6.430 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223123115 UXYBJPIJPMNALY-DHIUTWEWSA-N 448.548 5.555 5 40 IKBB CC(C)Oc1ccccc1-c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1 659799 QGQXZJJQNSNVJL-UHFFFAOYSA-N 427.460 5.850 5 40 IKBB Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4s3)c(Br)n12 710232 STUHLCFJOXRFCG-UHFFFAOYSA-N 435.328 5.215 5 40 IKBB CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 2054777 CRSQODSWTBUKPF-UHFFFAOYSA-N 443.503 6.938 5 40 IKBB COc1cccc(Oc2c(C)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)c1 2428638 ZGLZUDNMGRWZTA-UHFFFAOYSA-N 433.416 5.390 5 40 IKBB biogenic CC[N+](CC)(CC)CCOc1ccccc1N(CC[N+](CC)(CC)CC)c1ccccc1 5333425 NGLJGDQYRFMERG-UHFFFAOYSA-N 441.704 5.957 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)cc1Cl)O2 12195536 BCKDQWDTAKTTNC-IRLDBZIGSA-N 440.286 6.144 5 40 IKBB CCCCNCC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 17109611 QCUSFDIBXKYUIB-OAQYLSRUSA-N 443.431 6.844 5 40 IKBB O=C(Nc1ccccc1Cl)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 33788220 WDUQZKCEDRLNJO-UHFFFAOYSA-N 435.874 5.785 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1 214351574 XZPUNXWOAUYJTC-RGVLZGJSSA-N 438.436 5.539 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)(C)C 224175554 GRJWMKPXBQFIOG-UHFFFAOYSA-N 448.519 6.041 5 40 IKBB Cc1noc(/C=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)c1[N+](=O)[O-] 408543235 NZUAWNZHNKQPGD-MDZDMXLPSA-N 428.275 6.371 5 40 IKBB Cc1cc(C)c2nc3sc4c(SCC(=O)Nc5cc(C)on5)ncnc4c3cc2c1 1327859 XOPIGUYMXCJMQO-UHFFFAOYSA-N 435.534 5.037 5 40 IKBB CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccccc3c3nc4ccccc4n23)cc1 2959695 LISBMJDKWVFUCN-QHCPKHFHSA-N 440.572 6.108 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 8767591 WJWBMEKPCDGQNF-SDNWHVSQSA-N 435.443 5.134 5 40 IKBB Cc1ccccc1C(=O)NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21 9391834 QBQXEXKCCHPNOZ-UHFFFAOYSA-N 445.544 5.580 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cccc([N+](=O)[O-])c3)s2)cc1 9599875 KDRDELXPIVUICB-UHFFFAOYSA-N 428.539 5.288 5 40 IKBB Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 10187698 YOBYHVQXRFVAPE-UHFFFAOYSA-N 444.925 5.470 5 40 IKBB O=[N+]([O-])c1ccc(SCN(CSc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 31670206 CAVSKPFVLVHALV-UHFFFAOYSA-N 441.534 5.805 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C(C)C 224568377 NLEAMBVRXJLVNZ-UHFFFAOYSA-N 434.492 5.948 5 40 IKBB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408677732 RCWMHQDLZFRHTD-UHFFFAOYSA-N 443.459 5.043 5 40 IKBB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 3106567 ZPEKWOOFEYZMNX-XDHUDOTRSA-N 429.476 5.128 5 40 IKBB Cc1cc2nc(-c3ccc(CNC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2cc1C 10120368 DZBCMLDJDXKRLU-UHFFFAOYSA-N 435.867 5.603 5 40 IKBB COCc1cc(C)nc2sc3c(-c4ccccc4)nc(-c4ccc([N+](=O)[O-])cc4)nc3c12 12445647 ZDARMULOVZGDMS-UHFFFAOYSA-N 442.500 5.937 5 40 IKBB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 19635862 KLAQUXUJMNWWKU-UHFFFAOYSA-N 442.475 5.564 5 40 IKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 408605850 GYBSILNVTOWVGD-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 9190290 MJLLBWGJNSZEAQ-UHFFFAOYSA-N 439.880 5.786 5 40 IKBB Cc1cc(OCC(=O)O)cc(C)c1Cc1cc(-c2ccc([N+](=O)[O-])cc2)c(O)c(C(C)C)c1 13475084 PBZAEAFSLYJVGD-UHFFFAOYSA-N 449.503 5.762 5 40 IKBB O=C(c1cccc2c(Cl)cccc12)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16431563 RSQRNMFZLZCYHA-UHFFFAOYSA-N 430.291 5.017 5 40 IKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3cccc([N+](=O)[O-])c3)c12 20183456 NLHCIWHLUMYLRA-UHFFFAOYSA-N 441.403 5.066 5 40 IKBB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409132562 KOSQURZGMLHPGY-LWJGVMBGSA-N 443.503 5.302 5 40 IKBB Cc1nc2c(sc3ccccc3n2C)c2nc3c(sc4ccccc4n3C)c(C)c12 13208342 ATOJLSUPPYWAFC-UHFFFAOYSA-N 428.586 6.784 5 40 IKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 16284347 KDGUUTZCWBCGOI-OUKQBFOZSA-N 449.470 5.442 5 40 IKBB O=C(Oc1cc([N+](=O)[O-])c(Cl)cc1Cl)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl 33506462 CVUDBPILLYLOSC-UHFFFAOYSA-N 441.994 5.694 5 40 IKBB in-vitro CCCCCCc1cc2c(cc1OCc1ccc(C(=O)OC)cc1)oc(=O)c1ccccc12 1902733 OXLJSQDYGFUQLV-UHFFFAOYSA-N 444.527 6.435 5 40 IKBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122612 GEXXFQOFAULTSO-UHFFFAOYSA-N 444.516 5.724 5 40 IKBB COc1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1[N+](=O)[O-] 58009232 RRFRJYSVNOLWAE-UHFFFAOYSA-N 446.290 5.148 5 40 IKBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OCc1ccccc1 408624978 WJPXAMGTCGTTJQ-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408813526 NKTJKUSHOYBUHQ-UHFFFAOYSA-N 440.888 5.580 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Nc1ccccc1 409179598 RTHZYRFGEDJAQU-UHFFFAOYSA-N 440.455 6.488 5 40 IKBB O=C1O[C@H](c2cc3ccccc3c3ccccc23)SC1(c1ccccc1)c1ccccc1 2077465 MBLUHCFLLBEMOV-MHZLTWQESA-N 432.544 7.225 5 40 IKBB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2281333 ULYZWBUUVLIJQR-XMMPIXPASA-N 441.443 5.635 5 40 IKBB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C1=O 9389022 UEUAZRWAHRZCRW-NDEPHWFRSA-N 448.478 5.067 5 40 IKBB Cc1cc(NC(=O)c2cc(Br)ccc2Cl)nc2c1c(=O)oc1ccccc12 11726693 BLWARNZPHCLYOO-UHFFFAOYSA-N 443.684 5.318 5 40 IKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 19645817 SGBXNYMIPREWNO-UHFFFAOYSA-N 447.447 5.046 5 40 IKBB COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c(-n2c3ccccc3c3ccccc32)c1 169803925 WRFFPASSLHCGAS-SANMLTNESA-N 436.467 5.997 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408827894 KYPGCAXWWFCXGE-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9411553 XCCBACCAKQHQRU-WMZHIEFXSA-N 449.850 5.219 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Cl)c2ccccc2)cc1/C=C(/Cl)c1ccccc1 13402334 PBRPOONQQCXZRL-KVOOEGMKSA-N 441.270 6.977 5 40 IKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 408572059 QNDADSROBHFNKW-QHCPKHFHSA-N 430.504 5.863 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 409183171 RWNPWPAYIDRCQM-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 409193225 FTXHTZJCRTXULH-IZHYLOQSSA-N 429.501 5.378 5 40 IKBB CCOc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 2668009 KQDUGKODSXUGLL-UHFFFAOYSA-N 432.321 5.947 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 16610855 SQQXSRGYNSEFFC-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224189143 XRYZMVSGEUAXHO-DHIUTWEWSA-N 442.500 5.427 5 40 IKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)Cc2ccccc2)cc1 226069452 MLLFQLYVRAVSFR-VWLOTQADSA-N 442.664 5.433 5 40 IKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(Br)cc1F)C3 2115398 NSGLOICXQVBRPT-UHFFFAOYSA-N 426.241 5.204 5 40 IKBB biogenic O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9192274 MJRPOKZWJOQUAI-UHFFFAOYSA-N 428.920 5.091 5 40 IKBB CCCC(=O)Oc1cn(-c2cccc(F)c2)c2nc(CCC)n3c4ccccc4nc3c12 9243569 IIXXHYDANLPTNI-UHFFFAOYSA-N 430.483 5.624 5 40 IKBB CCCCC(=O)Oc1cn(-c2ccccc2)c2nc(CCCC)n3c4ccccc4nc3c12 9292609 PREIEJZKIWKBGT-UHFFFAOYSA-N 440.547 6.265 5 40 IKBB Cc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl 21595261 DYLGBJLJWLXZEH-VQHVLOKHSA-N 439.880 6.078 5 40 IKBB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc([N+](=O)[O-])o4)C3=C(O)C2)cc1 100429186 LCZUKGLXFDKHQR-OWJWWREXSA-N 431.448 5.825 5 40 IKBB CC1CCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 408977536 WNDMOJXOLFQDOC-UHFFFAOYSA-N 438.560 5.308 5 40 IKBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 1831524 GSUXLYRDRHNULY-NDENLUEZSA-N 434.835 5.172 5 40 IKBB CCn1c2ccccc2c2cc(N3COc4ccc5c(oc(=O)c6ccccc65)c4C3)ccc21 2125371 JHVJHUVRBNBQPW-UHFFFAOYSA-N 446.506 6.431 5 40 IKBB biogenic Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3ccc4ccccc4c3)c12 2408573 AIRPJVQIEDSKFP-UHFFFAOYSA-N 431.495 6.056 5 40 IKBB Cc1nc2c3c4c(sc3n3c(SCCCc5ccccc5)nnc3n2n1)CC[C@@H](C)C4 9307198 OUZVUDPOIAZSCT-CQSZACIVSA-N 448.621 5.145 5 40 IKBB C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 14361209 NLRDFMDYABZJFW-QGZVFWFLSA-N 446.532 5.307 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408613572 YDWNXCIBJZGCAA-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB COc1ccc2c(Cl)c(C3=N/C(=C\c4cccc([N+](=O)[O-])c4)C(=O)O3)sc2c1Cl 408973631 ZUNQRSWTVSESRW-WQLSENKSSA-N 449.271 5.469 5 40 IKBB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409060151 UBOMTGBKNFIFFN-ZDLGFXPLSA-N 432.885 5.272 5 40 IKBB COc1ccc(N2C(=O)c3cccc4c(Oc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)cc1 819765 FZXIGPHENJHHKA-UHFFFAOYSA-N 440.411 5.350 5 40 IKBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2249071 QVOYTDKKISYFMY-UHFFFAOYSA-N 438.318 5.246 5 40 IKBB CSc1cccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)c1 9708021 JKPCTTVHCPIBQP-UHFFFAOYSA-N 436.518 5.168 5 40 IKBB Cc1ccc(Sc2ccc(/C=C/c3cc(C(=O)O)c4ccccc4n3)cc2[N+](=O)[O-])cc1 16050477 PAPWNZOKTLBXAE-CSKARUKUSA-N 442.496 6.471 5 40 IKBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)cc1 101345207 KHYWSAIDYKPCRI-UHFFFAOYSA-N 432.457 5.098 5 40 IKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1 9763792 MBZLENGRNLZSDV-HHHXNRCGSA-N 449.510 5.956 5 40 IKBB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 12979994 IDMOHWFCVCADKB-CQSZACIVSA-N 445.928 5.425 5 40 IKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 17178306 BRKMDGROTVSFFJ-UHFFFAOYSA-N 436.876 5.946 5 40 IKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1 106685518 KMKIPECUMVTLSM-UNOMPAQXSA-N 433.445 5.019 5 40 IKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 214538732 KXVDQXNGNJPJMY-WSDLNYQXSA-N 448.500 6.017 5 40 IKBB Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl 1071782 SWFZHYGVOAWADE-LEWJYISDSA-N 443.286 5.746 5 40 IKBB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC 8832062 XPYKXVHNXKTAPP-XBXARRHUSA-N 445.884 5.041 5 40 IKBB COc1ccccc1-c1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n12 9002140 KAZOIVOPQVWTQV-UHFFFAOYSA-N 427.847 5.471 5 40 IKBB Cc1cc(C)cc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)c1 9292154 ISBSUICKXBQCNR-UHFFFAOYSA-N 440.547 6.128 5 40 IKBB O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13856543 PKBMKGMOCHVWTL-UHFFFAOYSA-N 446.242 5.734 5 40 IKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2266495 CZYMTDJHMSCOKI-YIJROUQKSA-N 426.516 6.130 5 40 IKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3139341 WJMROSHWCXSBCR-DTQAZKPQSA-N 427.485 6.037 5 40 IKBB Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)c(C)n1C 12546453 MYARZZGYWHCOIT-UHFFFAOYSA-N 438.484 5.003 5 40 IKBB COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 12696760 UOUYLWKSWFZILT-VXLYETTFSA-N 436.851 5.329 5 40 IKBB CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 19630726 NGGAYXOPUAPWFC-UHFFFAOYSA-N 439.899 5.997 5 40 IKBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 20457618 KLFVFZXXLYUIRL-UHFFFAOYSA-N 446.459 6.574 5 40 IKBB Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463616 PYAIMLKENQOEGA-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408806218 MEEKLXLBNCICEE-UHFFFAOYSA-N 429.952 6.718 5 40 IKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1cccc(C)c1 2414421 NWMNWSHCSICZKT-UHFFFAOYSA-N 437.547 5.660 5 40 IKBB Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1Sc1ccccc1[N+](=O)[O-] 2718512 ZPARVDCFKFZFFC-UHFFFAOYSA-N 437.502 5.521 5 40 IKBB O=[N+]([O-])c1cc(Oc2ccccc2)cc(Oc2ccc(I)cc2)c1 3038221 JGEBAGOFYGCPMW-UHFFFAOYSA-N 433.201 5.784 5 40 IKBB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc12 4149970 ADZHGGIIUGSZAF-UHFFFAOYSA-N 438.461 5.114 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(NCCc1ccccc1)cc1oc3ccccc3[nH]c12 9310941 TWEBJHAOXOMZJY-UHFFFAOYSA-N 432.479 5.596 5 40 IKBB COc1ccc(Oc2ccc(/C=C(\CC(=O)O)c3nc4ccccc4o3)cc2[N+](=O)[O-])cc1 14022791 JWWPILXHFRXICV-FOWTUZBSSA-N 446.415 5.552 5 40 IKBB O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)ccc1Cl 37258179 OUJSBPXCOCNVOQ-KNQAVFIVSA-N 440.286 6.144 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2323692 LRQBXLJQCLIBHA-UHFFFAOYSA-N 445.954 5.690 5 40 IKBB Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3Cl)oc2c1 17098653 QPDMHIBWZNZKLH-UXBLZVDNSA-N 433.851 6.017 5 40 IKBB CC(C)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C2CCCCC2)cc1 22011505 CUNGPHLIJQBAIX-DEOSSOPVSA-N 434.540 6.179 5 40 IKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn2c(-c3ccoc3C)nnc2s1 67299812 XTJWMZASZQKURB-UHFFFAOYSA-N 441.856 5.551 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224188936 OLTSMJAHAFAZCD-PKTZIBPZSA-N 442.500 5.427 5 40 IKBB COc1cc(CNc2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409180753 ZTNHPHWGGIGJKQ-UHFFFAOYSA-N 429.816 5.569 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2217007 PVPBKWFZLDEKGP-UHFFFAOYSA-N 443.938 5.751 5 40 IKBB Brc1ccc(Cn2c3ccccc3c3ccc4cc5ccccc5nc4c32)cc1 8762624 PATDCTBCEACWPN-UHFFFAOYSA-N 437.340 7.307 5 40 IKBB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 11617442 UOUUCKRNMQQIMS-UHFFFAOYSA-N 438.690 5.387 5 40 IKBB COc1cc2c(cc1C)-c1nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc1CC2 409051947 OUJHOIHNUHMMAI-UHFFFAOYSA-N 429.885 5.040 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 409182965 PSLPFWVCTOSLRG-UHFFFAOYSA-N 428.238 5.507 5 40 IKBB Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13686319 NQCKOJCFNDCURS-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 14170522 RSFLNIBPQSKXKC-FQEVSTJZSA-N 433.895 5.220 5 40 IKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C 17096467 MWNDQIQGNCZKAD-UHFFFAOYSA-N 429.480 5.321 5 40 IKBB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 33650536 HFFCDRSYGJQDGC-SNAWJCMRSA-N 431.055 5.177 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)C 224235477 ZOBNOXFNLXBJFH-UHFFFAOYSA-N 434.492 5.867 5 40 IKBB O=C(c1ccccc1)c1ccc(Sc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 2644927 RKZJLKFBNTYDKO-UHFFFAOYSA-N 438.814 6.044 5 40 IKBB COc1ccc(-c2cnc3c4ccc(OC)c(OC)c4c(=O)n4c5ccccc5c2c34)cc1 8792118 QJPJQRUSXQTNQI-UHFFFAOYSA-N 436.467 5.285 5 40 IKBB biogenic Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 59294131 XPCQMGXWXYGCKB-VQHVLOKHSA-N 427.800 5.377 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1C 224615383 VQLJTLPXKQBWGG-UHFFFAOYSA-N 448.519 6.058 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1C 408693684 BVCUZBOMBGFIMA-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB Cc1cc2c(cc1C)N1[C@H](C(c3ccc(OC(F)F)cc3)=N2)[C@@H]1c1ccc([N+](=O)[O-])cc1 16740802 PKCRTIILKUFSJZ-SYDXZMBCSA-N 435.430 5.877 5 40 IKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H](C)n5nc(C(F)F)cc5C)nc34)c12 22527896 XWPPEGHHWSIZTJ-VIFPVBQESA-N 449.437 5.185 5 40 IKBB Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccccc1 843993 NJTQVWVRWUUVAR-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2313223 NRSYWPWPELXMET-UHFFFAOYSA-N 439.563 5.485 5 40 IKBB O=C(c1ccc(F)c([N+](=O)[O-])c1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 13149265 NOAUNLYFWSAZMH-UHFFFAOYSA-N 427.844 5.976 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3CCC[C@H](C)O3)c21 90735024 SSGFYNWIMJIWJN-XOBRGWDASA-N 446.499 6.095 5 40 IKBB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 101325333 IYQRINZMRPWVHZ-UHFFFAOYSA-N 436.423 5.774 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(Cl)c1 224494047 WWMYGRBHUVXRAM-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408552453 IPTQWEDUPWZJDA-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc1 408826177 KWCVCQGFSKMHNQ-UHFFFAOYSA-N 443.528 6.563 5 40 IKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409171775 GSWUJBYIENWTFL-MTJSOVHGSA-N 434.473 5.708 5 40 IKBB O=C(Nc1ccc(Br)cc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409257848 QSLPJRHHRLABJQ-LDADJPATSA-N 441.256 5.676 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2413208 ZZBMJTWPJJUGQX-UHFFFAOYSA-N 431.927 5.292 5 40 IKBB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1cccc([N+](=O)[O-])c1 12618602 NGQZNFSCFIBMGR-UHFFFAOYSA-N 441.321 5.298 5 40 IKBB O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 14170520 RSFLNIBPQSKXKC-HXUWFJFHSA-N 433.895 5.220 5 40 IKBB Cc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 15304096 QVDHFZIGJYCPOR-UHFFFAOYSA-N 430.489 5.126 5 40 IKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 222382755 PTDYKQAKYRDLHK-LIOHBJMPSA-N 448.478 5.018 5 40 IKBB CCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1Br 315636341 YKRRLASCDLDGMK-UHFFFAOYSA-N 430.096 5.131 5 40 IKBB Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408618788 GPUMCFFHGXAXGP-UHFFFAOYSA-N 435.661 5.831 5 40 IKBB COc1ccccc1[C@@H]1[C@H](Oc2ccc(Cl)cc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 1083552 WFZSLASDQDHKAR-YADHBBJMSA-N 438.867 5.101 5 40 IKBB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064643 NGHGOFKRACKFPD-MRXNPFEDSA-N 440.569 5.225 5 40 IKBB CCCC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(CCC)n3c4ccccc4nc3c12 9243189 KWBNFHZJNXCQLT-UHFFFAOYSA-N 440.547 6.101 5 40 IKBB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 9445954 QIVUZPSPWANHJG-UHFFFAOYSA-N 431.879 6.278 5 40 IKBB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 19325608 JHJYKSSYLCJMGP-UHFFFAOYSA-N 447.535 5.019 5 40 IKBB Cc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c1C 32810205 PHUICTCHNCCEQP-UHFFFAOYSA-N 433.489 5.506 5 40 IKBB CC(C)(C)C1CCC(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 36611234 LKTWZFOVFBYHRB-UHFFFAOYSA-N 444.959 6.162 5 40 IKBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1 408534794 WSZFLSXBEDUMGH-UHFFFAOYSA-N 431.835 5.591 5 40 IKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408577063 YNGBPKXQUSRQLR-OAQYLSRUSA-N 426.542 5.208 5 40 IKBB O=C(O)/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nc2ccccc2o1 408635302 YVONIOYYPRBJKD-BKUYFWCQSA-N 448.456 5.533 5 40 IKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 409182274 JRLGWZHJVDTEBZ-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB COc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 16216069 VUCBAECIWNLEOF-SGEDCAFJSA-N 434.520 7.104 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc2ccccc2c1 224643942 ZEZUAYPDICBRQU-UHFFFAOYSA-N 442.471 5.978 5 40 IKBB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2sc3nc4ccccc4nc3c2c1 408975787 NMLGXGLEZRYHIG-UHFFFAOYSA-N 440.528 5.087 5 40 IKBB O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1312758 PEJSDYMAGAFUFU-UHFFFAOYSA-N 440.249 5.064 5 40 IKBB COc1ccccc1N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc2ccccc2s1 12569511 BTFCZDSPLALAPS-UHFFFAOYSA-N 435.461 5.200 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 13400304 NMEDMNRAPXQBKI-UHFFFAOYSA-N 436.518 5.306 5 40 IKBB Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4cccc([N+](=O)[O-])c4)s3)cc2)cc1 409179989 SMONAWWHFMMHFD-UHFFFAOYSA-N 445.500 5.858 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 409205632 IWYWSQTZSGJAPG-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB CC1(C)C[C@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2N1C(=O)c1ccccc1 2260834 CRJJBNGHCQVOFP-RUZDIDTESA-N 445.475 5.638 5 40 IKBB CCCCc1nc2sc3c(ncn4c(SCc5ccccc5)nnc34)c2c2c1CCC2 8741240 AJEMDDAYGDUORI-UHFFFAOYSA-N 445.617 6.011 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 12428878 OXBRDWNSIUZJKN-UHFFFAOYSA-N 436.773 6.312 5 40 IKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225758114 SJUIYJFZLVJDJV-LJQANCHMSA-N 446.547 6.766 5 40 IKBB CC(C)(C)c1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)OCO3)cc1 226762705 IQNOWZKOFSKMTP-JOCHJYFZSA-N 446.503 6.047 5 40 IKBB CCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409270418 FTFLLVYLCXITSF-PTGBLXJZSA-N 443.503 5.304 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)cc(C)c4)cnc32)cc1 2358184 PMHQVNKMOYBMKZ-UHFFFAOYSA-N 431.499 5.198 5 40 IKBB CC[C@@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2436539 FMEODAKWBUZHNO-GOSISDBHSA-N 439.563 5.843 5 40 IKBB COc1ccc(CNc2nc(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 2948815 NTMSHEQRUFQLNW-UHFFFAOYSA-N 432.505 5.451 5 40 IKBB CCC(=O)Oc1cn(CCc2ccc(Cl)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871201 DWVNLFUAIBHYRS-UHFFFAOYSA-N 446.938 5.611 5 40 IKBB O=[N+]([O-])c1ccc2oc(SCc3nc4ccc(Cl)cn4c3Br)nc2c1 26442513 DRPUSMJHOQTNBM-UHFFFAOYSA-N 439.678 5.092 5 40 IKBB COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c(OC)c1 79475769 GZVWATYDFHQMSX-UHFFFAOYSA-N 433.464 5.315 5 40 IKBB Cn1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cn1 79488338 OFMXTDGOTDAMFP-UHFFFAOYSA-N 431.496 5.016 5 40 IKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 1994667 XQSZMTUQHGPWRL-UHFFFAOYSA-N 449.677 6.038 5 40 IKBB Cc1c(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cccc1[N+](=O)[O-] 3355503 IYLOFJKGZYKBPP-UHFFFAOYSA-N 445.500 5.956 5 40 IKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c(Cl)c1 8855105 YAESTVNAHMOUAM-UHFFFAOYSA-N 435.336 5.352 5 40 IKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc2c1OCCO2 96114904 LODQOGRBNZRRHY-UHFFFAOYSA-N 431.448 5.064 5 40 IKBB biogenic Cc1cc(C)c2nc3sc4c(S[C@@H]5Cc6ccccc6C5=O)ncnc4c3cc2c1 1327872 FIXNXCOIKCHNOG-GOSISDBHSA-N 427.554 5.909 5 40 IKBB O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1[N+](=O)[O-] 3269091 BFWALJGAZVTDJV-IBGZPJMESA-N 444.365 5.150 5 40 IKBB O=c1c2ccccc2n(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12 4017939 QGLBRIJXYZJINR-RUZDIDTESA-N 448.566 5.218 5 40 IKBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3ccc(C)o3)c([N+](=O)[O-])c2)c(C)c1 8746732 SFVSKQSDGSQOOQ-MRXNPFEDSA-N 429.498 5.087 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(N1CCCCC1)cc1oc3cc(Cl)ccc3[nH]c12 9045110 JKWVBHFHPGFQBA-UHFFFAOYSA-N 430.891 5.585 5 40 IKBB CCC(=O)Oc1cn(-c2ccc(OC)c(Cl)c2)c2nc(CC)n3c4ccccc4nc3c12 9124241 QCCVAZZRANZYTE-UHFFFAOYSA-N 448.910 5.366 5 40 IKBB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 11250488 SYOGEKDARFXLBB-UHFFFAOYSA-N 425.315 5.120 5 40 IKBB O=[N+]([O-])c1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 102674709 DLVOZPRASBWAKG-FQEVSTJZSA-N 433.493 5.150 5 40 IKBB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225565295 LACWAHFTIFNFCP-SFHVURJKSA-N 426.513 5.076 5 40 IKBB COc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408823607 NZPNAWQMLAQVBP-UHFFFAOYSA-N 432.461 5.041 5 40 IKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2426555 BNAXNXYMWHVMHA-UHFFFAOYSA-N 435.890 5.122 5 40 IKBB CC(=O)Sc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 3245172 VOETWLGTQDUTEF-UHFFFAOYSA-N 430.489 5.830 5 40 IKBB Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 14273060 JVVDHZLQEXKVFL-UHFFFAOYSA-N 449.850 5.807 5 40 IKBB CCOc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 16691482 YUVFKKYXZVAABH-ZIADKAODSA-N 431.495 6.760 5 40 IKBB O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl 25782799 OUJSBPXCOCNVOQ-SIKLNZKXSA-N 440.286 6.144 5 40 IKBB COc1ccc([C@@H](Nc2ccc(N)c([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 65090437 CUNMYKRVYKXTTA-FQEVSTJZSA-N 437.433 5.339 5 40 IKBB Cc1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cnn1C 79480862 MGSUQWZWNCLRFV-UHFFFAOYSA-N 431.496 5.346 5 40 IKBB CCOc1cc(-c2ccc(OC)cc2)c(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(C)oc(C)c12 98086990 DDISFIZJYWAVGW-UHFFFAOYSA-N 445.471 6.059 5 40 IKBB Cc1ccc(Oc2ccc(COC(=O)Nc3cc(Cl)cc(Cl)c3)cc2[N+](=O)[O-])cc1 3105635 CQUVLRGVFNFEIM-UHFFFAOYSA-N 447.274 6.751 5 40 IKBB O=C(CSCc1cccc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9155360 BNTSMBWQGIGPBY-QGZVFWFLSA-N 443.575 5.329 5 40 IKBB O=[N+]([O-])c1cc(Sc2ccccc2)c2c(Cl)c(-c3ccc(Cl)cc3)sc2c1 15084464 OMDXMBRUZPXHCR-UHFFFAOYSA-N 432.353 7.935 5 40 IKBB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c1 408696303 ZMNRDWKLLOCMKE-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CC(C)c1nc2sc3c(ncn4c(SCc5ccccc5)nnc34)c2c2c1CCCC2 1254190 VLFQACDKILPSLI-UHFFFAOYSA-N 445.617 6.182 5 40 IKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 3146364 CPDNSCGGJZBRTA-UHFFFAOYSA-N 426.428 6.432 5 40 IKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)cc([N+](=O)[O-])c1 6143778 GZPOSVYYSFRINV-UHFFFAOYSA-N 446.810 5.106 5 40 IKBB CCC(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871225 QZPGMOFTKIYZAM-UHFFFAOYSA-N 432.911 5.417 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(NC1CCCCC1)cc1oc3cc(Cl)ccc3[nH]c12 9335042 ZGWPFLDNIZCRMZ-UHFFFAOYSA-N 444.918 6.339 5 40 IKBB biogenic COc1cc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c(C)cc1[N+](=O)[O-] 9442350 NEKIHXBTEWAYAZ-UHFFFAOYSA-N 449.488 5.206 5 40 IKBB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 9518407 AFFGXDXWKGGDNK-UHFFFAOYSA-N 429.432 5.462 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372863 GSVNZWTWZZZRDC-UHFFFAOYSA-N 447.457 5.664 5 40 IKBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1-c1ccccc1 13896553 QCBHKJLIZMQZGQ-UHFFFAOYSA-N 436.423 5.855 5 40 IKBB O=C1c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 408534841 RLOJHINWAHUCMY-UHFFFAOYSA-N 437.455 5.302 5 40 IKBB COc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408827091 CHUQNKREGVGLBL-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-] 13389658 YOTCXJDWZLPYCM-UHFFFAOYSA-N 430.489 5.244 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Cl)cc1 59459838 JWPJDQDABZSUMU-WQRHYEAKSA-N 426.837 5.749 5 40 IKBB CC1CCN(Cc2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2C(C)C)CC1 65322315 MCBDAQZZYMOICH-UHFFFAOYSA-N 435.528 5.010 5 40 IKBB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 224920651 LRWZHTZCZMQARN-UHFFFAOYSA-N 429.432 5.568 5 40 IKBB CCCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409341802 FSRVSSWZJLFYAC-BOPFTXTBSA-N 434.926 5.846 5 40 IKBB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 9367854 VLEAZIBPQSXKMN-UHFFFAOYSA-N 449.469 5.292 5 40 IKBB O=[N+]([O-])c1ccc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3[nH]2)cc1 12551384 YANGIXJUBLIFRS-UHFFFAOYSA-N 426.392 5.103 5 40 IKBB Clc1cccc(-c2nc(-c3c4ccccc4cc4ccccc34)[nH]c2-c2ccccc2)c1 13564542 CVSYAWJEJYWJRJ-UHFFFAOYSA-N 430.938 8.371 5 40 IKBB COc1cccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3cccc(OC)c3)c2C)c1 13960463 JNEKVGYXARALDQ-UHFFFAOYSA-N 429.476 5.499 5 40 IKBB Cc1cc2c(cc1C)N1[C@@H](C(c3ccc(OC(F)F)cc3)=N2)[C@H]1c1ccc([N+](=O)[O-])cc1 16740801 PKCRTIILKUFSJZ-UNFSCDGZSA-N 435.430 5.877 5 40 IKBB COc1ccccc1[C@H]1[C@H](Oc2ccc(Cl)cc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 1083554 WFZSLASDQDHKAR-VXKWHMMOSA-N 438.867 5.101 5 40 IKBB Cc1csc2nc(CSc3nc4cc([N+](=O)[O-])ccc4s3)c(Br)n12 8817434 IDJLDBSQEIRDMR-UHFFFAOYSA-N 441.357 5.277 5 40 IKBB Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc([N+](=O)[O-])cc4Cl)OC3=O)cc2)cc1 8990018 JEFOPOKNXMQEET-UUYOSTAYSA-N 448.862 5.480 5 40 IKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408542118 HEUZIZWNIHWXQZ-OWBHPGMISA-N 430.460 6.193 5 40 IKBB O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1c(F)ccc([N+](=O)[O-])c1F 2380607 LNFLCDKMEVZBIT-UHFFFAOYSA-N 439.201 6.224 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2439854 PJISCFNTZCYXGP-UHFFFAOYSA-N 449.917 5.431 5 40 IKBB CC(C)Oc1cc2c(cc1[N+](=O)[O-])C=C[C@]1(O2)N(c2ccccc2)c2ccccc2C1(C)C 6076998 GWZXBYSBFSTMAA-HHHXNRCGSA-N 442.515 6.613 5 40 IKBB O=C(Nc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)s1)c1ccco1 23576163 OCRBKSATUHLOPU-UHFFFAOYSA-N 445.452 5.210 5 40 IKBB Cc1ccc(C(=O)c2c3nc(C)n4c5cc([N+](=O)[O-])ccc5nc4c3c3ccccn23)cc1 31848403 CEODIUDXLQOXKS-UHFFFAOYSA-N 435.443 5.044 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 409179637 QUXSLADHOPEXBU-HXUWFJFHSA-N 430.243 5.683 5 40 IKBB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 13112805 MITCULSIGPPKIV-ZDUSSCGKSA-N 436.518 5.386 5 40 IKBB C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 21595347 AVHCHBOEIVSDJJ-ZWFBASDOSA-N 431.492 5.886 5 40 IKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924490 ZXXFCWKZWDSLFU-OOAPZQTCSA-N 431.661 6.644 5 40 IKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 222382973 RMGFKDJQJHLHGE-JPMIEVGJSA-N 448.478 5.018 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032624 AMBKQDYQHVDREW-VXKWHMMOSA-N 434.521 5.165 5 40 IKBB S=C(Nc1cccnc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975232 KVZXWFIVUJDEDU-UHFFFAOYSA-N 433.500 5.083 5 40 IKBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C(C)(C)C)cc1 13668891 GOEAKJDFOLXTQU-YSRPOPIVSA-N 428.532 6.310 5 40 IKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 408569545 JMHXOAPCSKZTHB-KRWDZBQOSA-N 439.324 5.001 5 40 IKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 19894092 OWCNVQDOYNJYRW-UHFFFAOYSA-N 432.219 5.864 5 40 IKBB CCC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C 409176652 UIBIWMPZCKPGTJ-XMMPIXPASA-N 446.459 5.033 5 40 IKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 409178698 MSZRPULEAMYHTK-UHFFFAOYSA-N 442.265 5.293 5 40 IKBB O=c1c2c3c(sc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)CCC3 3306381 QPUMFSUKFOJLBE-UHFFFAOYSA-N 449.557 5.196 5 40 IKBB Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)cc1 9234803 OLISBJQQXMZLQM-UHFFFAOYSA-N 436.493 5.007 5 40 IKBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc2oc3c(c2c1)CCCC3 13098839 JPPXFEDLLPJFLO-UHFFFAOYSA-N 441.383 5.306 5 40 IKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 17098202 KEPWLDQALNAKKW-DHZHZOJOSA-N 432.867 5.752 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1nc2ccccc2o1 408634992 WFMUSCAEJGHXMA-ZDLGFXPLSA-N 426.381 5.353 5 40 IKBB O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@H](C(O)(c1cccs1)c1cccs1)C2 1300326 BWKWVFKCAVGFRY-WHEQYPTASA-N 441.598 5.011 5 40 IKBB CC(C)(C[N+](C)(C)Cc1ccccc1)C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 1700908 FVYLBTWGYMJLKX-UHFFFAOYSA-N 442.623 6.451 5 40 IKBB O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Oc2ccccc2)cc1 3144053 JRUUJOBTGBSRBS-UHFFFAOYSA-N 435.439 5.753 5 40 IKBB CCCC1=C(C(=O)OCC)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 13634951 JFHMKNQSBJYEPZ-FQEVSTJZSA-N 440.887 5.230 5 40 IKBB CCOc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 16691484 KBMGLBQFARHCSH-OHYPFYFLSA-N 448.547 7.494 5 40 IKBB Cc1ccc(COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 408609870 PFTSDZWWMINFDP-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB CCOc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408974948 GLHZJDONOCJWTP-UHFFFAOYSA-N 445.482 5.530 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 408992679 AWJQBXWGKHPFBG-BOACMQGQSA-N 442.518 7.372 5 40 IKBB Cc1cc(C)cc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(C)c2)c1 2375338 PECJRJOHFAZQAH-UHFFFAOYSA-N 431.499 5.198 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3c4ccccc4nc(SCc4ccc(F)cc4)n3n2)c1 2969061 KQFNNKPDRMTCFR-UHFFFAOYSA-N 431.452 5.284 5 40 IKBB CCC[C@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@@H](CC)c1ccccc1 4900988 OICXZJZJTBTPPS-NVQXNPDNSA-N 432.520 7.033 5 40 IKBB COc1ccc2c(c1OC)[C@H](Cc1ccccc1)[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4 5385104 OWDRKYQBSBCOIW-AYVJMEFPSA-N 444.551 5.016 5 40 IKBB O=[N+]([O-])c1ccc2sc(/C=C/c3cn(Cc4ccccc4)nc3-c3cccs3)nc2c1 16044950 GYEZHMMUQOCSDO-DHZHZOJOSA-N 444.541 6.348 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2ccc3ccccc3c2)cs1 17099754 FOAZIPINNRVYHA-UXBLZVDNSA-N 435.892 6.177 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)cnc32)cc1C 2194201 CZLNMAGJADLBJY-LJQANCHMSA-N 445.526 5.510 5 40 IKBB O=C(COc1ccccc1)Oc1ccc(Sc2ccccc2[N+](=O)[O-])c2ccccc12 3191245 VOHALOHJELCTBL-UHFFFAOYSA-N 431.469 5.884 5 40 IKBB Cc1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1[N+](=O)[O-] 3358779 XNHDUSFHOWPEDP-UHFFFAOYSA-N 444.443 5.003 5 40 IKBB CNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccccc2F)cc1[N+](=O)[O-] 8846707 LCFAKRUTPSVTOF-UHFFFAOYSA-N 449.360 5.839 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccccc1 302916833 NYNJSKKYVGBCCP-UHFFFAOYSA-N 443.410 5.408 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 409384735 CZJBDKYYPVONEQ-UHFFFAOYSA-N 449.410 5.054 5 40 IKBB COc1ccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)c3c(C)oc(C)c3c(=O)c2)cc1 1106320 OKFUSQYZAJYYSE-UHFFFAOYSA-N 445.427 5.213 5 40 IKBB biogenic CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1946321 GQGHKEZQQPOZMV-UHFFFAOYSA-N 438.505 5.678 5 40 IKBB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1O 9138083 FIFYVLPHYKYELW-UHFFFAOYSA-N 432.432 5.518 5 40 IKBB biogenic CCOc1ccc(N=[P@](Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)c([N+](=O)[O-])c1 12575466 DOYMDJXWTUMDKK-HKBQPEDESA-N 442.452 6.846 5 40 IKBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140531 GTTGARWTLWYUSJ-UHFFFAOYSA-N 438.823 5.513 5 40 IKBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2355112 QQADEHUWQYZOHN-UHFFFAOYSA-N 433.851 5.019 5 40 IKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 8919438 DZFADAFJWCEZKP-FMIVXFBMSA-N 431.473 5.532 5 40 IKBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])c1 13524834 ASLYVOAAZNNBSE-UHFFFAOYSA-N 440.477 5.317 5 40 IKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 9850662 AIANXENESGMECG-UHFFFAOYSA-N 439.427 5.574 5 40 IKBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C(C)(C)C)cc1 13668890 GOEAKJDFOLXTQU-VWBBVOOFSA-N 428.532 6.310 5 40 IKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408561951 LYKQJFULIGCWCB-GYHWCHFESA-N 443.956 5.718 5 40 IKBB CC(C)(C)[P@](=NC(=O)c1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCCCC1 5496474 CWDYWUHYMVBQKU-PMERELPUSA-N 428.473 5.246 5 40 IKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 6150817 GGHZWKWPUOVVID-UHFFFAOYSA-N 439.563 5.509 5 40 IKBB O=[N+]([O-])c1cc(Cn2c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc3ccccc32)ccc1Cl 16545229 WJYUXTLIAOEOFI-UHFFFAOYSA-N 443.246 5.875 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 17096460 KVWUMBYQIXPSCC-HNNXBMFYSA-N 429.476 6.477 5 40 IKBB C[C@H]1C[C@@H](C)C[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 36631447 ADAOHCAHEMYLFX-RVNSZOHOSA-N 430.612 5.786 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)c(C)c1 224626162 YZSJIFWHSDHVJE-UHFFFAOYSA-N 434.492 5.750 5 40 IKBB O=C(CSc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12568996 XPWWAXRMZDMIQL-UHFFFAOYSA-N 425.215 5.651 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 17096454 LQTKDINVZZVORE-OAHLLOKOSA-N 429.476 6.477 5 40 IKBB CC(C)c1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1[N+](=O)[O-] 20988097 QYCLHSIGVQWXFO-NTEUORMPSA-N 429.398 5.391 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccccc1Cl 2434699 CIEDOMFTSYGXAV-UHFFFAOYSA-N 431.927 5.292 5 40 IKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 17099211 WJDXUZSBLQKJOX-WEVVVXLNSA-N 434.839 5.412 5 40 IKBB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)c4cccc([N+](=O)[O-])c4)cc3)o2)c1 25836337 KPSHCQAIVXNWFH-QGZVFWFLSA-N 442.475 5.453 5 40 IKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)Nc2ccccc2F)ncnc13 35313596 KDXLQIOQHFRRIW-UHFFFAOYSA-N 434.521 5.571 5 40 IKBB Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C)CO1 78877577 VGXGAZSXCFVTAA-QRQCRPRQSA-N 440.883 5.419 5 40 IKBB CCCCCOc1ccccc1Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 2223223 MZMIKASOUHVNNW-UHFFFAOYSA-N 425.532 6.364 5 40 IKBB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc([N+](=O)[O-])cc4)c23)CO1 2265637 ACMHZVGYHCICRR-HXUWFJFHSA-N 447.607 5.855 5 40 IKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128268 MOTNWTZFQIMQBS-UHFFFAOYSA-N 427.240 6.147 5 40 IKBB CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 3860707 CVAVMIODJQHEEH-UHFFFAOYSA-O 443.567 5.561 5 40 IKBB endogenous,in-man COc1cccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3cccc(OC)c3)c2Cl)c1 22529007 HFIOPNINLXNDRT-UHFFFAOYSA-N 449.894 5.844 5 40 IKBB COc1cc(OC)cc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)c1 9010230 ZVWNQHUIGMJVMU-UHFFFAOYSA-N 431.448 5.345 5 40 IKBB CC1CCN(c2ccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 13127610 AFDJGMRGXLWYBA-MRXNPFEDSA-N 438.553 5.274 5 40 IKBB CC(C)CCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 2251113 JTTYSMALANAHOW-UHFFFAOYSA-N 431.927 5.042 5 40 IKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2OC)cc1 3298853 SMFQSSPRGWXTSN-UHFFFAOYSA-N 448.504 5.152 5 40 IKBB COc1ccccc1[C@@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1c1cc(C)on1 9510746 LMYQUNLKPMIVAM-JOCHJYFZSA-N 438.439 5.001 5 40 IKBB COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)C 71789619 GDEJJIBIBXNGSB-UHFFFAOYSA-N 426.509 5.559 5 40 IKBB biogenic CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408544501 UHVLWHPWENEPSF-UITAMQMPSA-N 449.290 6.346 5 40 IKBB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 408580937 FIRBYFSNWDSHFS-UHFFFAOYSA-N 428.901 5.053 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(C)c2)cc1 408693585 AKUMUWJVEGTHSY-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB Cc1ccc(N2C(=O)c3cccc4c(Oc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)c(C)c1 819762 REPFASMMZKKVFC-UHFFFAOYSA-N 438.439 5.958 5 40 IKBB Cc1cc(C)cc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(C)cc(C)c2)c1 2377572 AUZAKVWOLFZUSZ-UHFFFAOYSA-N 445.526 5.506 5 40 IKBB CCCC(=O)Oc1cn(C2CCCCCC2)c2nc(CCC)n3c4ccccc4nc3c12 9242913 UFRDABGUJCOTJB-UHFFFAOYSA-N 432.568 6.391 5 40 IKBB CC(C)c1ccc(-c2csc(NC(=O)CCn3cnc([N+](=O)[O-])c3)n2)c(C(C)C)c1 12525449 FEMDTWROPIHSKH-UHFFFAOYSA-N 427.530 5.190 5 40 IKBB Cc1c(C(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cccc1[N+](=O)[O-] 13892840 VSOUXYOKANTCDL-SANMLTNESA-N 448.950 6.692 5 40 IKBB Cc1nn(Cc2cccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c2)c(C)c1[N+](=O)[O-] 652914 GEXQHANSLSIWMD-INIZCTEOSA-N 434.540 5.245 5 40 IKBB Cc1cccc2c1N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 59428145 WEOCIIHCJBMKRA-UHFFFAOYSA-N 442.587 6.247 5 40 IKBB CCCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 3769596 VHERHQXRIITIGA-DEDYPNTBSA-N 442.493 5.019 5 40 IKBB CN1CCCCCCCC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCCC1 4975029 JJVMBEGWPHWXJD-HSZRJFAPSA-N 432.561 5.316 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc12 10010630 KFTUNUOQQWAMDC-UHFFFAOYSA-N 429.841 5.379 5 40 IKBB C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2-c2nc3ccccc3s2)C1 11847395 OQTFRTNUWODVAV-LLVKDONJSA-N 439.518 5.903 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(F)cc1 408560548 DEWVWMMGFZCHCX-FLFQWRMESA-N 447.919 5.631 5 40 IKBB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])cc1 9329060 MLZSPEFFKGYXRC-MDWZMJQESA-N 433.851 5.126 5 40 IKBB COc1ccc([C@H](Nc2ccc(N)c([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 65090438 CUNMYKRVYKXTTA-HXUWFJFHSA-N 437.433 5.339 5 40 IKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 12375834 XDONWYFTIWECGU-VHXPQNKSSA-N 431.473 5.134 5 40 IKBB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc([N+](=O)[O-])o4)C3=C(O)C2)cc1 100429194 LCZUKGLXFDKHQR-OYLFLEFRSA-N 431.448 5.825 5 40 IKBB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCNc2ccccc2[N+](=O)[O-])cc1 101375725 OPURHTXMGMXARC-LCUIJRPUSA-N 430.533 5.778 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1OC 224582148 GAKPOVVGXMJFAR-UHFFFAOYSA-N 436.464 5.142 5 40 IKBB Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1Cl 409122446 YWPZZDOLNHHHLN-UHFFFAOYSA-N 436.817 6.980 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2Cl)o1 2063498 MZVDFGVUPBOFBS-UHFFFAOYSA-N 436.198 6.122 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1cccs1 2420521 YFYOUEKCRRYVNC-UHFFFAOYSA-N 431.565 5.293 5 40 IKBB C[C@@H](NC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)c1cccc(-n2cccc2)c1 13959920 BFHSLKJYBWIBRL-LJQANCHMSA-N 441.487 5.456 5 40 IKBB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)c([N+](=O)[O-])c4)cc3)c2O1 15881180 PLIJPABOKGDHLA-UHFFFAOYSA-N 436.439 5.279 5 40 IKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 20610559 UNKWRFQJWBGEGS-UHFFFAOYSA-N 435.871 5.358 5 40 IKBB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 101999002 FGYNPILCNFELSI-RUZDIDTESA-N 447.535 6.433 5 40 IKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215021383 BKEAKNLGELQACJ-HYARGMPZSA-N 446.484 5.410 5 40 IKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408613738 ZUYZKZHPCIAENE-UHFFFAOYSA-N 443.843 5.356 5 40 IKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 408814633 VWLPDZGBKGTHSK-UHFFFAOYSA-N 440.888 5.580 5 40 IKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4ccc5c(c4)n(C)c(=O)n5C)[nH]c3c21 1547206398 WAPYVBKYUXREEX-UHFFFAOYSA-N 446.510 6.090 5 40 IKBB biogenic CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C 898877 KBYGDDIVKQDFGQ-MZNJEOGPSA-N 429.476 5.128 5 40 IKBB COc1cc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc(OC)c1OC 946884 UTMOPRANHCQYFM-IBGZPJMESA-N 432.476 5.269 5 40 IKBB Cc1ccc(C(=O)[C@@H]2CN(C)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 13399260 AHPXALHRXWQXDF-SDHSZQHLSA-N 442.515 5.196 5 40 IKBB CC(C)c1ccc([C@@H]2N[C@H](c3ccc(C(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 13581851 BVCSLKXDQKWPKT-UEQSERJNSA-N 439.556 5.636 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nc2ccccc2o1 408634096 OWZLXCMPSDUXNL-ZDLGFXPLSA-N 442.836 5.867 5 40 IKBB Cc1nc2c3c4c(sc3n3c(SCCCc5ccccc5)nnc3n2n1)CC[C@H](C)C4 9307196 OUZVUDPOIAZSCT-AWEZNQCLSA-N 448.621 5.145 5 40 IKBB O=C(Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1)c1ccccc1[N+](=O)[O-] 16742249 PNDOHZPAHILBIW-UHFFFAOYSA-N 427.821 5.302 5 40 IKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225757995 PXXDLWUBNIBKOQ-UHFFFAOYSA-N 432.520 6.377 5 40 IKBB CCC(C)(C)[C@@H]1CC[C@@H]2Oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@H]2C1 6142737 KLOIUKFRCWQAQR-JJXUHFIVSA-N 444.553 5.477 5 40 IKBB Cc1csc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 8880795 RKBQLRCLDWJUJW-UHFFFAOYSA-N 439.440 5.782 5 40 IKBB C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 96002269 YPNIIVKQXPNZOE-HCEDEFRUSA-N 442.519 5.481 5 40 IKBB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4cccc([N+](=O)[O-])c4)cs2)[C@H]3CCC1 96191686 BOIXCWYUJSGULY-QFIPXVFZSA-N 430.533 5.879 5 40 IKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225758177 SFHHDSCXEPHDLU-UHFFFAOYSA-N 446.547 6.623 5 40 IKBB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 408916485 DEQZINBMQUEUET-CIAFOILYSA-N 448.456 5.294 5 40 IKBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 1789053 VVRGLDDAAUKFJT-UDWIEESQSA-N 434.835 5.172 5 40 IKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2250846 PSXOQMRCPZTPDN-UHFFFAOYSA-N 429.911 5.361 5 40 IKBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 17096289 JWHXLXFZTYZBNK-UHFFFAOYSA-N 429.219 5.357 5 40 IKBB O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907827 SWFQQXKESQDEPZ-LGUFXXKBSA-N 436.467 6.566 5 40 IKBB O=[N+]([O-])c1ccc(O)c(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 9110084 ZNKBBGNUASQZSJ-UHFFFAOYSA-N 426.259 6.331 5 40 IKBB Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 10128898 UEWJGVRRLZFOEB-FMIVXFBMSA-N 426.428 5.329 5 40 IKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 17098303 MXLHSSKHVJZEBQ-WEVVVXLNSA-N 433.247 5.822 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223123467 LYZKQLSAOFDQSB-PKTZIBPZSA-N 448.548 5.555 5 40 IKBB Cn1c(-c2ccccc2)c([C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)c2ccccc21 3196131 COGOJXSLRROWMS-LJQANCHMSA-N 425.315 6.561 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc([N+](=O)[O-])cc1 4256820 WUHXBJRVZSUSBP-WUXMJOGZSA-N 438.270 5.771 5 40 IKBB COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1OC 9130805 DCCHKKIIKUFMEE-UHFFFAOYSA-N 448.504 5.152 5 40 IKBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccc(Cl)cc1Cl)n1c3ccccc3nc21 9327949 KMZGIVUMISWDON-UHFFFAOYSA-N 445.309 5.861 5 40 IKBB O=[N+]([O-])c1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)ccc1Br 17138651 WXGNELZJIZTGOU-UHFFFAOYSA-N 426.295 6.143 5 40 IKBB O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl 33629965 HXDFHQDMOGRJRZ-UHFFFAOYSA-N 426.306 5.243 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl 106712612 MQVFFELNJASKRA-CHHVJCJISA-N 443.695 5.792 5 40 IKBB Cc1cccc(CSc2cn(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 9391909 ZJEJHWJRMROTRJ-UHFFFAOYSA-N 445.544 5.580 5 40 IKBB CS(=O)(=O)c1ccc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 9441432 JYOKFDSQSCACDZ-HXUWFJFHSA-N 433.938 5.533 5 40 IKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17101668 OZQRORVYVCPCCK-XBXARRHUSA-N 437.666 6.467 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181250 SHIPMSQTVFILIN-GOTSBHOMSA-N 442.500 5.427 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1 408633838 MJHPZNMMTLECTJ-ZDLGFXPLSA-N 441.852 5.602 5 40 IKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 2346019 RPCIZFWCANZTEJ-UHFFFAOYSA-N 434.260 6.024 5 40 IKBB Cc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc12 13388723 JVYONLQRALCZSI-UHFFFAOYSA-N 448.479 5.383 5 40 IKBB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108162164 OYZZDRTUJBYFHK-UHFFFAOYSA-N 435.383 5.000 5 40 IKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccccc1 408562102 MSVGVBAFSOEXES-LNVKXUELSA-N 429.929 5.492 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(Cl)c2C)cc1 408695058 OLIVGXKJFNJFQS-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 8448795 VOINASSNOMQOPW-UHFFFAOYSA-N 441.443 5.261 5 40 IKBB COc1cc(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc(OC)c1OC 14912683 WKGJDXUEBHDQLY-UHFFFAOYSA-N 441.487 5.227 5 40 IKBB Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=S)o2)c1 16769482 KDBGBXWXQVLYMW-UHFFFAOYSA-N 427.482 5.008 5 40 IKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 17097453 PFBQUDUFEQOHPX-UHFFFAOYSA-N 431.448 5.589 5 40 IKBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8831260 BMUYPRKUFGXQTD-INIZCTEOSA-N 440.569 5.225 5 40 IKBB COCCCCNc1cc2oc3cccc(C)c3[nH]c2c2c(=O)c3ccccc3c(=O)c12 9310949 SPWXNNSEUSYOAO-UHFFFAOYSA-N 428.488 5.088 5 40 IKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 9498609 XOTKBVXOGDDZAY-CYBMUJFWSA-N 444.846 5.469 5 40 IKBB CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 16574979 QEHSHMFPVBCCPQ-UHFFFAOYSA-N 434.448 5.339 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 19894512 VPYRVZSMZMGOPD-UHFFFAOYSA-N 437.502 5.708 5 40 IKBB Cc1cc2c3nc4ccccc4sc-3c(-c3cc(Cl)ccc3Cl)c(=O)c2cc1C 67300063 VSASBRCJCLNVRY-UHFFFAOYSA-N 436.363 7.505 5 40 IKBB Cc1ccc(-c2csc(=Nc3ccccc3)n2CCNc2ccccc2[N+](=O)[O-])cc1 584906147 OPURHTXMGMXARC-UHFFFAOYSA-N 430.533 5.778 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(C(=O)O)ccc2Cl)o1 20151023 XPLKFXISFCFMRA-WEVVVXLNSA-N 426.812 5.167 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c(C)c1 408696186 XLLTYCLBABRIDU-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 409337397 UJRLGRNFSALBKI-ZEOXDNFESA-N 443.297 5.383 5 40 IKBB Cc1ccc(C(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1[N+](=O)[O-] 3329645 WTJGCRHNWKWETA-UHFFFAOYSA-N 429.428 5.247 5 40 IKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 8832003 HGNROZRNBIJBQC-UXBLZVDNSA-N 447.878 6.325 5 40 IKBB O=[N+]([O-])c1ccc([C@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 9013285 JYJUCQHEYWFQIY-MHZLTWQESA-N 432.483 6.179 5 40 IKBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 59294117 WPYCMNGVERHANE-UHFFFAOYSA-N 444.919 5.085 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(C)cc1 224667760 WQTONQGMTIGCEZ-UHFFFAOYSA-N 436.533 6.155 5 40 IKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccccc1 408819183 ZYLURHYPYZPHRG-STZFKDTASA-N 432.457 5.415 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1-c1nc(O)c2ccccc2n1 409268456 ZYXXVXFEQGXOQN-UHFFFAOYSA-N 427.338 5.722 5 40 IKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C 215251494 CHCZXYDEZUAUBU-UDWIEESQSA-N 442.493 5.017 5 40 IKBB COc1c(Br)cc(Br)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 226237595 LSJATMYNLFEJFD-UHFFFAOYSA-N 442.063 5.245 5 40 IKBB CCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Br 315688522 SZBXWLGVKHPADR-UHFFFAOYSA-N 430.096 5.131 5 40 IKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1Cc3ccccc3[C@@H]21 408994897 HOYZKHHBFLHCFU-WWDWLDGVSA-N 441.530 7.162 5 40 IKBB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409234420 ZWFNVNYNJWRPEW-DEDYPNTBSA-N 442.493 5.019 5 40 IKBB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 3292515 HVVYIORPPJRLGV-UHFFFAOYSA-N 437.955 5.367 5 40 IKBB CC(C)(C)CC(C)(C)Cc1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 4806116 UPVAONICXMXXHO-UHFFFAOYSA-N 426.665 6.364 5 40 IKBB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CSC3)c1 9404474 LDLLXFLWJJVTIG-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB CC(C)Cc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 12778251 VGGCBJIXKXFOSN-GOSISDBHSA-N 435.524 5.601 5 40 IKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924487 ZXXFCWKZWDSLFU-KEDFQAJKSA-N 431.661 6.644 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 408604688 DUDQGYLCNFMCPM-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB Cc1ccc(CSCCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408923407 XIRFHMUZULDPPJ-JJIBRWJFSA-N 432.545 5.493 5 40 IKBB Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 409181930 GULLWDZXECVWKV-UHFFFAOYSA-N 448.475 5.466 5 40 IKBB Cc1cc(=O)oc2c(C3=Nc4ccccc4N[C@H](c4cccc([N+](=O)[O-])c4)C3)c(O)ccc12 688098 JJAZVRHJPMILFR-FQEVSTJZSA-N 441.443 5.393 5 40 IKBB CCC(=O)Oc1cn(CCc2ccccc2F)c2nc(CC)n3c4ccccc4nc3c12 9124075 TVGJRZAIXQOMPV-UHFFFAOYSA-N 430.483 5.097 5 40 IKBB Cc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 13946109 QDSGXHJIAFGDOM-JXMROGBWSA-N 433.851 6.017 5 40 IKBB Cc1cc(C)c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc(C)c2c1 14357842 SOUYUTYQEVIEST-UHFFFAOYSA-N 449.454 5.818 5 40 IKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1Cl 21595744 MGMKTCISGILDAU-UHFFFAOYSA-N 431.901 5.244 5 40 IKBB C[C@H](Sc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)c1cccc([N+](=O)[O-])c1 24271805 WLGFVAMABIFERY-NSHDSACASA-N 427.482 5.552 5 40 IKBB Cc1cc(Br)ccc1NCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 408613423 UCYNQHOEZWQDMW-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 2050957 DIKDGAVRNHSIQP-UHFFFAOYSA-N 429.480 5.232 5 40 IKBB O=C(Nc1cccc2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8397907 NLHHNUMTIRZZQZ-ULJHMMPZSA-N 437.455 5.158 5 40 IKBB aggregator Cc1ccccc1[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12554899 OCLQYLNYVOLPKL-OAHLLOKOSA-N 435.446 5.016 5 40 IKBB Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C 16779699 UAIRLLOASPCCGD-UHFFFAOYSA-N 429.476 5.730 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(=O)OC)C1 2084012 WLWHGPKMUQGFGK-OAHLLOKOSA-N 444.553 5.545 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)cnc32)cc1C 2194199 CZLNMAGJADLBJY-IBGZPJMESA-N 445.526 5.510 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2439470 WSVGLTTUPJZOEK-UHFFFAOYSA-N 431.927 5.292 5 40 IKBB CCc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2CC(C)C 5030688 PDHANNTVEYFYOX-UHFFFAOYSA-N 429.568 5.403 5 40 IKBB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nc4ccccc4c4ccccc34)cc12 13145639 GEXFBSDQPFSFJJ-UHFFFAOYSA-N 449.535 6.454 5 40 IKBB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 19629620 UPNOYJGDSYSORD-ZDUSSCGKSA-N 439.493 5.201 5 40 IKBB O=C1CS[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 408559233 YNQWWWHETTYFKC-JOCHJYFZSA-N 440.908 5.606 5 40 IKBB COc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409110777 YMGWBSARMCZVRL-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2264239 SDIMTZSKWTUEDD-UHFFFAOYSA-N 443.526 5.565 5 40 IKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)oc2cc1C 10120371 GONRKNSOLNWNIU-UHFFFAOYSA-N 435.867 5.603 5 40 IKBB O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(Cl)cc2c2c1CCC2 11866560 MNZLLAROCLGDIE-UHFFFAOYSA-N 425.746 5.654 5 40 IKBB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 17101458 HMOSTBJLYUWFQB-UHFFFAOYSA-N 437.521 5.784 5 40 IKBB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc([N+](=O)[O-])c1 869925 VGCFRGPGBXWZAM-UHFFFAOYSA-N 434.452 5.075 5 40 IKBB CCCC[C@@H](CC)Cn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2240944 MURIGPXHCOCMPI-LJQANCHMSA-N 448.611 6.738 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2409756 ZHPYYDRKVVITKS-UHFFFAOYSA-N 439.563 5.762 5 40 IKBB Cc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] 16249508 USSYBDUWEJGUEC-UHFFFAOYSA-N 426.210 5.765 5 40 IKBB Cc1nn(C)cc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCC1 79488874 QEEAUTLQESFIOQ-UHFFFAOYSA-N 431.496 5.346 5 40 IKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 214588222 OTOSHHFRTZDJHK-WSDLNYQXSA-N 448.500 6.017 5 40 IKBB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409116067 KMIFDLGCWKKMEC-UHFFFAOYSA-N 447.318 6.410 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(-c2nc(O)c3ccccc3n2)c1 409256115 JTPIYMZCZJKYEU-UHFFFAOYSA-N 427.338 5.722 5 40 IKBB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 9064940 YZUJWSOLCHXQGF-BJMVGYQFSA-N 448.342 5.007 5 40 IKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 218004433 NSQVLLAIUFZZDY-UHFFFAOYSA-N 433.316 6.446 5 40 IKBB C[C@H]1C[C@@H](C)C[N@+](Cc2ccccc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 245228632 ADAOHCAHEMYLFX-VQNIMACBSA-N 430.612 5.786 5 40 IKBB Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)c1 408827128 MEQPPVPLHYSXAN-UHFFFAOYSA-N 443.528 6.563 5 40 IKBB CCCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2110700 YKSDOOYQVZKAAB-UHFFFAOYSA-N 444.896 5.796 5 40 IKBB CC(C)(C)c1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2-c2ccccc2)cc1 9273912 IDDAFTLMFLOPSX-UHFFFAOYSA-N 431.521 5.686 5 40 IKBB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(F)cc2)C3=O)cc1 9452773 GFOYOMVFFIKFGV-HSZRJFAPSA-N 428.423 5.182 5 40 IKBB Cc1ccccc1-c1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(C)c2n1 19631558 DXJUPYIJZHTBOD-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408573385 DKWOFJRSKLQHNG-PTGBLXJZSA-N 443.503 5.256 5 40 IKBB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4[N+](=O)[O-])C(=O)O3)sc2c1Cl 408969151 ICDJIPOAMNQCOI-FLIBITNWSA-N 449.271 5.469 5 40 IKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 9829683 TYPOPZBORLMRPM-UHFFFAOYSA-N 442.859 5.239 5 40 IKBB CN(C)c1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1 22054130 YMZMTOFQCVHHFB-UHFFFAOYSA-O 431.468 5.063 5 40 IKBB in-vitro Cn1c(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)nnc1-c1ccc(Cl)cc1Cl 59459171 HJXNGFXIEOJWAD-UHFFFAOYSA-N 434.308 5.471 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)C1CCCCC1 9216459 CEWQLUVITYGHTF-UHFFFAOYSA-N 437.279 5.640 5 40 IKBB O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 16750797 HPDBNWIINHKSQG-UHFFFAOYSA-N 427.821 5.302 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(c1ccccc1)c1ccccc1 409177663 BRWVOPDHZOAXLI-UHFFFAOYSA-N 439.467 6.262 5 40 IKBB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c([N+](=O)[O-])c1 8430127 PSUIHTPPTXEFHA-UHFFFAOYSA-N 433.489 5.831 5 40 IKBB COc1ccc(-c2cc(=O)oc3cc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)cc23)cc1 11865513 APYVVATWEFWWMO-UHFFFAOYSA-N 437.835 5.609 5 40 IKBB Cc1ccc(N(C)C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C 34881369 GVEITCOZRTXOKJ-UHFFFAOYSA-N 443.510 5.773 5 40 IKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4[C@H]5CC[C@@H](C5)[C@@H]43)cc2)cc1 408994958 JZDPBZKZLZYIBC-OJAUKTCHSA-N 440.543 6.779 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 409179358 QQMMIHVXXQCPOR-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB COc1ccccc1[C@H]1[C@@H](Oc2ccc(Cl)cc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 1083555 WFZSLASDQDHKAR-FCHUYYIVSA-N 438.867 5.101 5 40 IKBB Cc1cc(C)cc(-n2c(-c3ccc(Cl)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2239349 PUNLGMGRLWALPC-UHFFFAOYSA-N 441.918 5.175 5 40 IKBB CCN(c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1)C(C)C 3235568 CHARROMRCYSWOT-UHFFFAOYSA-N 440.543 6.023 5 40 IKBB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] 8435100 YRPVOICYBJDRNZ-UHFFFAOYSA-N 429.476 6.261 5 40 IKBB Cc1cc(C)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(=O)c3ccccc3)sc2n1 12446527 AXHWUYICUDITRL-UHFFFAOYSA-N 431.473 5.305 5 40 IKBB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 59490034 VIDVLQXJVHJTQA-HYBUGGRVSA-N 443.975 5.938 5 40 IKBB CCn1c(=O)sc2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 225076885 VTJOFCFUYVHJGY-XSFVSMFZSA-N 445.500 5.170 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 2381240 ZITDFSXXMSINCZ-KRWDZBQOSA-N 438.793 5.423 5 40 IKBB O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859701 IWQRTZGOOAOWNC-KIEBQAAUSA-N 426.519 5.257 5 40 IKBB CCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] 17099926 OAGRTCFIZHREPM-UHFFFAOYSA-N 436.247 5.917 5 40 IKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 409182876 PLAYWZCHBQZYSK-MHZLTWQESA-N 449.510 6.269 5 40 IKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2062653 MWKTXVGQCKERHA-UHFFFAOYSA-N 438.783 5.217 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3c4ccccc4nc(SCc4ccc(Cl)cc4)n3n2)cc1 2968953 KXMWICMEILSQMJ-UHFFFAOYSA-N 447.907 5.798 5 40 IKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)cc([N+](=O)[O-])c1 6143802 ONHUMDRAPPYOQV-UHFFFAOYSA-N 446.810 5.106 5 40 IKBB O=C(Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccc(F)cc2)c1 16428438 HQHJPTNIFPTJQX-UHFFFAOYSA-N 427.367 5.161 5 40 IKBB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 34859493 RAIQOOBBQPAMMX-AATRIKPKSA-N 431.055 5.177 5 40 IKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1Cl 57316996 GSPCVVYGAREHPS-UHFFFAOYSA-N 435.661 5.201 5 40 IKBB Oc1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c(O)nn(C4CCCC4)c3nc12 95475119 LRBPTHKOBQDTDH-UHFFFAOYSA-N 436.471 6.072 5 40 IKBB Cc1cccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)c1 408557759 ORYRWMRQFTXTFA-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB Cc1cc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cc([N+](=O)[O-])c1C 408634646 TWBUMVWWVMPLHO-JAIQZWGSSA-N 436.445 5.831 5 40 IKBB CC(C)c1ccc(-c2nn3c(SCc4ccccc4)nc4ccccc4c3nc2=O)cc1 89893452 KGTXHWRTBJPLSS-UHFFFAOYSA-N 438.556 5.720 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cc2ccccc2o1 9414294 AGZNKSMDFDGAPG-UHFFFAOYSA-N 441.399 5.592 5 40 IKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372880 OZSUABONHHDSHV-UHFFFAOYSA-N 442.475 5.557 5 40 IKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccccc1 16476802 NTXQMJGWDZNNDE-UHFFFAOYSA-N 427.416 5.359 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17095351 SZGJODZOUHZDIY-MDWZMJQESA-N 427.416 5.245 5 40 IKBB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 13756409 VKPLDDKXSPQUTI-UXNRMSELSA-N 440.543 6.438 5 40 IKBB O=C(/C=C\c1ccccc1)Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 18193236 MIMDRJHVYRYGOU-KTKRTIGZSA-N 428.366 6.058 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 19894541 MNUPCGHQHKNTMS-UHFFFAOYSA-N 430.489 5.649 5 40 IKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 30859529 QVBHUSNQLPTYEX-UHFFFAOYSA-N 436.895 6.029 5 40 IKBB Cc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100045966 ZMFZHOYHZTXXGH-UHFFFAOYSA-N 448.347 5.197 5 40 IKBB C[C@]12C(=O)[C@@](C)(c3c1c1ccccc1c1ccccc31)[C@H]1c3ccccc3-c3ccccc3[C@@H]12 104129455 UCWQTQHDQAZVDT-SFMYBXFNSA-N 436.554 7.653 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408832898 SDPHKNNWIPIRCU-UHFFFAOYSA-N 430.489 5.649 5 40 IKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc([N+](=O)[O-])cc1Cl 32127992 FMKYJVQSBGYTJH-UHFFFAOYSA-N 443.846 6.462 5 40 IKBB Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] 2647647 YCFLQOCHXNGUNQ-UHFFFAOYSA-N 443.381 5.427 5 40 IKBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc(Br)c4O[C@@]312 9185646 QAONQROHPBRWEJ-NHCUHLMSSA-N 427.298 5.421 5 40 IKBB COC(=O)c1ccc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1 12560865 ATCRQLANRAQETB-UHFFFAOYSA-N 449.488 5.021 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)o1 41091666 OLKMCVXOSOFSKK-UHFFFAOYSA-N 425.872 5.669 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 408606494 ICZKJGAHLCFHMC-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB CCCCn1c(-c2ccc(Cl)cc2Cl)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 8836300 UJCVGDPQAPALNZ-UHFFFAOYSA-N 449.721 5.930 5 40 IKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1 30753148 NMSYZPYOADTUHM-XNTDXEJSSA-N 428.488 5.775 5 40 IKBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 97165923 PPXLGKSAVVGCEX-UHFFFAOYSA-N 434.320 5.110 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 104105357 JYEXLSPHXJKNIE-SHIBZZATSA-N 427.503 6.709 5 40 IKBB Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)o1 408632101 VQKXSVAQLPPQKI-CXUHLZMHSA-N 449.897 5.309 5 40 IKBB COc1ccc(N(C)C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408975773 NBBJVLLFCXPXCQ-UHFFFAOYSA-N 445.482 5.165 5 40 IKBB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409115753 HACDICXHJCUYLR-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(COC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 3670939 ONOMUTWQALEUCY-UHFFFAOYSA-N 448.387 5.688 5 40 IKBB CCC(=O)Oc1cn(CCCc2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 9242658 FFJLCJOEHULMMU-UHFFFAOYSA-N 426.520 5.348 5 40 IKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11282705 CGKFERRTHUZILA-UHFFFAOYSA-N 448.866 5.237 5 40 IKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C 12648398 ZVJQFYQJAZNCGU-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 14361211 NLRDFMDYABZJFW-KRWDZBQOSA-N 446.532 5.307 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)cc2[N+](=O)[O-])CC1 21595810 ADLURENFDFWINR-UHFFFAOYSA-N 441.837 5.756 5 40 IKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 26124489 MGMSOQICGZKRMD-UHFFFAOYSA-N 442.262 5.196 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106715812 XBXHDDYHQOITBW-CHHVJCJISA-N 443.695 5.792 5 40 IKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)ccc1[N+](=O)[O-] 2054823 UJLKRXKQQJNNNR-UHFFFAOYSA-N 429.476 6.261 5 40 IKBB COc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1OC 2633540 RFSNWSPIXJOLRZ-UHFFFAOYSA-N 444.443 5.184 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CC1CCCCC1 409126710 FOYJZIGWOZUQCS-YBFXNURJSA-N 446.912 6.125 5 40 IKBB C1CCC(CC[N+]2(CCCC[N+]3(CCC4CCCCC4)CCCCC3)CCCCC2)CC1 606421950 DOFBBTBDTDEQKK-UHFFFAOYSA-N 446.808 7.709 5 40 IKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCCc2c[nH]c3ccccc23)cc1 3436172 VCOCBCLXVQSALP-UHFFFAOYSA-N 431.517 5.508 5 40 IKBB Cc1ccc2c(c1)nc1cc3c(cc1n2C1CCCCC1)c(Cl)c(=O)c1ccccc13 5390004 CAHSOFBNCNUIHS-UHFFFAOYSA-N 426.947 7.323 5 40 IKBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccc(C)cc1 8915403 DXXVGHFGQLPTNL-UHFFFAOYSA-N 445.412 5.062 5 40 IKBB CCN(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)c1cccc(C)c1 9529494 AOGDLEWKISJHNM-UHFFFAOYSA-N 426.545 5.489 5 40 IKBB CC1CCN(c2ccc(C(=S)Nc3c(Cl)ccc4nsnc34)cc2[N+](=O)[O-])CC1 30822883 VIGPOJFXBQJGCE-UHFFFAOYSA-N 447.973 5.277 5 40 IKBB COc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1[N+](=O)[O-] 32126903 JGGLFKREBBHUHP-UHFFFAOYSA-N 439.427 5.817 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57313241 HVSJLRUDEPBPDU-CSKARUKUSA-N 441.896 5.343 5 40 IKBB CCC(C)(C)[C@H]1CC[C@H]2Oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@H]2C1 6142736 KLOIUKFRCWQAQR-PAXLWEDBSA-N 444.553 5.477 5 40 IKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(Nc2ccccc2F)sc1=S 12745025 CLEGKCAXFXPHGO-UHFFFAOYSA-N 439.925 5.208 5 40 IKBB O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2ccccc2)cc1 12834091 VVCMVHZUXQCYGW-UHFFFAOYSA-N 447.494 5.611 5 40 IKBB Brc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 3348965 KJGFBDGDSJWGHW-UHFFFAOYSA-N 439.312 7.559 5 40 IKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 22529033 LQXKTBWLHHWUBV-UHFFFAOYSA-N 449.898 5.577 5 40 IKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 12624664 LCVAGOPODLYUBG-UHFFFAOYSA-N 434.492 6.092 5 40 IKBB O=C(Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1)c1ccccc1[N+](=O)[O-] 21835344 VKEFQSUIGIUBOF-UHFFFAOYSA-N 444.394 5.538 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2C)cc1 408696234 YIJJYBHEAUECFA-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2302972 GZZCXOAUJQBDGM-UHFFFAOYSA-N 425.536 5.481 5 40 IKBB CCCCCCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 9085948 KKHIGHZRMJZHFA-UHFFFAOYSA-N 439.654 6.562 5 40 IKBB O=c1c2cc(Br)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 13552788 NCOWZYIKTWSXGG-MDWZMJQESA-N 448.276 5.227 5 40 IKBB CCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(Cl)cc23)cc1 20183550 SFNQDYZACUXUKJ-UHFFFAOYSA-N 428.879 6.365 5 40 IKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33660025 WKCYZUOWTCLLOO-UHFFFAOYSA-N 428.920 5.091 5 40 IKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 408563665 WHFHNGUAENDFQA-QOCHGBHMSA-N 436.320 5.501 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109792 UCIJOCHUGCRCKL-XBXARRHUSA-N 439.821 5.519 5 40 IKBB C[C@H](NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4868643 USQVESHYRJRFAM-SELVFMLMSA-N 425.573 5.310 5 40 IKBB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 9282439 TVWSXOZNBGXYFQ-UHFFFAOYSA-N 433.420 5.070 5 40 IKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 20212909 YKARHQWRTXSVSO-HSZRJFAPSA-N 444.878 5.697 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 409111054 BKIMUJNCPLWFBN-UHFFFAOYSA-N 426.472 6.578 5 40 IKBB COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)sc2c1 2675071 VVMPTOHTFVEXCK-UHFFFAOYSA-N 445.909 5.847 5 40 IKBB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 12441899 MOEGTRFAIAMDTF-UHFFFAOYSA-N 433.493 5.082 5 40 IKBB Cc1ccc(Cn2cc(-c3cc(C(=O)O)c4c(ccc5ccccc54)n3)c3ccccc32)cc1 16292517 NLIWJHULATYYIO-UHFFFAOYSA-N 442.518 7.065 5 40 IKBB C[C@@H](Nc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 95459107 XITTYGFZRBGCNP-VFNWGFHPSA-N 434.471 5.109 5 40 IKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OC 225677015 FDGPNRUGICZHJB-UHFFFAOYSA-N 440.496 5.011 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(Oc3ccccc3)cc1)CO2 2122138 KVHKJXXIGMPZMC-UHFFFAOYSA-N 435.479 6.403 5 40 IKBB biogenic Cc1ccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 408613037 WPSMEQNGMBSODA-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 408702855 IMRSAZCYVWGBKD-UHFFFAOYSA-N 428.535 5.305 5 40 IKBB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409121132 YOABWZNHSODVFU-UHFFFAOYSA-N 440.927 6.400 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1CC1CCCCC1 409130628 WWNCVHRJQHFHMB-YBFXNURJSA-N 446.912 6.125 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 3663607 KSGMGPBVXLQERO-UHFFFAOYSA-N 436.773 6.312 5 40 IKBB COc1ccc(-c2cc(-c3cc(C)ccc3O)c(-c3ccc([N+](=O)[O-])cc3)c(N)n2)cc1 25784412 QMXAMPCXQKLFOW-UHFFFAOYSA-N 427.460 5.596 5 40 IKBB O=[N+]([O-])c1ccccc1/C=C/c1nc2ccc(Oc3ccccc3)cc2c2c1CCS2 8781839 MKMAOTFSBXCQRS-ZRDIBKRKSA-N 426.497 6.754 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ccccc3o2)cc1 17098652 NUYKKRCSNUCUJV-XYOKQWHBSA-N 433.851 5.386 5 40 IKBB O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 18195054 GJFUHYTYGGUBMK-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2418157 YTTQWDADWMHJRE-AWEZNQCLSA-N 431.927 5.276 5 40 IKBB CCC(=O)Oc1cn(CCc2ccc(F)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871208 SOTKPOSOVCXZJE-UHFFFAOYSA-N 430.483 5.097 5 40 IKBB COc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)s2)c1 12685925 RUVQAYMEDRJIJO-UHFFFAOYSA-N 446.488 5.723 5 40 IKBB Cc1noc(/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1[N+](=O)[O-] 408542716 KRTFZDKYNAZWKE-WEVVVXLNSA-N 433.233 5.542 5 40 IKBB Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccccc2F)c1[N+](=O)[O-] 107634894 MFSWENMZBQRAGS-SOFGYWHQSA-N 433.233 5.542 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nc2ccccc2[nH]1 408635030 WXHBOKFUGSDNQY-ZDLGFXPLSA-N 441.852 5.602 5 40 IKBB CCc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409111332 ICSPSGPFRLLYTF-UHFFFAOYSA-N 441.325 6.111 5 40 IKBB Cc1cccn2cc(-c3cccc(NC(=O)c4cc5c(ccc6ccccc65)oc4=O)c3)nc12 1430445 PCEPOSWDGQOGDZ-UHFFFAOYSA-N 445.478 5.822 5 40 IKBB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 3432179 XBXSGGDIIHGYDK-UHFFFAOYSA-N 442.880 5.058 5 40 IKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc([N+](=O)[O-])c1 6143769 WMSDHNYXVRNEBW-UHFFFAOYSA-N 444.451 5.353 5 40 IKBB COc1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2C(C)(C)C)cc1 2718601 KMRWMZAEDAUNBG-UHFFFAOYSA-N 441.509 5.234 5 40 IKBB O=C(c1ccccc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 9056494 FYKHBAHAOBZJGP-UHFFFAOYSA-N 445.700 5.858 5 40 IKBB Cc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc12 9829699 LDZDXHNXZFBJRT-XFXZXTDPSA-N 430.489 5.155 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2c(Cl)cccc2s1 13839304 ZDBDSTYRKTXEMX-PKNBQFBNSA-N 425.853 5.770 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 17096455 LQTKDINVZZVORE-HNNXBMFYSA-N 429.476 6.477 5 40 IKBB Cc1ccc(C)c(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409111487 CLAANNGZFBEWAW-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3CCC(C)C)cc1 2246040 DCCLOQSQDJZIMI-UHFFFAOYSA-N 425.536 5.006 5 40 IKBB COc1ccc(C)cc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 3285443 CNGQEYUMEVZEOS-UHFFFAOYSA-N 438.534 5.513 5 40 IKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372860 RGEARARAYYKLBZ-UHFFFAOYSA-N 427.932 5.689 5 40 IKBB Cc1cc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c([N+](=O)[O-])cc1C 12540914 MNFGNWFBGCLTDH-UHFFFAOYSA-N 443.554 5.154 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 19894515 YUVKVGIDVWADSH-UHFFFAOYSA-N 435.530 6.316 5 40 IKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 8831830 ZJKZDAJAOMDNAM-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(Br)cc1 107807836 OWYNPKCNIQFJKT-VOTSOKGWSA-N 443.091 5.047 5 40 IKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409017456 WTMHYUPDPAJBMF-PVGUKEHMSA-N 442.493 5.017 5 40 IKBB CCc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccccc3)nc12 6860553 PHIWKTSLJAIMPG-UHFFFAOYSA-N 444.516 5.498 5 40 IKBB O=c1c2c(-c3ccc(F)cc3)csc2nc2c3ccccc3c(-c3ccc(F)cc3)nn12 15224938 GBTGZVMEOGIIEX-UHFFFAOYSA-N 441.462 6.070 5 40 IKBB O=C(Nc1c(Cl)ccc2nsnc12)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595779 QJBKXIGAXQZEHK-UHFFFAOYSA-N 425.278 5.373 5 40 IKBB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 106739393 ONTMPONYZOAQNH-FAPYRAKZSA-N 442.493 5.017 5 40 IKBB COc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 409053907 DLIBFEAQATVDBR-UHFFFAOYSA-N 437.502 5.708 5 40 IKBB CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 9109749 CWYCWIZQKNRSOG-UHFFFAOYSA-N 438.534 5.595 5 40 IKBB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccc([N+](=O)[O-])cc2)nn1 9578098 WHILSKZPSTZSMS-UHFFFAOYSA-N 426.548 5.838 5 40 IKBB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 12441897 BJNSZDUBPMGQDK-UHFFFAOYSA-N 433.493 5.082 5 40 IKBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c1 12539216 KZFZVBWEMUYABO-QGOAFFKASA-N 449.535 7.845 5 40 IKBB C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 21595345 AVHCHBOEIVSDJJ-QRURKXGXSA-N 431.492 5.886 5 40 IKBB O=C(Oc1cc2sc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12)c1ccccc1 6446044 QIJAPXPOKSUKFZ-UHFFFAOYSA-N 449.487 5.629 5 40 IKBB CSc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)CCCC3 9013757 GOWROLDPCJQDPK-UHFFFAOYSA-N 431.564 5.175 5 40 IKBB Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4[N+](=O)[O-])cc(C)c3O)oc2cc1C 9047132 YLSDURFECGVCEC-UHFFFAOYSA-N 447.447 5.051 5 40 IKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 16575984 WEKGZSFLNCACNQ-UHFFFAOYSA-N 431.448 5.787 5 40 IKBB Cc1[nH]c2ccccc2c1[C@@H]1c2cc([N+](=O)[O-])ccc2O[C@@]2(N3CCOCC3)CCCC[C@H]12 33683865 XTTZLFDVYNCVHM-QGDZQMKYSA-N 447.535 5.128 5 40 IKBB Brc1ccc2c(c1)cc(-c1nnc(-c3ccccc3)o1)c1nc3ccccc3n12 1889302518 AHXKGLNFBVGDSR-UHFFFAOYSA-N 441.288 6.120 5 40 IKBB CCCC[C@H](CC)Cn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 2203179 AWTKHUXIFQZJLS-IBGZPJMESA-N 448.611 6.712 5 40 IKBB CCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21 2204913 OHWGABKRMIRWBI-UHFFFAOYSA-N 433.147 6.063 5 40 IKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccccc2C)cc1 2249607 NPRPPYOAOQENNI-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CC(c1ccccc1)c1ccccc1)CO2 20610230 OYAXVMWBBUPMDP-UHFFFAOYSA-N 447.534 6.239 5 40 IKBB biogenic CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 223020323 QCXYIXHKEDHHLO-PAZQBSDDSA-N 440.543 6.282 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12 2738649 ASPATKBPFMUHPF-UHFFFAOYSA-N 431.879 6.333 5 40 IKBB COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3429641 NAKTYMAZKBMTKA-UHFFFAOYSA-N 442.811 5.030 5 40 IKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2Cl)o1 6147775 QQYSENXRCZDAKY-UHFFFAOYSA-N 439.906 6.106 5 40 IKBB O=[N+]([O-])c1cc(COc2cc(Cl)ccc2Cl)ccc1Sc1ccc(Cl)cc1 12958240 HLZWLYCFQIQFCO-UHFFFAOYSA-N 440.735 7.285 5 40 IKBB CN(C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1 408977828 YJLVHGHAQWVJAG-UHFFFAOYSA-N 446.539 5.713 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1 4554561 KOFZUUDHTKTICQ-WMCILJIVSA-N 425.554 5.967 5 40 IKBB O=[N+]([O-])c1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 16524034 LPZVYPFVMOKDNE-UHFFFAOYSA-N 436.298 6.520 5 40 IKBB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33647999 WLGUNWJGYMSWHI-UHFFFAOYSA-N 436.276 5.288 5 40 IKBB C[C@H](c1ccccc1)N(C)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 95931097 WZQUIEYZCMZJOB-HXUWFJFHSA-N 449.490 8.925 5 40 IKBB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 409107426 PNSPRALTAYMFML-UHFFFAOYSA-N 430.533 5.621 5 40 IKBB Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl 1071778 SWFZHYGVOAWADE-NHCUHLMSSA-N 443.286 5.746 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232901 LMJWPZMSQWCPLQ-YBFXNURJSA-N 440.864 5.745 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120089 VWKAPEYAYKHLDH-YRNVUSSQSA-N 433.851 5.632 5 40 IKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc1 23074635 CWRXYMNWRABNPG-UHFFFAOYSA-N 445.291 5.091 5 40 IKBB Cc1cc2sc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc2s1 84129184 LUKJIYJYURINJT-LBPRGKRZSA-N 439.522 5.395 5 40 IKBB C[C@H](Nc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 95459106 XITTYGFZRBGCNP-BTYIYWSLSA-N 434.471 5.109 5 40 IKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 13546488 VXLFNCYJIZZWIA-KGENOOAVSA-N 432.457 5.415 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c2)cc1 409176479 ORDTZIVOUIDNHG-UHFFFAOYSA-N 432.476 5.502 5 40 IKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2307090 YDDYFCJZKBSURS-UHFFFAOYSA-N 425.536 5.263 5 40 IKBB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1C 9427365 PDIUHEKFPXXMTM-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(Cl)cc1Br 14808366 RKWPLIRKEBNSGD-UHFFFAOYSA-N 442.696 5.176 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCSc2ccc(Cl)cc21 22141302 LHASIBORERIQEQ-LJQANCHMSA-N 434.948 5.161 5 40 IKBB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 10483260 OAFUKSMURPJCRC-UHFFFAOYSA-N 446.894 5.090 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2304957 CKZZRSHESIAUHC-UHFFFAOYSA-N 441.535 5.045 5 40 IKBB CSc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)COC(C)(C)C3 2370850 JSNJNBFSUMIEEI-UHFFFAOYSA-N 433.580 5.465 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(NCCNc1ccccc1)cc1oc3ccccc3[nH]c12 8846680 PDMLZXSNXYZAQV-UHFFFAOYSA-N 447.494 5.465 5 40 IKBB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372879 GVCPAIATCJMUPE-UHFFFAOYSA-N 428.448 5.249 5 40 IKBB CCCc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 17287239 JNIDNQFCXKFEHO-UHFFFAOYSA-N 438.314 5.373 5 40 IKBB CC(C)Sc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 223829146 GTMCZKRBUHTPHK-SFQUDFHCSA-N 426.523 5.126 5 40 IKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 408581161 GWNPOENUKLWLEV-UHFFFAOYSA-N 448.426 5.110 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2[nH]1 408635021 WQQPPCADRQFZCY-ZDLGFXPLSA-N 441.852 5.602 5 40 IKBB O=C(Nc1ccccc1Cl)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408978406 ZMFQTPWPUDALRR-UHFFFAOYSA-N 435.874 5.785 5 40 IKBB CCN(C(=O)c1cc(C(=O)N(CC)c2ccccc2C)cc([N+](=O)[O-])c1)c1ccccc1C 2063420 PVINLPZAWNIYEL-UHFFFAOYSA-N 445.519 5.545 5 40 IKBB CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 12985915 QVRBIAFZMSJLIA-JOCHJYFZSA-N 427.863 5.047 5 40 IKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(OCc2ccccc2)cc1 1817307 PQACNVQPTWSGAM-UHFFFAOYSA-N 449.466 6.576 5 40 IKBB Cc1cc2c(cc1C)N[C@H](c1c3ccccc3cc3ccccc13)C1=C(O)CC(C)(C)CC1=N2 102857888 XZQLZQGVUXMQID-SSEXGKCCSA-N 446.594 8.481 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C=C(Cl)c2ccccc2)cc1C=C(Cl)c1ccccc1 2049238476 PBRPOONQQCXZRL-UHFFFAOYSA-N 441.270 6.977 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)c(Cl)cc2Cl)cc1Br 1714709 YETSGTWEHKFEFY-UHFFFAOYSA-N 442.436 6.018 5 40 IKBB Cc1ccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)cc1 13799905 NVNKIIBPUXTFNA-UHFFFAOYSA-N 434.280 6.449 5 40 IKBB O=C1c2ccccc2N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1c1ccccc1Cl 16524325 GFKZSSVYTZNAPY-HSZRJFAPSA-N 445.862 6.279 5 40 IKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1[N+](=O)[O-] 21578574 SJAWWQHPVLSBBW-UHFFFAOYSA-N 445.475 5.979 5 40 IKBB Cc1cc2nnc(Sc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])n2c2ccccc12 33010820 XZUVQRXBSRTGBU-UHFFFAOYSA-N 438.818 5.923 5 40 IKBB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC 408618279 FPGXKXOTLWPKJW-UHFFFAOYSA-N 437.290 5.106 5 40 IKBB Cc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 888314 FWPIICTWDVOCFJ-UHFFFAOYSA-N 430.489 5.126 5 40 IKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1Cl 16228272 JLXWHXMQHYEUSA-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB O=C(Nc1ccc(Br)cc1F)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294584 BXXOPMIMHAVEDC-UHFFFAOYSA-N 429.654 5.617 5 40 IKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)cc1 226068765 ARLSSVJQPUGYSM-QHCPKHFHSA-N 443.608 5.325 5 40 IKBB CCSc1nnc2c(n1)O[C@H](c1c3ccccc3cc3ccccc13)Nc1ccccc1-2 2736568 BPKKELWGFPWIKY-XMMPIXPASA-N 436.540 6.460 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 4014286 UWOLVGKKIGQRBQ-UHFFFAOYSA-N 426.816 5.021 5 40 IKBB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)n1 20611437 DRQZCAJCEGLERR-UHFFFAOYSA-N 449.492 5.080 5 40 IKBB CC(C)n1ncc2c(-c3cc4cccc5c4n(c3=O)CC5)c3oc4cc(O)ccc4c3nc21 96114119 JPWUGIOTKASHNH-UHFFFAOYSA-N 436.471 5.155 5 40 IKBB biogenic CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 408570370 LELZVDUDEJJRAJ-JOCHJYFZSA-N 434.467 5.693 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)cc2)cc1 408695067 OMXAYTKUARGMGD-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408818580 XHMCZHZUWZIUIF-UHFFFAOYSA-N 429.952 6.718 5 40 IKBB COc1cc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc(OC)c1OC 1098141 HFDRSWLVSDCOCW-HXUWFJFHSA-N 446.503 5.280 5 40 IKBB CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1=O 2432276 PKIWZEVAGAPLCL-UHFFFAOYSA-N 447.399 5.111 5 40 IKBB biogenic O=[N+]([O-])c1cccc(-c2ccc(/C=C/c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)c1 3260507 JFQLMOWNFXCGNG-SDNWHVSQSA-N 434.451 7.347 5 40 IKBB Cc1ccc(Sc2ccc(CSc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 8781547 AADATAAQTCBSDI-UHFFFAOYSA-N 446.391 7.109 5 40 IKBB Cc1[nH]c2ccccc2c1C(c1cc([N+](=O)[O-])ccc1Cl)c1c(C)[nH]c2ccccc12 8854756 YVFWPFUAJHSFNE-UHFFFAOYSA-N 429.907 7.008 5 40 IKBB Cc1ccc2[nH]c3c(cc(NCc4ccccc4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9008992 HVZHWMNHURVCSL-UHFFFAOYSA-N 432.479 5.861 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2343733 YKBCCNKBBKWDKN-UHFFFAOYSA-N 449.917 5.656 5 40 IKBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 6501588 RUZYHSHMGGSIPW-UHFFFAOYSA-N 433.895 5.626 5 40 IKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1N1CCCCC1 12542604 VADOVEXIPSWRMD-AWEZNQCLSA-N 436.434 5.043 5 40 IKBB CN(c1ccccc1)c1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 14356672 JTGGHVOBPIAFAD-XYOKQWHBSA-N 432.461 6.051 5 40 IKBB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2cc1OC 20183524 DWIURAAASPOODA-UHFFFAOYSA-N 444.422 5.305 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)cc1 224163484 GMRSGYXOGJCIGT-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2ccccc21 409117151 WPQYKEQFTAYZNG-STZFKDTASA-N 448.906 6.124 5 40 IKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 409181165 YHJOGMONFGCKJC-UHFFFAOYSA-N 437.451 5.850 5 40 IKBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 222906887 DAQSZUGGZLMDKP-OJWZXOLNSA-N 426.516 5.892 5 40 IKBB Cc1c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cccc1[N+](=O)[O-] 408617013 BAXVZKNJCCBBTF-UHFFFAOYSA-N 433.851 5.298 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408836571 SPHMUAXEYBGWKQ-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB O=c1oc2ccccc2cc1-c1cc(-c2ccc(Cl)cc2)nc2ccc3ccccc3c12 2323092 MXRFUAVMGKYJOZ-UHFFFAOYSA-N 433.894 7.482 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)cc1 224504797 YKVPQKWNMFWOFU-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB COc1cc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc(OC)c1OC 946883 UTMOPRANHCQYFM-LJQANCHMSA-N 432.476 5.269 5 40 IKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 8832092 HSFYYOSHTUPHLG-XBXARRHUSA-N 447.878 6.325 5 40 IKBB Cc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12 13388725 YCLKPJCLXPYIKJ-UHFFFAOYSA-N 448.479 5.383 5 40 IKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 14272358 WVOICVUKGMJCBU-UXBLZVDNSA-N 447.878 6.325 5 40 IKBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140537 CKZPGBNDVHVABR-UHFFFAOYSA-N 438.823 5.513 5 40 IKBB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc([N+](=O)[O-])o4)C3=C(O)C2)cc1 100429192 LCZUKGLXFDKHQR-IZHWHUGBSA-N 431.448 5.825 5 40 IKBB O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 109412045 UMFJBDOSKFYTRI-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB O=[N+]([O-])c1cc(I)ccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250241 DWDHRYXLIKNCGW-UHFFFAOYSA-N 445.081 5.289 5 40 IKBB O=C(/C=C/c1ccccc1)Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 3139332 MIMDRJHVYRYGOU-MDZDMXLPSA-N 428.366 6.058 5 40 IKBB CCCC(=O)Oc1cn(CCC2=CCCCC2)c2nc(CCC)n3c4ccccc4nc3c12 9242826 OKKHPXSKDHTRHY-UHFFFAOYSA-N 444.579 6.386 5 40 IKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2c4ccccc4cc4ccccc24)N3)C1 15946338 PRVKSGUILKSJRD-DEOSSOPVSA-N 427.573 6.250 5 40 IKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc(Cl)c2)o1 17094620 SEFLCBRXWJPVKW-UHFFFAOYSA-N 425.853 5.884 5 40 IKBB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 58180521 HDZLDGZGKNWCRF-IERDGZPVSA-N 436.537 5.145 5 40 IKBB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] 59428128 UIPJKIUAVBJVFK-UHFFFAOYSA-N 428.560 6.318 5 40 IKBB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102969918 MQLNNTLHENOIHZ-RUZDIDTESA-N 447.535 6.578 5 40 IKBB O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872079 IWQRTZGOOAOWNC-XXCWLUELSA-N 426.519 5.257 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C\c2ccccc2)cc1C(Cl)=Cc1ccccc1 2049243843 SIGAOLLEFXESBW-PFQZEBPQSA-N 441.270 6.977 5 40 IKBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 14273006 CSGPMRSFLYLPPU-UHFFFAOYSA-N 444.491 5.008 5 40 IKBB Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1-c1nc2ccccc2o1 20807824 SPLMKUXCJQAWOU-UHFFFAOYSA-N 439.427 6.224 5 40 IKBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 409102849 WGBDOOGQUIMUSM-LICLKQGHSA-N 444.230 5.259 5 40 IKBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1777660 RVVVSFCBIMZEKS-UHFFFAOYSA-N 430.869 5.406 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2432865 WDBNCLWKRBHQIE-UHFFFAOYSA-N 429.499 5.062 5 40 IKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc([N+](=O)[O-])c1 8722004 ISPVCHAMRAVMAC-UHFFFAOYSA-N 446.846 5.503 5 40 IKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 21580604 YTCSBSRGXKFQDP-YRNVUSSQSA-N 448.866 5.452 5 40 IKBB C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 95459104 XITTYGFZRBGCNP-YCRPNKLZSA-N 434.471 5.109 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 408571341 OKNDOUPFJFKDMU-FQEVSTJZSA-N 441.314 6.462 5 40 IKBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408623260 RXFKJLRVRZGQLK-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB Cc1cc(OCc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)o2)ccc1[N+](=O)[O-] 2729881 VFXPXWXOVIHJBT-UHFFFAOYSA-N 440.540 6.183 5 40 IKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3)sc2c1 3084704 ZBDKPZPZSWWHJG-UHFFFAOYSA-N 433.445 5.130 5 40 IKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 8832183 ZVOAYABUYCWPIS-UHFFFAOYSA-N 449.898 5.666 5 40 IKBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 9851537 DRMPIKWIFBFAEB-JJIBRWJFSA-N 447.922 5.138 5 40 IKBB O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13758745 YUATVIBXBPIBKZ-AUSIDOKSSA-N 449.850 5.219 5 40 IKBB CC(C)CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 12137063 LUHXJHZOKNXQCN-UHFFFAOYSA-N 425.254 5.174 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 16591639 UBPGGPMECGXDKG-KBXCAEBGSA-N 441.837 5.202 5 40 IKBB CC(C)c1ccccc1OCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223747501 AROGACIZWDHEEE-HKOYGPOVSA-N 430.504 5.454 5 40 IKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCCC1 408977268 WKYOGAPDZASQJX-UHFFFAOYSA-N 438.560 5.452 5 40 IKBB CCCCN(CCCC)[C@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729666 MIXOXADZYDIRDZ-CJAUYULYSA-N 442.441 7.080 5 40 IKBB CC(C)CCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 9085876 BAYIRNOZYWVUBS-UHFFFAOYSA-N 439.654 6.103 5 40 IKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2csc(-c3ccc(F)cc3)n2)cc1 23078201 DMMBMOSTRYYYLG-UHFFFAOYSA-N 436.464 6.112 5 40 IKBB CC(=O)c1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 34880918 QERJJIPYRFQAGF-UHFFFAOYSA-N 443.466 5.334 5 40 IKBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 72229929 DMGSPXVGFNJCID-QHCPKHFHSA-N 448.862 5.842 5 40 IKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 214173056 BOUBJMKHECYACD-OEAKJJBVSA-N 429.928 6.883 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(C)ccc2C)c1 408694537 KDUGDNZYSNWYCF-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1OC 2738737 ISPYSVCKTQAJAS-UHFFFAOYSA-N 429.432 5.080 5 40 IKBB CCC(=O)Oc1cn(-c2ccc(C(C)C)cc2)c2nc(CC)n3c4ccccc4nc3c12 9124160 KBYNEJQLOZSQSY-UHFFFAOYSA-N 426.520 5.828 5 40 IKBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCc1cccc(Cl)c1 13566154 DPUNRKSAMBTZLY-UHFFFAOYSA-N 446.963 5.277 5 40 IKBB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107633125 HGEYSGVKUCUJON-UHFFFAOYSA-N 436.276 5.288 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)cc1 408823238 NIUPSNBKXRROHS-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1[N+](=O)[O-] 9583532 KVGCPFGZKDFLKS-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 16610813 DQMAFTLRCCLWQP-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OC)c-2cc1C 31291627 FRWVYEYQVJKWSZ-FAJYDZGRSA-N 428.532 5.960 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 2762091 QKSTVBYQMVINRF-UHFFFAOYSA-N 427.460 5.688 5 40 IKBB COc1cccc(-c2cc(C(=O)Nc3cc(Oc4ccc(O)cc4)cc([N+](=O)[O-])c3)on2)c1 12847942 AZISHTCCYJFZNF-UHFFFAOYSA-N 447.403 5.009 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 16214632 DVHNNYBONCOBJE-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 38179349 CMSBSQWMVMBOIP-UHFFFAOYSA-N 425.561 5.873 5 40 IKBB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl 408560591 DNAVBNMNHZHARB-UHFFFAOYSA-N 427.791 5.643 5 40 IKBB COc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)cc1 408621530 ONNIVNYNPSLMDE-UHFFFAOYSA-N 449.846 6.540 5 40 IKBB O=C(O)c1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 1099270 IPSWEDUFBMCVFA-UHFFFAOYSA-N 449.418 5.955 5 40 IKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-] 1312584 PMXYRUGTUDLQLM-UHFFFAOYSA-N 426.428 5.158 5 40 IKBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(Cl)c2)cc1 2214824 WJJXYVFIQSKYPU-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 8831831 ZQZNUEZHUZVCHB-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB CCCCC(=O)Oc1cn(CCC(C)C)c2nc(CCCC)n3c4ccccc4nc3c12 9243126 KFFPPJKNTCYYQP-UHFFFAOYSA-N 434.584 6.322 5 40 IKBB O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859700 IWQRTZGOOAOWNC-AWHBNHEUSA-N 426.519 5.257 5 40 IKBB CC[C@@H](C)CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2s1 13097884 OFINYKBQNZHFPJ-OAHLLOKOSA-N 445.972 6.721 5 40 IKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)c1 20183440 MVMXNNIJDSJSBT-UHFFFAOYSA-N 434.377 6.168 5 40 IKBB Cc1cccc(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C 48290661 HIKCWZLXONEWHI-UHFFFAOYSA-N 435.446 5.110 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2259967 LMASVKLKHHTNOB-UHFFFAOYSA-N 445.954 5.690 5 40 IKBB C[C@@H](NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 3427761 LKCVJJMFDFQRSI-QGZVFWFLSA-N 428.513 6.390 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)c1 6143773 WPDIFMSELWIVFT-UHFFFAOYSA-N 436.258 5.851 5 40 IKBB COc1ccc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)c([N+](=O)[O-])c1 8454711 YGIACARZUGFYPW-UHFFFAOYSA-N 427.460 5.688 5 40 IKBB Clc1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)cc1 10372591 FMDBEVZJHPCJED-UHFFFAOYSA-N 444.759 8.138 5 40 IKBB Cc1c(C(=O)c2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2n1C[C@H]1CCCCN1C 13918698 QGNIEJBBHMMNOZ-OAQYLSRUSA-N 441.531 5.726 5 40 IKBB in-vitro COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 20140607 RRLKDJLPIJSVCZ-UHFFFAOYSA-N 448.431 5.176 5 40 IKBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 33509725 JEXXFXJFRNGAKY-MRXNPFEDSA-N 441.494 5.471 5 40 IKBB Cc1csc(Sc2ccc(C(=O)O[C@H](C)c3nc(C(C)(C)C)no3)cc2[N+](=O)[O-])n1 40051179 QMQOIPMIHMLLNL-LLVKDONJSA-N 448.526 5.109 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032337 IEYGESFJPGTDHJ-FGZHOGPDSA-N 434.521 5.165 5 40 IKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 408994129 GIXVXZGXFCIJQO-DNCXPJJSSA-N 441.530 7.162 5 40 IKBB O[C@@H](c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1725685 FVVWTCZWVDUHPH-PMACEKPBSA-N 427.388 6.206 5 40 IKBB CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 8903041 CIQSVBJQRWNZNT-UHFFFAOYSA-N 431.448 5.544 5 40 IKBB Cc1ccc(C)c2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccccc3)nc12 12485330 KSDOHKQPANTHNZ-UHFFFAOYSA-N 444.516 5.553 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 409173926 PONKVOZWBDLMRS-UHFFFAOYSA-N 427.254 5.189 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 409203072 WDDHCVCEYDLCNI-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14272473 BTWQWCQZVRHCKE-UHFFFAOYSA-N 444.516 5.724 5 40 IKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1-c1nc2ccccc2s1 3461142 CHFOUTXIKSQKQV-UHFFFAOYSA-N 448.456 5.095 5 40 IKBB CC(C)C(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 8871247 SOTNIIGKRUARIW-UHFFFAOYSA-N 446.938 6.165 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1OC 12809969 IMDLPTLSCFWECZ-UHFFFAOYSA-N 429.432 5.080 5 40 IKBB O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ncccc23)CC1 25613287 PGSWZFCEROWYES-UHFFFAOYSA-N 439.475 5.144 5 40 IKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 408559336 VGPREUCASNMLDO-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122602 FUEATEFVODNYPB-UHFFFAOYSA-N 437.883 5.893 5 40 IKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 8836716 MOYKSPUVPOROLF-UHFFFAOYSA-N 431.927 5.186 5 40 IKBB Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 12523734 WBPMFXZTYKAYOS-UHFFFAOYSA-N 443.528 6.039 5 40 IKBB Cc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(C)cc2)cc1 51330372 FBXZCKUUXLJREK-NPFAENDCSA-N 437.543 7.013 5 40 IKBB CC(C)c1ccc([C@H]2OCc3ccccc3N2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1901439 QAWGFUMIWMGKGK-MPUSPQBPSA-N 428.488 5.994 5 40 IKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2284936 TZAYWXLWQJVAGV-UHFFFAOYSA-N 445.526 5.203 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(CCC3=CCCCC3)c2ncn1C1CCCCC1 2319500 OCMQUZDIKNIGQU-UHFFFAOYSA-N 427.552 5.690 5 40 IKBB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9499322 LBUALCMGLOQKAG-SNVBAGLBSA-N 429.845 5.202 5 40 IKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccccc5OC(F)F)nc34)c12 13643760 ZYEYOHOVHJWYQD-UHFFFAOYSA-N 433.390 5.402 5 40 IKBB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 17099717 SRVKIKBCPYFFRW-UHFFFAOYSA-N 435.823 5.499 5 40 IKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 19635877 LWEVZZNCNVYDOR-UHFFFAOYSA-N 442.475 5.564 5 40 IKBB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc1CC2 409050828 ARYFYMUZRCDVJN-UHFFFAOYSA-N 429.885 5.040 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409106730 UASAZDQSKVDZIX-UHFFFAOYSA-N 436.924 5.712 5 40 IKBB Cc1cc(C)c2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1813956 RWFCNRCNHLGTQX-CQSZACIVSA-N 442.968 7.012 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc(Br)c2)cs1 2888743 CNYDLZOSPVASJW-BQYQJAHWSA-N 430.283 5.133 5 40 IKBB O=C(Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 9805738 JRFQWQJDMGZEJF-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB CC(C)n1ncc2c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc(-c3cccs3)nc21 12774146 IBIGNLNSBRCOJP-UHFFFAOYSA-N 425.445 5.040 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Nc1ccccc1 409180815 VVFFXJXHHOSDBJ-UHFFFAOYSA-N 440.455 6.488 5 40 IKBB CCOc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 315428192 JLBASADVIGFZKS-UHFFFAOYSA-N 430.096 5.131 5 40 IKBB CCC(=O)Oc1cn(Cc2ccccc2Cl)c2nc(CC)n3c4ccccc4nc3c12 8871206 IDGROCWIXPSTIG-UHFFFAOYSA-N 432.911 5.417 5 40 IKBB CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)sc2c1 12542928 FAKSQFXDBXOPJC-UHFFFAOYSA-N 438.553 5.790 5 40 IKBB O=[N+]([O-])c1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 39066625 AFOFVDGGCVPOBX-UHFFFAOYSA-N 446.098 6.217 5 40 IKBB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 57316220 NGOLKLQATTXXKN-UHFFFAOYSA-N 438.528 5.212 5 40 IKBB O=[N+]([O-])c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)cc1 104149717 YIRURTNFOHNTSK-IBGZPJMESA-N 436.427 5.035 5 40 IKBB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 4767915 ITVJGEPUQLYSRO-QFIPXVFZSA-N 432.480 5.109 5 40 IKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2cccc([N+](=O)[O-])c2)N1 12574448 VZZAXRLZYUQGEY-NRFANRHFSA-N 428.473 5.127 5 40 IKBB Cc1c(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] 14270447 QGDWPXQUPPDVCS-UHFFFAOYSA-N 448.529 5.307 5 40 IKBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 16525150 HXJTZKUUOUFZGF-UHFFFAOYSA-N 448.891 6.259 5 40 IKBB CCC[C@@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@H](CC)c1ccccc1 4900989 OICXZJZJTBTPPS-ATIYNZHBSA-N 432.520 7.033 5 40 IKBB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 9905676 DSANLMXGVIPUGS-UHFFFAOYSA-N 427.460 5.854 5 40 IKBB COc1ccccc1-c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1C 13114737 JFSYESGPJAHWFR-UHFFFAOYSA-N 429.501 5.043 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 15946229 QPDCYMUZKGBNFN-SGTLLEGYSA-N 433.961 6.280 5 40 IKBB CCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)oc1c(OC)cccc12 16609851 MWJLYGCTEJEHPQ-UHFFFAOYSA-N 444.274 5.067 5 40 IKBB CCn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21 27260251 VSYXPZLNCWNKGF-CCEZHUSRSA-N 436.471 5.439 5 40 IKBB Cn1/c(=N/C(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c3ccccc3ccc21 100842128 LTGWSRLCDOCIFV-RQZHXJHFSA-N 436.492 5.394 5 40 IKBB Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)c1 408825300 ICQJENZVMIEBQK-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc(Cl)c2)cc1 6510924 NIYLGYHSFIHSHS-UHFFFAOYSA-N 433.895 5.626 5 40 IKBB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 8964474 BAOFMJAIZRMJEG-RUZDIDTESA-N 443.503 5.207 5 40 IKBB biogenic Cc1ccc(CNc2cc(NCc3ccc(C)cc3)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 12546970 XRTZDQRAWDHKBD-UHFFFAOYSA-N 429.442 6.455 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 15838272 XBJUKWWNJMDBRE-OAQYLSRUSA-N 436.851 5.263 5 40 IKBB Cc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)o1 95478305 MJXRAWZKCOFNRI-UHFFFAOYSA-N 431.492 6.596 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(OC)c1 224593285 CFXXIIIJUDWGMF-UHFFFAOYSA-N 436.464 5.142 5 40 IKBB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409249454 JEWWXLZTCPYRAD-UHFFFAOYSA-N 448.391 5.010 5 40 IKBB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(OCC)c2)C1=O 409355216 CFYJWALYPZHNCG-DEDYPNTBSA-N 442.493 5.019 5 40 IKBB Cc1nn(C(=O)c2cccc(Oc3ccccc3)c2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471322 XPDYZBPGHJBBNU-UHFFFAOYSA-N 445.500 6.040 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492233 CXPZXEJOBULOHL-UHFFFAOYSA-N 433.445 6.117 5 40 IKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102453474 IXWPIMCMOUHQKS-DEOSSOPVSA-N 429.476 6.726 5 40 IKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCCC1 408978100 YCJRDMUMGRQKIZ-UHFFFAOYSA-N 438.560 5.452 5 40 IKBB COc1ccc(Oc2cc(NC(=O)[C@H](C)n3nc(C)c(Cl)c3C)cc([N+](=O)[O-])c2)cc1 2805313 HRSIFTCVGPQRGY-AWEZNQCLSA-N 444.875 5.062 5 40 IKBB C[C@@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 8442390 WCTWYXKSUJFMLH-MZLPPYGWSA-N 438.483 5.228 5 40 IKBB COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538826 ZKKUUDLIKAMXDH-UHFFFAOYSA-N 432.904 5.114 5 40 IKBB COc1cc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc(OC)c1OC 12561453 YMTXMQBCTYFQOI-NRFANRHFSA-N 432.476 5.041 5 40 IKBB C[C@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12610309 IPBXTZPTLTWGMN-OAHLLOKOSA-N 435.446 5.050 5 40 IKBB COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2)s1 408823847 FOJSVNRBXPQZMV-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1Cc3ccccc3[C@@H]21 408994896 HOYZKHHBFLHCFU-VWYPKUQYSA-N 441.530 7.162 5 40 IKBB CCc1ccccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409112095 AXEGAMKKNUFJHT-UHFFFAOYSA-N 431.319 6.655 5 40 IKBB CCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409247551 CYGIFLXNRDCZNM-GIDUJCDVSA-N 427.265 5.608 5 40 IKBB O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8687455 PIYVUURYALRYKC-UHFFFAOYSA-N 432.505 5.600 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 15946233 QPDCYMUZKGBNFN-KPZWWZAWSA-N 433.961 6.280 5 40 IKBB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc([N+](=O)[O-])cc1 24522745 KYUXCCIVEKIVDV-UHFFFAOYSA-N 428.444 5.593 5 40 IKBB Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccc3ccccc3c2n1 40384471 HPXWXZHTJCHTPJ-UHFFFAOYSA-N 427.323 5.260 5 40 IKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223110515 FNRYYTHDSWAEPR-PKTZIBPZSA-N 447.564 5.086 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223123244 UXYBJPIJPMNALY-XZOQPEGZSA-N 448.548 5.555 5 40 IKBB Cn1c2ccc(C(F)(F)F)cc2n2c(=O)c3cc([N+](=O)[O-])ccc3c(-c3ccccc3)c12 3192098 NWTXRABQYLGDJQ-UHFFFAOYSA-N 437.377 5.538 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 15945769 FHBHKLZACIQMSX-ORAYPTAESA-N 429.542 5.635 5 40 IKBB C[C@H]([C@@H](O)c1ccccc1)[N@@+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 253589543 MCPADCZUJLTWHH-JEMVDZMCSA-N 444.598 7.242 5 40 IKBB O=C1S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccccc1 409348713 SFNPOFAEQSTYGZ-STZFKDTASA-N 432.457 5.415 5 40 IKBB CC1(C)C[C@@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2N1C(=O)c1ccccc1 2260835 CRJJBNGHCQVOFP-VWLOTQADSA-N 445.475 5.638 5 40 IKBB CCCCCN(CCCCC)C[C@H](O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 4411124 GWPMFHUNFJQZJC-PMERELPUSA-N 433.680 8.141 5 40 IKBB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9981138 ZUFYNRWGZSUTJN-UHFFFAOYSA-N 438.490 5.251 5 40 IKBB O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCc2ccccc21 16043973 GSWREUITAVWGDY-UHFFFAOYSA-N 433.514 5.559 5 40 IKBB Cc1c(Cl)cccc1-c1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)o1 16250053 MIRKYOIZLXNBII-UHFFFAOYSA-N 433.848 5.083 5 40 IKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1C 32116444 CVMDZBKZOSDFFY-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 39571620 IHTDJXVDCPPMOO-VIFPVBQESA-N 434.823 5.395 5 40 IKBB CC(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 20550260 JHHOCBPCDASKOH-DEOSSOPVSA-N 430.464 5.982 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 409206998 YFXGAAYGEYCRKW-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122606 WNFIIDPJEOTUMS-UHFFFAOYSA-N 428.448 5.256 5 40 IKBB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 8860147 QYIXLVMSSGUQDJ-OAHLLOKOSA-N 434.930 5.276 5 40 IKBB aggregator O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032545 AMBKQDYQHVDREW-YADHBBJMSA-N 434.521 5.165 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408558370 UCUMSTQHNZWQOR-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408801473 AXGRGGBAPUJIKN-UHFFFAOYSA-N 440.888 5.580 5 40 IKBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 823888 PHRZQACCNTUJBW-BOPFTXTBSA-N 428.322 5.218 5 40 IKBB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 2052734 QQPANFYNZJYNHO-UHFFFAOYSA-N 444.559 6.018 5 40 IKBB O=C(N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 2066239 WIUWTLFMFGWWAK-SFHVURJKSA-N 438.698 5.286 5 40 IKBB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 15944965 QSRNOKKQVHENGN-UHFFFAOYSA-N 433.445 5.421 5 40 IKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4cccs4)nc4ccccc34)o2)cc1 41105111 DGLQKVJIAODYCK-UHFFFAOYSA-N 447.501 5.609 5 40 IKBB COc1cc(-c2nc3ccc4ccccc4c3c3c2CCCC3)ccc1OCc1ccccc1 2057218 ATBFKFVHARMEGB-UHFFFAOYSA-N 445.562 7.521 5 40 IKBB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 3218208 CAHNYLARLWUKOX-UHFFFAOYSA-N 441.527 6.095 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc1 8739635 JEQXDLXKIDCHRY-UHFFFAOYSA-N 435.365 5.563 5 40 IKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)oc2c1 14272195 KTCMCUWWOGEFSX-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 16610796 UNBDHOHWJQLVBC-HNNXBMFYSA-N 429.476 6.477 5 40 IKBB CC1=Nn2c(nnc2C(F)(F)Cl)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 26465104 GFSRIKXIJGYZRV-ZSOIEALJSA-N 437.815 5.105 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032509 AMBKQDYQHVDREW-FGZHOGPDSA-N 434.521 5.165 5 40 IKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 2295109 VRJSAVFOWUILJW-UHFFFAOYSA-N 427.463 7.178 5 40 IKBB CC(C)(C)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)c2ncc([N+](=O)[O-])cn2)cc1 4106799 YYMDWHNHIDKQGY-UHFFFAOYSA-N 432.568 6.187 5 40 IKBB CCc1cc2c(C)cc(=O)oc2cc1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 8757245 HCSOHDNAEUMWJU-UHFFFAOYSA-N 438.314 5.291 5 40 IKBB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13955086 NWZAWKBAYHWKGP-UHFFFAOYSA-N 429.501 5.879 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)s1)c1ccc([N+](=O)[O-])cc1 15910474 NOZITNSSBAFRHM-UHFFFAOYSA-N 441.472 5.514 5 40 IKBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 226767465 FTUCHDUQAKNIGC-UHFFFAOYSA-N 438.823 5.246 5 40 IKBB O=C(OCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 12546746 HYERWXMMLUIKBB-UHFFFAOYSA-N 444.846 5.235 5 40 IKBB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408562144 NFVTVCWOWMEJBJ-QOCHGBHMSA-N 436.320 5.501 5 40 IKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 408612145 UNGULNHEYPUCQF-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409176801 YDASVHWAGGFWDL-OAQYLSRUSA-N 425.824 5.038 5 40 IKBB Cc1ccc(-n2c(Sc3ccc(C=O)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 3337332 CTCFQPMXGTXXFH-UHFFFAOYSA-N 430.489 5.423 5 40 IKBB Cc1cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)ccc1[N+](=O)[O-] 10128930 IJVVTGGOJJHQND-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214986626 PEAWVUVSOUOGRZ-HYARGMPZSA-N 446.484 5.410 5 40 IKBB C[C@H](c1ccccc1)n1c(-c2ccccc2Cl)nc2c(c(=O)c3ccccc3n2C)c1=O 2228394 ZUSUVWVLHRYIOF-MRXNPFEDSA-N 441.918 5.178 5 40 IKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccccc2)nc2ccccc12 3323682 OGQDNYOBZCXJHN-UHFFFAOYSA-N 442.427 5.034 5 40 IKBB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 4767917 ITVJGEPUQLYSRO-JOCHJYFZSA-N 432.480 5.109 5 40 IKBB COc1cccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 9187290 XPZOOILFJRSVPH-QFIPXVFZSA-N 438.439 5.001 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 408722227 FLAIVRYBQALNSC-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 409207386 VXSMOKQWXBFHSN-IZHYLOQSSA-N 445.500 5.079 5 40 IKBB CCN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409359760 XYSPYWWSZSLYMF-CXUHLZMHSA-N 438.383 5.462 5 40 IKBB O=C(O)c1ccccc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 1261900 IBGRFXATCUVSCC-UHFFFAOYSA-N 449.418 5.955 5 40 IKBB Cc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 9569661 YLFFDJMERGXPEQ-UHFFFAOYSA-N 426.885 5.494 5 40 IKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1ccccc1C 19792217 XCLOZKJJOFRKBP-UHFFFAOYSA-N 428.488 5.142 5 40 IKBB O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 40134413 FLWXUQBFUFXCCQ-UHFFFAOYSA-N 447.344 5.257 5 40 IKBB COc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)c(OC)c1 856315 PXHAQHNIGBYNAO-UHFFFAOYSA-N 431.473 5.226 5 40 IKBB O=[N+]([O-])c1ccc(Cn2c(C(F)(F)F)c(-c3ccccc3)c3cc(Cl)ccc32)cc1 8733561 AAOQXAIRSGAORX-UHFFFAOYSA-N 430.813 6.937 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 8741421 NZTTZJPEEQOVGI-UHFFFAOYSA-N 436.258 5.851 5 40 IKBB CC[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1c(C)nn(-c2ccccc2)c1C)N(C)C 9090565 IZGJKUQAIOBSOO-WJOKGBTCSA-N 441.472 5.061 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nc2ccccc2[nH]1 408635340 ZOBHAQYSIQLLSZ-ZDLGFXPLSA-N 441.852 5.602 5 40 IKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 19638294 SFQNXANOEIYXOG-UHFFFAOYSA-N 443.507 5.540 5 40 IKBB Cc1ccc(Nc2nnc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3ccccc23)cc1 8691977 VVOXULHFUYNPEB-UHFFFAOYSA-N 441.491 5.094 5 40 IKBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1cccc(OC)c1 9529505 YCBAHIUIAVSPMJ-JOCHJYFZSA-N 442.544 5.554 5 40 IKBB O=C(Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1)c1ccncc1 12844325 MSQSLEXQNJDHAJ-UHFFFAOYSA-N 429.432 5.659 5 40 IKBB COCc1cc(C)nc2sc3c(c12)N=C(c1ccc([N+](=O)[O-])cc1)O[C@@H]3c1ccccc1 15023498 PRZQQMPEWQODIO-OAQYLSRUSA-N 445.500 5.857 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 19643281 GOVFKIWTCBZQDJ-HNNXBMFYSA-N 445.475 6.177 5 40 IKBB C[C@H]1CCCCN1c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57313805 BPWYJHAPSGAACY-ZDUSSCGKSA-N 429.929 6.094 5 40 IKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223110572 FNRYYTHDSWAEPR-XZOQPEGZSA-N 447.564 5.086 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 408556565 JNYISOHSBPWFSG-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 409194867 DKQWPVAKIJFMNA-BZZOAKBMSA-N 449.919 5.723 5 40 IKBB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 8885079 MJTYZLIWKRJKBN-DEOSSOPVSA-N 431.492 5.935 5 40 IKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3cccc(Cl)c3)c12 20183458 LUQIVKFGFKSIDE-UHFFFAOYSA-N 430.851 5.811 5 40 IKBB COc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 226068801 CUBQILLIOLROAC-QHCPKHFHSA-N 428.637 5.425 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nc2ccccc2o1 408633428 KMDSUOFISAFFHW-ZDLGFXPLSA-N 442.836 5.867 5 40 IKBB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 677025 HVIDVSAIJHBLMA-UHFFFAOYSA-N 445.475 5.961 5 40 IKBB Cc1nc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2n1-c1ccccc1 9367609 FRTLWPPVDVBXAN-UHFFFAOYSA-N 428.473 5.709 5 40 IKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCC(=O)NCc2ccccc2)ncnc13 1327810 IKSZWGVKBDBFLN-UHFFFAOYSA-N 444.585 5.418 5 40 IKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 16399813 IPCMYROUKMKJNA-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 33731481 SCDCRJUTQQZLGL-UHFFFAOYSA-N 428.920 5.091 5 40 IKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 106745273 DFZQPNSFZZZCER-UUASQNMZSA-N 427.240 5.277 5 40 IKBB CC1CC[N+](Cc2ccc(F)cc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 226072338 QMZXEJSFUIYAME-OSNKGAMLSA-N 434.575 5.679 5 40 IKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 408576138 XJWZWXZXDFOURZ-INIZCTEOSA-N 427.288 5.132 5 40 IKBB Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1 9354851 VUUGMFHEDTWCPO-UHFFFAOYSA-N 436.252 5.847 5 40 IKBB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 9360540 JTAIEGYNALJWJQ-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl 19630689 ARCFAERZBPZXLP-RMKNXTFCSA-N 439.880 6.078 5 40 IKBB Cc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] 408802595 ZFMOAENOFBZBOT-MAKSOAMOSA-N 436.557 5.957 5 40 IKBB CCOc1cc(-c2c3c(nc4ccc5ccccc5c24)CCC3)cc(Br)c1O 2192190 KLOOEIAZMYNQJJ-UHFFFAOYSA-N 434.333 6.411 5 40 IKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3CCC2=CCCCC2)cc1 2247826 IWIAZYGZLJEERR-UHFFFAOYSA-N 449.558 5.542 5 40 IKBB Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc(C)cs3)sc2c1 3429686 BNUVRNZWJKZXMI-UHFFFAOYSA-N 442.547 5.681 5 40 IKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 9679252 FDLBEEAMQDLBIV-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB COc1ccccc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 9831795 RVDPDDZEUYMLHT-UHFFFAOYSA-N 435.435 6.266 5 40 IKBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Br 17197333 IBCYOIXAPJBGTM-UHFFFAOYSA-N 448.298 5.050 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 65090440 XBIUSDCNAPWSJE-UHFFFAOYSA-N 438.284 5.065 5 40 IKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 409182527 MHACKFJDWKGEBD-UHFFFAOYSA-N 433.851 5.458 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 2332876 OVSYQHSTFCBNPD-UHFFFAOYSA-N 439.563 5.540 5 40 IKBB O=[N+]([O-])c1ccc(-c2n[nH]c(-c3cccc([N+](=O)[O-])c3)c2-c2nc3ccccc3[nH]2)cc1 9126772 LINQCULNVQCGLY-UHFFFAOYSA-N 426.392 5.103 5 40 IKBB CN(C)c1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 104089557 NJVRJLXWMDITKA-UHFFFAOYSA-N 444.498 5.198 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 408553571 AKIGWUNDDHTITO-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409215684 DKZNMYPEAVQPSA-ZHZULCJRSA-N 426.494 5.400 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 1861318 VDXORODIYDGSCG-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 8989997 KNMWZPITPQYRPL-UHFFFAOYSA-N 448.460 5.649 5 40 IKBB Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 12526623 FKZFMNTUQYMAPN-UHFFFAOYSA-N 430.464 5.026 5 40 IKBB Cc1ccc(N2C(=O)/C(=C/Nc3ccc([N+](=O)[O-])c(Cl)c3)c3ccccc3C2=O)cc1C 12648055 SCWAFSYXPQTQQR-DEDYPNTBSA-N 447.878 5.505 5 40 IKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1cccc(C)c1 19792218 UKBJTARNSRYPFL-UHFFFAOYSA-N 428.488 5.142 5 40 IKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 110206646 RHFZRWQCQCVYGZ-IVCQMTBJSA-N 429.593 5.862 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2256795 YDHRNPJCTVQZPF-AWEZNQCLSA-N 431.927 5.276 5 40 IKBB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 2356761 QNAAJPAMBRUSSM-UHFFFAOYSA-N 426.428 5.158 5 40 IKBB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 9428329 JBDSHDPFUOPBND-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 16607927 DSVRESOZAXSXSK-HSZRJFAPSA-N 429.505 5.536 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(C(=O)O)c3)o2)c([N+](=O)[O-])c1 20150997 LTYFDFIDBCUZEG-WEVVVXLNSA-N 426.812 5.167 5 40 IKBB COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1OC 23643553 BBTVERJJWHVOES-UHFFFAOYSA-N 448.504 5.152 5 40 IKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 214045880 JMFCWNCOXXVAJU-UDWIEESQSA-N 436.445 5.100 5 40 IKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 408571343 OKNDOUPFJFKDMU-HXUWFJFHSA-N 441.314 6.462 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)c1 408991284 QBHJNXDMCADXMG-UHFFFAOYSA-N 441.896 6.154 5 40 IKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2418156 YTTQWDADWMHJRE-CQSZACIVSA-N 431.927 5.276 5 40 IKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 11691979 ZWZMTMKQBJVQSZ-UHFFFAOYSA-N 438.798 5.413 5 40 IKBB CN(C)c1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(N(C)C)cc2)cc1 17824391 IGWNXAHVNPKRTO-UHFFFAOYSA-N 443.511 5.157 5 40 IKBB O=C(O)c1cc(-c2ccccc2Sc2ccc(Cl)cc2)nc2ccc3ccccc3c12 59596949 GFGKQEALJZNMMJ-UHFFFAOYSA-N 441.939 7.558 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3CC[C@@H](CC)O3)c21 90415590 IMLOORYQWUJFQT-FOIQADDNSA-N 446.499 6.095 5 40 IKBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408564626 ZYQGMWBVLVQRNU-LNVKXUELSA-N 429.929 5.464 5 40 IKBB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409118149 SPBHFOLSHRFMRA-UHFFFAOYSA-N 426.900 6.065 5 40 IKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409314483 RMDBBRUXPAOXFB-VAWYXSNFSA-N 438.443 5.123 5 40 IKBB Cc1cccc(Oc2cc(NC(=O)c3sc4ccccc4c3Cl)cc([N+](=O)[O-])c2)c1 828575 UHHHHFUADAEWLT-UHFFFAOYSA-N 438.892 6.816 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1Cc1cccs1 2437666 BVUOHXSLUYIMPI-UHFFFAOYSA-N 443.919 5.047 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881181 QLQZLROXOLIEFE-UHFFFAOYSA-N 432.476 5.448 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 19894507 RECRSURBRGASIY-UHFFFAOYSA-N 431.473 5.646 5 40 IKBB Cn1c(Cc2cccc3ccccc23)nnc1SCc1c[nH]c2cc([N+](=O)[O-])ccc12 59474752 KCYJQDQIZFGQOX-UHFFFAOYSA-N 429.505 5.241 5 40 IKBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1-c1ccc(CO)o1 20142860 SRPHZCDVRZSDAX-UHFFFAOYSA-N 449.507 5.144 5 40 IKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100503921 PTDYKQAKYRDLHK-CNXCYTMISA-N 448.478 5.018 5 40 IKBB Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1[N+](=O)[O-] 408545382 YKOYGJSOIZIDIP-UITAMQMPSA-N 449.688 6.057 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 408603994 CMGOKYFTQNPTPJ-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2253194 ISRJEJUPMVGQAR-UHFFFAOYSA-N 443.938 5.420 5 40 IKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2433248 XYSWILOISVEIJQ-UHFFFAOYSA-N 438.318 5.309 5 40 IKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 59463610 QJMLDQVKHZJJEX-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB CCCOc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 408553586 AMLXMAMETJVYMR-UHFFFAOYSA-N 444.123 5.521 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408554235 CMOIYFZFPBCKBD-UHFFFAOYSA-N 443.843 5.356 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC(c3cccc4ccccc34)=Nc3ccccc3S2)c1 5810658 RFDIQYMVHMNYQP-VWLOTQADSA-N 444.943 7.759 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408822996 DARAYIBPYWKXPS-UHFFFAOYSA-N 447.491 6.394 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408987608 FXAGFWCYBICQRM-UHFFFAOYSA-N 447.516 5.820 5 40 IKBB CCCCOc1cc2nc3c4ccccc4n(CCC(C)C)c3nc2cc1OCCCC 2276156 AZAVTODLZWCVEQ-UHFFFAOYSA-N 433.596 7.142 5 40 IKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2c(c1)oc1ccccc12 3176443 QRFONNSQUSWQEM-UHFFFAOYSA-N 435.486 5.835 5 40 IKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769220 DGZFYECPAVFNTR-OEAKJJBVSA-N 440.480 6.138 5 40 IKBB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C(C)(C)CC)c1 4014688 KQDIYCOYCHGNHL-UHFFFAOYSA-N 428.529 5.693 5 40 IKBB O=c1c2cc(Br)ccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1 8743145 UKGMYFSRBQJKCH-JLHYYAGUSA-N 448.276 5.227 5 40 IKBB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CSC3)c(C)c1 9404473 YIZBOKNHYLICTG-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 15913536 YRBIHCHJGJTSNT-UHFFFAOYSA-N 444.365 5.076 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccccc3F)c2)c(Cl)c1 16450060 LVWMBMZDVIROPS-UHFFFAOYSA-N 429.879 5.168 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 409179634 QUXSLADHOPEXBU-FQEVSTJZSA-N 430.243 5.683 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409191032 YYWUNSJTSAZWIE-YBFXNURJSA-N 440.864 6.058 5 40 IKBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc(Br)c4O[C@]312 9183429 QAONQROHPBRWEJ-RTWAWAEBSA-N 427.298 5.421 5 40 IKBB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 10542816 PFSCEEOUXNYFDF-UHFFFAOYSA-N 433.316 6.446 5 40 IKBB Cc1ccc([P@@](=Nc2ccccc2[N+](=O)[O-])(Oc2cccc3cccnc23)C(C)(C)C)o1 12575437 PEGULCVXMZGPFK-JGCGQSQUSA-N 449.447 6.995 5 40 IKBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1sc2cc(Cl)ccc2c1Cl 33786694 LSRIJDYTJPZGHT-UHFFFAOYSA-N 444.296 5.382 5 40 IKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408545496 ZGLDYLUDVNSUBQ-UXBLZVDNSA-N 445.269 5.412 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 408572568 KEPRLJPCKFMRGN-DHZHZOJOSA-N 427.869 5.035 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(Cl)c2)cc1 408694663 LNENXUROCKIIHM-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CCCCCC[C@@H](C[C@H](C)CCCCCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 5047573 RHMQUCJFHNCQBF-GGAORHGYSA-N 434.621 6.677 5 40 IKBB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102602027 BTXNKOYASZLJGN-HXUWFJFHSA-N 431.452 5.332 5 40 IKBB CCOc1ccc(NP(=O)(Nc2ccc(OCC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 1870336 HTRQATWLXJDMBX-UHFFFAOYSA-N 441.424 5.435 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)cc1 2413726 PVJJTDIMRWUSPN-KRWDZBQOSA-N 425.536 5.597 5 40 IKBB CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2CCc1ccccc1 5030664 JCEMCJUGNHYLKB-QGZVFWFLSA-N 425.536 5.071 5 40 IKBB Cc1ccc(C2(c3ccc(C)cc3)O[C@@H](c3cccc([N+](=O)[O-])c3)Nc3ccccc32)cc1 8816233 XASBODLVPBZCTK-MHZLTWQESA-N 436.511 6.644 5 40 IKBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])ccc1Cl 408527096 AOXUUQOYZWLDHU-UHFFFAOYSA-N 431.835 5.591 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2268847 BQASBJQTIDWFRM-UHFFFAOYSA-N 425.536 5.481 5 40 IKBB CCCC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl 16636997 OMICCUGJXCWWEW-UHFFFAOYSA-N 440.681 5.002 5 40 IKBB O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 20031832 NGBHSFJWMUKHDY-UHFFFAOYSA-N 437.373 6.881 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1C 224283108 KYUGNUZYAYKAHX-UHFFFAOYSA-N 434.492 5.668 5 40 IKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 408576145 XJWZWXZXDFOURZ-MRXNPFEDSA-N 427.288 5.132 5 40 IKBB Cc1ccc(C)c(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 409178087 IOOJXJSULXTMNQ-UHFFFAOYSA-N 448.475 5.466 5 40 IKBB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 1205832 BZISGYMOSKXVAH-DEOSSOPVSA-N 447.491 5.159 5 40 IKBB Cc1ccc(-c2nc3c(C)cccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3208205 FTPCZSGDXHNSKA-UHFFFAOYSA-N 432.392 5.180 5 40 IKBB CCc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792274 STSCCBFAKDIYCQ-UHFFFAOYSA-N 447.494 5.172 5 40 IKBB biogenic O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Cl 214133768 ZOERESFXIZNTFK-YBFXNURJSA-N 440.864 5.745 5 40 IKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OCC 225677106 BEZZLNQOZSZZRL-UHFFFAOYSA-N 440.496 5.011 5 40 IKBB COc1ccc(N2C(=O)CC[C@@H](Sc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 65090584 KUPPPQBRTMFCBP-ISKFKSNPSA-N 434.517 5.632 5 40 IKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc(OC)c1OC 96114715 WCSTYPOLMCUOJV-UHFFFAOYSA-N 433.464 5.310 5 40 IKBB biogenic CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 100494059 AJXOZSWOGGYRDM-LJQANCHMSA-N 448.866 5.613 5 40 IKBB Cc1cccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)c1 2231569 XSFCDRXRWIZXKN-UHFFFAOYSA-N 426.520 5.820 5 40 IKBB O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)ccc1Cl 13617544 LJRZAFXNGANBMW-UHFFFAOYSA-N 444.705 7.279 5 40 IKBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 17095630 LURZWVRJOKTUEX-UHFFFAOYSA-N 427.844 5.916 5 40 IKBB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 19629616 UPNOYJGDSYSORD-CYBMUJFWSA-N 439.493 5.201 5 40 IKBB COc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1 30835704 ZALPGQYIHYASCB-UHFFFAOYSA-N 440.340 7.493 5 40 IKBB Cc1ccc(C[N+]2(C[C@@H](O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCC2)cc1 226071169 CGBGLCHNMHICRZ-RUZDIDTESA-N 438.676 6.141 5 40 IKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)NCc2cccs2)ncnc13 1327835 TYGMPJUBQXJBLG-UHFFFAOYSA-N 436.587 5.171 5 40 IKBB Cc1c(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cccc1[N+](=O)[O-] 14272146 HWUYFZCJDHCLFP-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB O=C(COc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 408608067 MMEPFIFICXNMBA-UHFFFAOYSA-N 446.290 5.531 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc1 408834836 VVRPBFLNITZFPE-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB O[C@H](c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1725686 FVVWTCZWVDUHPH-VQTJNVASSA-N 427.388 6.206 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2106359 SSJHNJIIDJLCPU-SFHVURJKSA-N 445.733 7.204 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4554565 LZXALZJVVLDKIM-SKKNNVLYSA-N 425.554 5.967 5 40 IKBB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20806055 BHFLGQGLJZGCFX-UHFFFAOYSA-N 443.390 6.054 5 40 IKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 20969974 VXHMVMKMWANUBK-JOCHJYFZSA-N 443.438 5.011 5 40 IKBB CC(C)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C2CCCCC2)cc1 22011501 CUNGPHLIJQBAIX-XMMPIXPASA-N 434.540 6.179 5 40 IKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 2406827 UBAAOXSTYRXTNB-MRXNPFEDSA-N 425.536 5.516 5 40 IKBB O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8831790 CQSZFFIASFVNPL-UHFFFAOYSA-N 446.290 5.124 5 40 IKBB Nc1c(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccn2c1C(=O)c1ccccc1 8844873 YUAZVHPFWFHZOH-UHFFFAOYSA-N 440.484 5.451 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(-c2ccc(F)cc2)cs1 11248739 LYJMVGYRARLTTR-UHFFFAOYSA-N 429.476 5.056 5 40 IKBB Cc1ccc(Sc2ccc(/C=C(\Cl)c3nc(=O)c4ccccc4[nH]3)cc2[N+](=O)[O-])cc1 12565632 RVXOIUJWWKAMCD-PDGQHHTCSA-N 449.919 6.028 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)c(C)c1 224626102 RIEHKTZOAFOVJX-UHFFFAOYSA-N 434.492 5.750 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)n(-c3nc4ccccc4s3)n2)cc1 2289687 SKSLMQACAVYYGT-UHFFFAOYSA-N 445.529 5.745 5 40 IKBB CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1 3190941 VHBBLCKAKLHXDF-UHFFFAOYSA-N 432.392 5.126 5 40 IKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)c(C)c2)cc1 8836725 STEFFZFDKGFFOG-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 14406382 TXCQBFODRKBHDJ-UHFFFAOYSA-N 447.491 6.394 5 40 IKBB Cc1cc2c(cc1C)N1[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]1C(c1ccc(OC(F)F)cc1)=N2 16740803 PKCRTIILKUFSJZ-LHZJRAGZSA-N 435.430 5.877 5 40 IKBB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C 898880 KBYGDDIVKQDFGQ-XDHUDOTRSA-N 429.476 5.128 5 40 IKBB CSC1=C(c2ccc(Cl)cc2)S[C@H](N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 31861445 CPYDMUGQZURODB-OAQYLSRUSA-N 448.013 6.260 5 40 IKBB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc12 101391953 GUJBJKFIZWCXGJ-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CCCc1ccccc1 409137756 YOBZYVXHVZMTIB-RCCKNPSSSA-N 434.473 5.524 5 40 IKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2751446 QDUJDVHSWCOLCF-UHFFFAOYSA-N 448.218 5.854 5 40 IKBB CCCC(=O)Oc1cn([C@@H](C)c2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 8871240 BYKGIRDDOBVXEV-SFHVURJKSA-N 440.547 6.105 5 40 IKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17100039 WGDJMMLFUZKAFF-UHFFFAOYSA-N 436.405 5.139 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408831489 PNIYAHWBAWITCR-UHFFFAOYSA-N 443.528 6.563 5 40 IKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6906678 DSGHQPKLTZOUEJ-UHFFFAOYSA-N 433.851 5.724 5 40 IKBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1cccc(OC)c1 9529504 YCBAHIUIAVSPMJ-QFIPXVFZSA-N 442.544 5.554 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 35600956 UBPGGPMECGXDKG-KSSFIOAISA-N 441.837 5.202 5 40 IKBB Cc1cc2sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)nc2cc1Cl 57313067 GNUQZXBHFJVRCR-UHFFFAOYSA-N 438.317 6.287 5 40 IKBB O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568058 KSGCZYIPRONJGM-LHSJRXKWSA-N 442.308 6.884 5 40 IKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 4014466 COCJPSTYZBFJME-UHFFFAOYSA-N 439.255 5.052 5 40 IKBB Cc1[nH]c2ccccc2c1[C@@H]1c2cc([N+](=O)[O-])ccc2O[C@@]2(N3CCOCC3)CCCC[C@@H]12 716557 XTTZLFDVYNCVHM-BYXVTNLJSA-N 447.535 5.128 5 40 IKBB CC(C)c1ccc([C@H](CC(=O)c2ccccc2)[C@@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859440 HVBNGCBBUVVMIM-ZCYQVOJMSA-N 431.488 5.943 5 40 IKBB CC1=NN(c2ccccc2)[C@H](N=P(OC(C)C)(OC(C)C)OC(C)C)[C@@H]1[N+](=O)[O-] 4114607 MIQOLQAFTCXERC-MOPGFXCFSA-N 426.454 5.075 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1Cc1cccs1 6150852 DIPVNHUGBYTPJF-UHFFFAOYSA-N 443.919 5.047 5 40 IKBB CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cc2ccccc2c2ccccc12 16683054 QYCBTSSQDONWFU-UHFFFAOYSA-N 427.500 6.025 5 40 IKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17100037 VNLAWWGLNNVCLG-UHFFFAOYSA-N 436.405 5.139 5 40 IKBB O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(N2CCCCC2)CC1 70036640 BIWKJVFAEVEBJN-UHFFFAOYSA-N 443.931 5.131 5 40 IKBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106729164 ZLNGPYRIOSEAEL-GQFJFNLSSA-N 442.493 5.017 5 40 IKBB O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408573343 BUQWSDCAAXORNP-LYBHJNIJSA-N 436.467 6.566 5 40 IKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)cnc32)c1 2332302 MYWXYLIVIZOVHW-GOSISDBHSA-N 431.499 5.201 5 40 IKBB O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138269 NKLNXWXVRWSPMJ-UHFFFAOYSA-N 439.383 5.120 5 40 IKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(I)cc3)sc2c1 3664010 IFQUXRXKMKJWQH-UHFFFAOYSA-N 428.276 5.101 5 40 IKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6177531 YHUYISVJQGTNRJ-YCRPNKLZSA-N 432.436 5.095 5 40 IKBB COc1ccccc1Oc1c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)n[nH]c1C 17208267 HMABYWZCVQMYAP-UHFFFAOYSA-N 447.447 5.379 5 40 IKBB CCOc1cc(C=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 35657388 NUDGJKSVTQBTLL-UHFFFAOYSA-N 434.164 5.380 5 40 IKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 409001928 XZVPEAWUEIUIME-UHFFFAOYSA-N 443.846 5.946 5 40 IKBB Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C 409111469 IWEURXNZCHAUSL-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409114378 JIGFSSQRFKDRDA-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)o1 409130880 WYOXHGZYIAKAHD-JCMHNJIXSA-N 448.500 5.832 5 40 IKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1Cl 17101856 ORLDBMHXTJJANN-UHFFFAOYSA-N 438.094 5.843 5 40 IKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409213111 SIULSGPFVOPJGK-HMAPJEAMSA-N 448.500 5.751 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc(Cl)cc3)c2ncn1C1CCCC1 2246518 JJGDVFRQNSDEFA-UHFFFAOYSA-N 429.911 5.111 5 40 IKBB O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 8989982 WHIDVRODEZZIDD-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 9111260 FPJYBDAGDDVDRK-UHFFFAOYSA-N 449.466 5.519 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145101 LFPTYKSSPYNAGQ-KRXBUXKQSA-N 433.247 5.306 5 40 IKBB CCN(CC)c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-] 72229249 UIIWAVJGFCSXRC-UHFFFAOYSA-N 426.698 5.109 5 40 IKBB Cc1nnc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)o1 408633056 VNQIVOMFOGESLR-CPSFFCFKSA-N 442.236 5.071 5 40 IKBB C[C@H](CCc1ccco1)N(C)C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 2729975 XXGLDVHAVSFITA-MRXNPFEDSA-N 442.899 5.514 5 40 IKBB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 11847382 MEESALJQUCAWEM-KGEYNJJLSA-N 431.517 5.399 5 40 IKBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(C(C)C)cc2)C1 15673894 LHGCJDHPBJGHSC-DHIUTWEWSA-N 430.552 5.723 5 40 IKBB biogenic,in-vitro COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 19637922 ARGNOZBZSJRIMV-JXMROGBWSA-N 443.459 5.680 5 40 IKBB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224855567 AJDDWUWSOLJHBZ-XSFVSMFZSA-N 428.366 5.673 5 40 IKBB CCCCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408574706 KDTZRFZNJQQXQJ-HKOYGPOVSA-N 444.487 5.731 5 40 IKBB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409120623 UTZGMGQRSVRPIP-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 3128276 YBEIGMMJMASHAI-UHFFFAOYSA-N 426.347 5.859 5 40 IKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 20212897 PVFDMRHVIFLGDP-QHCPKHFHSA-N 444.878 5.697 5 40 IKBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20797376 XEVTXUWZEFGNFU-QHCPKHFHSA-N 439.475 5.181 5 40 IKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 408558029 RPGMFXJZIJJGJK-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409253559 ZPTSJIDXBBWYOJ-HYARGMPZSA-N 448.500 5.773 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1[N+](=O)[O-] 830102 ZUJYYVHLLWHAOK-UHFFFAOYSA-N 444.443 5.328 5 40 IKBB aggregator Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1C 1838025 JSZZZFPISJJCIZ-UHFFFAOYSA-N 433.463 6.874 5 40 IKBB COc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 9264813 HFBOELVSVIOHRN-UHFFFAOYSA-N 448.504 5.055 5 40 IKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl 72229386 JVWSAQRSRQXDLR-UHFFFAOYSA-N 428.703 5.798 5 40 IKBB Cc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] 224782816 WAKBULRBBMGHQV-UHFFFAOYSA-N 440.565 5.196 5 40 IKBB O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907209 MTCPCMAQCCZUPA-UDWIEESQSA-N 427.287 5.759 5 40 IKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc(OCc2ccccc2)c1 2058380 MLVGKMGIDNYDQH-MTJSOVHGSA-N 434.835 5.172 5 40 IKBB O=[N+]([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 2761134 UTHLLCNKRVYONB-UHFFFAOYSA-N 448.276 6.274 5 40 IKBB COc1cc([N+](=O)[O-])c(CSc2nc(-c3ccc(F)cc3)cs2)c(OC)c1OC 8815704 PPCGUDNJDZRTBH-UHFFFAOYSA-N 436.486 5.176 5 40 IKBB CC(C)N(CCNc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-])C(C)C 13063256 RUROJCPODVXIJW-UHFFFAOYSA-N 434.540 5.531 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1[N+](=O)[O-] 21579130 MYMLFEMCMJUHFF-UHFFFAOYSA-N 433.420 5.063 5 40 IKBB Cc1ccc(S(=O)(=O)c2nc(SCc3ccc([N+](=O)[O-])cc3)sc2Cl)cc1 57291947 PZWRBUYDYVMUQA-UHFFFAOYSA-N 440.955 5.138 5 40 IKBB C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 96002271 YPNIIVKQXPNZOE-ILIIHFCPSA-N 442.519 5.481 5 40 IKBB COc1ccc(OC)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 225668430 LHSHALYYMSVXHZ-HAFIMRKLSA-N 432.476 5.030 5 40 IKBB O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409212166 PSFZPWHRTRFETH-LDADJPATSA-N 425.853 5.280 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2C)cc1[N+](=O)[O-] 831365 KKINRPOZKBTHOH-UHFFFAOYSA-N 448.298 5.050 5 40 IKBB CC(C)CCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2442839 XGWUBYLZRIUSIU-UHFFFAOYSA-N 429.951 6.864 5 40 IKBB CCOc1ccc(C(=C(Cl)Cl)c2ccc(OCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3013970 IISHFYPYBUKSSR-UHFFFAOYSA-N 427.240 5.495 5 40 IKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 8903196 ZTLZZVDCMPUNBT-UHFFFAOYSA-N 433.873 5.067 5 40 IKBB Cc1ccc([C@@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2)cc1 20482664 VHKIPLDPHDDEDJ-CGOMHOPZSA-N 448.522 6.350 5 40 IKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229380 GVPKGKSGUROQEF-NSHDSACASA-N 442.730 6.186 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1 214046681 GGYZUNYAGRACAI-YBFXNURJSA-N 440.864 5.745 5 40 IKBB Cc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] 408802593 ZFMOAENOFBZBOT-BGFDVPSISA-N 436.557 5.957 5 40 IKBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 781460 MBPLVDOPENOPKV-UHFFFAOYSA-N 428.448 5.017 5 40 IKBB Cc1cccc2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccc(F)cc3)nc12 869021 HNCLJPVWFXSCBC-UHFFFAOYSA-N 448.479 5.383 5 40 IKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1cccc(Cl)c1 2055854 SEVYGTXKGDDXHV-UHFFFAOYSA-N 441.827 5.520 5 40 IKBB aggregator Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccc(C(C)(C)C)cc3)nc21 2339709 YAXXXCSISIMVPI-UHFFFAOYSA-N 435.527 5.202 5 40 IKBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9215706 YUATVIBXBPIBKZ-CVDCTZTESA-N 449.850 5.219 5 40 IKBB COc1ccc2c(c1)CN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H](c1ccccc1)C2 97164733 HJWSPKDYEYUTTQ-QHCPKHFHSA-N 431.492 5.552 5 40 IKBB COc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1[N+](=O)[O-] 1514407 AWQHGZMRYDFEAO-UHFFFAOYSA-N 439.427 5.817 5 40 IKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(Cl)c1 1849712 QIMBTUMLWDPFFN-UHFFFAOYSA-N 439.854 6.911 5 40 IKBB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 4787272 SVROFGCYNSUQJB-JOCHJYFZSA-N 432.480 5.109 5 40 IKBB O=C(c1ccccc1)N1c2ccccc2N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 8451921 HBAHQTCWTSXOMU-MHZLTWQESA-N 447.494 6.507 5 40 IKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c([N+](=O)[O-])c1 12617037 KOUPVPAISOMIOQ-HSZRJFAPSA-N 446.503 5.738 5 40 IKBB Cc1nc(-c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cs1 14729765 ICRFBLHJHFPICZ-UHFFFAOYSA-N 425.513 5.225 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 15945742 TVPAJBMMJAALFB-WLRWDXFRSA-N 443.525 5.355 5 40 IKBB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538738 LZTWYKLYWPLEBL-INIZCTEOSA-N 446.931 5.503 5 40 IKBB O=[N+]([O-])c1ccc2c(O)c(-c3cccc(-c4[nH]c5cc([N+](=O)[O-])ccc5c4O)c3)[nH]c2c1 3844965 QMJOKZRQIFEBLL-UHFFFAOYSA-N 430.376 5.211 5 40 IKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4cccs4)cnc32)c1 6150839 DCRJAQMPBNBJER-UHFFFAOYSA-N 437.528 5.010 5 40 IKBB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1[N+](=O)[O-] 8974205 WILUBHDNWAGVFQ-UHFFFAOYSA-N 436.489 5.482 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)c1 9011995 SBYVUADLHRAMKN-HHHXNRCGSA-N 432.483 6.179 5 40 IKBB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc2c(ccc3ccccc32)oc1=O 9434144 QLAXBCAKUFGZSR-UHFFFAOYSA-N 448.503 6.475 5 40 IKBB Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1cccc([N+](=O)[O-])c1 12654151 XZYLSFKBIPOEHR-UHFFFAOYSA-N 442.504 5.198 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 408558638 SAPXKBFXRONSJS-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1C 408824410 QBQQBLGYBFRXHH-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2256724 UHOOYNSRECWTKW-UHFFFAOYSA-N 443.938 5.669 5 40 IKBB Cc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 15980755 HQAZTHJPMCKVKD-OAQYLSRUSA-N 430.489 5.319 5 40 IKBB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1C 409112370 BPXBWKYYAYKPEV-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB Cc1nn(Cc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 1049782 OJEFVBRXYHEHFI-UHFFFAOYSA-N 438.572 5.564 5 40 IKBB Cc1cccc(Oc2cc(NC(=O)C(c3ccccc3)c3ccccc3)cc([N+](=O)[O-])c2)c1 3079287 WDUPNYJSDGJENY-UHFFFAOYSA-N 438.483 6.466 5 40 IKBB O=C(Nc1ccc(Cc2ccncc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223426138 LXTPTJUXLDCDIU-LGUFXXKBSA-N 435.483 5.760 5 40 IKBB CCCCN(CCCC)C[C@H](O)c1cc2ccccc2c2cc(Br)ccc12 1591929 XSISGFFJTRRMHN-DEOSSOPVSA-N 428.414 6.691 5 40 IKBB CC(C)c1ccc([C@@H]2OCc3ccccc3N2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1901437 QAWGFUMIWMGKGK-JFKODZOBSA-N 428.488 5.994 5 40 IKBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 8935026 RMGFKDJQJHLHGE-USXZWKKNSA-N 448.478 5.018 5 40 IKBB CCCC(=O)Oc1cn(-c2ccc(OC)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9242717 NYBHAFBNEHAGAZ-UHFFFAOYSA-N 442.519 5.493 5 40 IKBB Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)cc1[N+](=O)[O-] 58140876 ONALADHSCPKMQJ-UHFFFAOYSA-N 430.439 5.206 5 40 IKBB CCCCN1C(=O)c2c(Oc3ccccc3Cl)cc([N+](=O)[O-])cc2Oc2ccccc21 3619625 AGULPWJSPMRDHN-UHFFFAOYSA-N 438.867 6.593 5 40 IKBB O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1 36092279 UQJOWOWBSOWFNQ-JYRVWZFOSA-N 448.276 6.263 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223114730 XAQHRQLPNRXXLR-XZOQPEGZSA-N 448.548 5.555 5 40 IKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409021149 YICKYYYJNULQKI-SGEFVQMOSA-N 443.437 5.130 5 40 IKBB CCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 409108420 SZIPRABWUAQCSX-UHFFFAOYSA-N 442.850 6.087 5 40 IKBB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 1772034 GLXAOPJSVTVKGL-RUZDIDTESA-N 434.923 6.383 5 40 IKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 9191573 PAKJRBWARRZFAJ-UHFFFAOYSA-N 427.247 5.697 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 22321863 JAJDLBHRFAQWTA-UHFFFAOYSA-N 449.429 5.512 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223368498 MXQMVAMACHJYSN-VXKWHMMOSA-N 446.488 5.016 5 40 IKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771606 VQQMQLYCQZJDBM-SFHVURJKSA-N 448.519 5.612 5 40 IKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 59417220 OWEGOEKVTDLUMD-UHFFFAOYSA-N 436.773 6.312 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)cc1 408559637 ALXFPYPLFUHUGM-GYHWCHFESA-N 443.956 5.800 5 40 IKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408633714 LQVYYGSOBKRMCZ-ODLFYWEKSA-N 438.417 5.222 5 40 IKBB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 409120082 XVLYOHQEWLAERT-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 409240341 GSGILFWMAKJHHV-MHWRWJLKSA-N 444.230 5.259 5 40 IKBB CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 9199682 YXGUNRWTCSDDFB-UHFFFAOYSA-N 445.932 5.062 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] 16693031 DOONXMPVSAVVMY-UHFFFAOYSA-N 430.416 5.019 5 40 IKBB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccc(F)c([N+](=O)[O-])c2)n1 40556472 DRLNUOVXXFDBEB-UHFFFAOYSA-N 435.506 5.351 5 40 IKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106717236 MOXXZDHDHTWIKM-CHHVJCJISA-N 443.695 5.792 5 40 IKBB Cc1cccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CSC3)c1C 3008337 BJPWDDZUFKYFFC-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB COCCCn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 9540355 HNZRSFVAARVOOH-UHFFFAOYSA-N 439.324 5.348 5 40 IKBB COc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2n1 16392586 BWRQNQBBLPNQKA-UHFFFAOYSA-N 433.851 5.724 5 40 IKBB CCCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225565217 HZXBMECURJPPBX-UHFFFAOYSA-N 426.513 5.077 5 40 IKBB Cc1cc(=O)oc2c(C3=Nc4ccccc4N[C@@H](c4cccc([N+](=O)[O-])c4)C3)c(O)ccc12 688097 JJAZVRHJPMILFR-HXUWFJFHSA-N 441.443 5.393 5 40 IKBB O=C(Oc1cc(-c2ccc([N+](=O)[O-])cc2)c2oc(=S)sc2c1)c1ccc(Cl)cc1 15218741 NEVCUGNCRSNUGS-UHFFFAOYSA-N 443.889 6.672 5 40 IKBB CCOC(=O)c1c(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)sc2c1CCCC2 100087599 IVAAWRPSHHFWIY-VYIQYICTSA-N 446.528 5.034 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 223368283 BXKHEYFHFMCZSL-VXKWHMMOSA-N 446.488 5.016 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3c4sc(O)nc4S[C@H]4[C@H]5CC[C@@H](C5)[C@@H]43)o2)cc1 329779355 ZVGLNIAISAECNX-CIIZFGMBSA-N 426.519 5.669 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(Br)cc3)c12 2440221 VKWIIUJGCWHMIR-UHFFFAOYSA-N 432.321 5.888 5 40 IKBB CC(=O)Nc1ccc2nc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)sc2c1 9482524 ATGOFEXAYAKFLN-UHFFFAOYSA-N 446.897 5.283 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 19643275 VDVYTHSDPIFYAT-INIZCTEOSA-N 445.475 5.934 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] 59463584 GSVCGKXJLCSQSO-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408843515 LVNURWPRYHJXMN-UHFFFAOYSA-N 441.848 5.277 5 40 IKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409177864 JVSHWTCCRUNVES-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(=O)OC)C1 2084011 WLWHGPKMUQGFGK-HNNXBMFYSA-N 444.553 5.545 5 40 IKBB CC(C)c1ccccc1-n1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 3443444 WSNLDCFKHUJORV-UHFFFAOYSA-N 431.521 5.653 5 40 IKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1sc2cc(Cl)ccc2c1Cl 39755617 YXGWTKDPIGPVAO-UHFFFAOYSA-N 435.248 5.419 5 40 IKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 408683694 NIBXEALGXSQZPW-HHHXNRCGSA-N 447.494 6.507 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2260098 ZWKTYBMIVLHELP-UHFFFAOYSA-N 439.563 5.599 5 40 IKBB Cc1ccc(-c2nn(-c3cc(N4CCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C 6280464 AFNXRCRNHQNNGG-UHFFFAOYSA-N 440.503 5.178 5 40 IKBB COc1ccccc1N(C(=O)c1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13071875 RYJJLALOEITELB-UHFFFAOYSA-N 445.500 6.014 5 40 IKBB COc1ccc(-c2ccc(/C=C3\SC(=N)N(c4cc(C)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 59639196 XBPQYJNKOLEROE-QNIYZRLESA-N 449.488 5.536 5 40 IKBB Brc1ccc(/C=C\c2ccc3ccc4ccc(Br)cc4c3c2)cc1 68569300 ADIWSIXCLUZBGI-UPHRSURJSA-N 438.162 7.688 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)c1 100964692 WSFCLRCGKYKQLH-GKVSMKOHSA-N 429.451 6.363 5 40 IKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 2051913 ALGCUXLZFLGUOQ-UHFFFAOYSA-N 432.392 5.180 5 40 IKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2256794 YDHRNPJCTVQZPF-CQSZACIVSA-N 431.927 5.276 5 40 IKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 9056849 DASDSDHCHCSSRL-UHFFFAOYSA-N 427.460 5.688 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc(F)cc2)no1 9447584 VMLUGUQCUZPCES-OAQYLSRUSA-N 426.403 5.132 5 40 IKBB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cc(Cl)ccc1[N+](=O)[O-] 32903638 KKABAIULMMMTPI-UHFFFAOYSA-N 442.711 5.855 5 40 IKBB Cc1ccc(-n2nc(C)c(/C=C/c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(C)c1 408997400 OFOFYHHFSRXJEJ-VOTSOKGWSA-N 437.412 5.001 5 40 IKBB COc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 992802 JUGULPFNFSTFHW-UHFFFAOYSA-N 435.435 6.266 5 40 IKBB COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)c(OC)c1 13956071 QOQFAFUGOAELAQ-UHFFFAOYSA-N 429.432 5.080 5 40 IKBB COc1ccc2c(c1)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C=C2C 2269122 USYPQEPYQONVSS-UHFFFAOYSA-N 442.924 6.314 5 40 IKBB Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3cccc(C)c3C)c(=O)[nH]c2c1 9428259 AHMFPXWWLDHDLD-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223110828 LOMZHUWXFJCMNE-XZOQPEGZSA-N 447.564 5.086 5 40 IKBB CCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 3769212 KJNMIAGTOMFZOZ-HYARGMPZSA-N 448.500 5.773 5 40 IKBB Cc1nc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc(C)c1C 12599432 XCZSSQMCARYXBP-IBGZPJMESA-N 442.928 5.436 5 40 IKBB CCCCn1c(=N)c(-c2nc(-c3ccccc3)cs2)cc2c(=O)n3cccc(C)c3nc21 102622076 FNIPCDKNKXPYEY-UHFFFAOYSA-N 441.560 5.028 5 40 IKBB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 224904372 OPVSLBDUAHTIBJ-UHFFFAOYSA-N 429.432 5.486 5 40 IKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677819 BQXYQNIKSOMPKQ-UHFFFAOYSA-N 432.520 6.377 5 40 IKBB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 408560142 CDMIMRPZYQIHIU-UHFFFAOYSA-N 427.791 5.643 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408560932 FSWQCPVHQPUBHQ-GYHWCHFESA-N 443.956 5.800 5 40 IKBB Clc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1 2186851 GACATJFWKCJLBL-UHFFFAOYSA-N 444.759 8.138 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ncc(C(F)(F)F)cc1Cl 3128166 KAKQJJPBIQFZAY-UHFFFAOYSA-N 447.700 5.740 5 40 IKBB CC[C@H](C)n1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 3399122 HYZQDTKEQMSWOZ-NSHDSACASA-N 449.985 6.021 5 40 IKBB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 8837185 YWKNKDYTINZIOA-LADGPHEKSA-N 449.894 5.889 5 40 IKBB Cc1csc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 12643558 MRPFJJIOSDJSOZ-GDNBJRDFSA-N 436.518 5.539 5 40 IKBB Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)c(-c2ccccc2)o1 59432073 MMWBHLIHBIWZSW-OAHLLOKOSA-N 439.899 5.168 5 40 IKBB O=C1S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 409199207 BTSHAHLHSTVGSB-MKMNVTDBSA-N 429.668 5.796 5 40 IKBB O=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 3117641 FZJDWNRMUHNIIV-UHFFFAOYSA-N 441.164 5.433 5 40 IKBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3372597 QQPWIUNNSIZSDE-CCEZHUSRSA-N 427.485 6.037 5 40 IKBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 9019590 BHEHOUAICVJBBC-OAHLLOKOSA-N 434.883 5.137 5 40 IKBB CCCCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 14269549 ONFRFAKKJOMBMJ-UHFFFAOYSA-N 440.569 5.055 5 40 IKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 408755895 GFDDJRPQVYIHAX-UHFFFAOYSA-N 443.846 5.946 5 40 IKBB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1 8765732 KZCCREGWRDGWAH-CQSZACIVSA-N 428.510 5.293 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=C2/SC(=S)N=C2O)cc1 15011920 QCXRNDONRDCAOU-VGOFMYFVSA-N 426.397 5.735 5 40 IKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(C)c1OCc1ccccc1 225508355 UYFYHMDMVZQILK-UHFFFAOYSA-N 444.531 6.241 5 40 IKBB O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363299 MOCITRSFOIDERM-UHFFFAOYSA-N 448.887 6.951 5 40 IKBB O=Cc1cc(Br)c(OCc2c(Cl)cccc2[N+](=O)[O-])c(Br)c1 1440512 IKCTZKVSYPTISU-UHFFFAOYSA-N 449.482 5.165 5 40 IKBB CCCCCN(CCCCC)[C@@H](C)[C@@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 1873695 RHLVJTLVOMZERR-CCLHPLFOSA-N 426.044 7.751 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1Cl 2252915 AVGBHGJPBXHBNX-UHFFFAOYSA-N 431.927 5.210 5 40 IKBB O=[N+]([O-])c1ccccc1Oc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12 2650042 WTDSRWOVCIHSAX-UHFFFAOYSA-N 446.532 6.045 5 40 IKBB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 9441626 ITQLVJCMFBITGL-UHFFFAOYSA-N 440.500 5.473 5 40 IKBB COc1ccc(-c2nc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])[nH]c2-c2ccccc2)cc1 13552073 BAVIMTDZZJRESY-UHFFFAOYSA-N 431.448 5.345 5 40 IKBB COC(=O)c1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1 79476689 QHGWRMQRPDJESR-UHFFFAOYSA-N 431.448 5.085 5 40 IKBB O=[N+]([O-])c1cccc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1 3308568 RKOBLPAUERNGIX-UHFFFAOYSA-N 443.450 6.304 5 40 IKBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 4014471 ILQOSNAKRMRPJX-UHFFFAOYSA-N 426.816 5.021 5 40 IKBB CCC[C@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@H](CC)c1ccccc1 4900990 OICXZJZJTBTPPS-GJZUVCINSA-N 432.520 7.033 5 40 IKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 12777563 AFNMGUNZRHYSPI-ZDUSSCGKSA-N 448.306 5.709 5 40 IKBB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)no2)cc1 61997088 UDHPRURCGSDGJF-UHFFFAOYSA-N 449.385 5.700 5 40 IKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)cc1 226068776 ARLSSVJQPUGYSM-HSZRJFAPSA-N 443.608 5.325 5 40 IKBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C(C)(C)C)c1 226071205 AUVQFRZFKKORQZ-HSZRJFAPSA-N 426.621 5.323 5 40 IKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)c1 409101850 WVQONLYHSTXPSG-UHFFFAOYSA-N 440.887 5.927 5 40 IKBB O=c1c2ccccc2oc2nc(-c3ccccc3Cl)n(CCc3ccccc3)c(=O)c12 2241044 NCJNSNRSDRXJQR-UHFFFAOYSA-N 428.875 5.066 5 40 IKBB Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c(C)c1 2751223 MAAAKEHVUPWMMW-UHFFFAOYSA-N 433.463 6.874 5 40 IKBB O=[N+]([O-])c1cc(Oc2ccc3oc4ccccc4c3c2)cc(Sc2ccc(Cl)cc2)c1 3139338 JFGBBLWXAPXYIR-UHFFFAOYSA-N 447.899 8.091 5 40 IKBB Cc1ccc(-c2nn3c(=O)c4cc(-c5ccccc5)sc4nc3c3ccccc23)cc1C 3238049 UERMWSGFBCKJQV-UHFFFAOYSA-N 433.536 6.408 5 40 IKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2ccccc2)cc1 44086553 NBKRMLSCKSORGI-UHFFFAOYSA-N 444.516 5.487 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1nc2ccccc2[nH]1 408633720 LRYOLUYZORNGDE-ZDLGFXPLSA-N 425.397 5.088 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2418414 ZJORSYHDHJDEQY-UHFFFAOYSA-N 445.954 5.351 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-c1nc2ccccc2s1 17099750 OCSGWEPPYLGQHW-ZRDIBKRKSA-N 435.892 6.177 5 40 IKBB CC1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 13127608 AFDJGMRGXLWYBA-INIZCTEOSA-N 438.553 5.274 5 40 IKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1 16228214 QGSFLPGJRTUQFC-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB CC(C)(C)P1c2c(cccc2-c2c3ccccc3cc3ccccc23)O[C@H]1c1ccccn1 1772768974 OOWWKYOGZURVKL-IIGOATNISA-N 447.518 8.052 5 40 IKBB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 907448 ZIDKBGNYXVQJKL-UHFFFAOYSA-N 430.489 5.126 5 40 IKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccccc1 2307656 OUVFHIICQPDCKD-UHFFFAOYSA-N 437.547 5.410 5 40 IKBB Cc1ccc(Oc2ccc(COC(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1 3105633 SUJKAEJGDWOYEN-UHFFFAOYSA-N 432.259 6.359 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc2ccccc12 224307169 YCCRAVBMLUSEOL-UHFFFAOYSA-N 442.471 5.896 5 40 IKBB Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409097551 GXXFXQCBUWEDBQ-OYKKKHCWSA-N 441.512 5.992 5 40 IKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1C 409197535 ICALAIIGCKVKHV-QPLCGJKRSA-N 443.528 5.687 5 40 IKBB C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Cl)cc4)n32)C1 2201445 FPQMOILYAKPOKX-NSHDSACASA-N 440.985 5.057 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2CCC1=CCCCC1 2428393 RPMJDFCLALJQQA-UHFFFAOYSA-N 429.568 5.539 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1sc2cccc(Cl)c2c1Cl 8385825 BBXOACSQECFGEV-UHFFFAOYSA-N 435.210 6.387 5 40 IKBB Cc1ccc(Oc2cc3oc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 8837085 HUROTSDKOZBWAB-UHFFFAOYSA-N 433.463 6.350 5 40 IKBB CCCC(=O)Oc1cn(Cc2cccs2)c2nc(CCC)n3c4ccccc4nc3c12 9243040 QQZYVILTDNXUOF-UHFFFAOYSA-N 432.549 5.605 5 40 IKBB Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n(CC(C)C)c1C 9731147 PVYCEJPGRKZYCK-ZDUSSCGKSA-N 444.479 5.202 5 40 IKBB O=C(Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1)c1ccc([N+](=O)[O-])cc1 16741980 ATQYBRFNSBZMDG-UHFFFAOYSA-N 427.821 5.302 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 39571621 IHTDJXVDCPPMOO-SECBINFHSA-N 434.823 5.395 5 40 IKBB Cc1ccc(-c2csc(-n3c(NC(=O)c4cccc([N+](=O)[O-])c4C)cnc3C)n2)cc1 41124336 UPWHODYOVIDOQR-UHFFFAOYSA-N 433.493 5.082 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2o1 408633421 KLRPVUFNFUUDFE-ZDLGFXPLSA-N 442.836 5.867 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)cc2)c1 408696216 XUEPWEVBOKTVMG-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB COc1cc(CNc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409181213 ZDUNOPCBGKZHTN-UHFFFAOYSA-N 429.816 5.569 5 40 IKBB O=C(c1ccccc1Cl)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 687082 HSUUFCQWUDCHLN-HSZRJFAPSA-N 431.879 5.517 5 40 IKBB biogenic,in-vitro O=c1c2c3nc4ccccc4nc3n(-c3ccc(F)c(Cl)c3)c2ncn1C1CCCC1 2250882 HLOOYGRMCCHYQL-UHFFFAOYSA-N 433.874 5.191 5 40 IKBB CC[C@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 2333850 GGVFFOUQOSRUOO-IRXDYDNUSA-N 439.563 6.077 5 40 IKBB CCCCOc1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 8871244 CFBMTLGGRIUEBL-UHFFFAOYSA-N 428.492 5.239 5 40 IKBB C[N+]1(Cc2ccc3ccccc3c2OC(=O)c2ccc(Br)cc2)CCCCC1 13475832 HPTIOFGEGSVLLX-UHFFFAOYSA-N 439.373 5.952 5 40 IKBB Cc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463632 HDTCOYNITSSEOV-UHFFFAOYSA-N 443.528 6.563 5 40 IKBB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225536494 UMDPZKHSMWQOPY-UHFFFAOYSA-N 430.504 6.014 5 40 IKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC 225756835 JTCVKMNSQONNKH-UHFFFAOYSA-N 440.496 5.011 5 40 IKBB Cc1cccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)c1 408609718 OMDFNLACPJRTRV-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408827920 LBBJHGRZFFVXDX-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 1205833 BZISGYMOSKXVAH-XMMPIXPASA-N 447.491 5.159 5 40 IKBB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2254599 XWPQDNGLMNTEQV-LLVWBFNDSA-N 440.543 6.438 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904093 NLXHLPLLDBPSGL-NTUHNPAUSA-N 428.872 5.390 5 40 IKBB COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1c1cc(C)on1 11614348 LMYQUNLKPMIVAM-QFIPXVFZSA-N 438.439 5.001 5 40 IKBB Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20142664 LTXALENAZOWVPU-UHFFFAOYSA-N 449.507 5.144 5 40 IKBB CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 223020258 QCXYIXHKEDHHLO-SJRDFNEDSA-N 440.543 6.282 5 40 IKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 408560655 DUTJDZFWJMUZCK-QOCHGBHMSA-N 436.320 5.501 5 40 IKBB CCCC(=O)Oc1cn(Cc2ccc(C)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9243481 KNVUKONQZLWCRV-UHFFFAOYSA-N 440.547 5.852 5 40 IKBB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 9729265 NBHAZTDPHJKVIX-LLVKDONJSA-N 449.945 5.271 5 40 IKBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])ccc1Cl 408526837 BTJDPGMWWNOENY-UHFFFAOYSA-N 447.834 5.717 5 40 IKBB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc12 408917362 RYRPLSRRZJEKBV-FYJGNVAPSA-N 434.473 5.383 5 40 IKBB COc1ccc(OC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408974519 AUHPFMKDELZPSN-UHFFFAOYSA-N 432.439 5.107 5 40 IKBB S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)Nc1cccc2ccccc12 408996391 DJOGHDITDRIQMD-UHFFFAOYSA-N 438.512 5.516 5 40 IKBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 2067429 ZYBUBZXMOUFNQY-UHFFFAOYSA-N 432.392 5.180 5 40 IKBB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064644 NGHGOFKRACKFPD-INIZCTEOSA-N 440.569 5.225 5 40 IKBB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 9729263 NBHAZTDPHJKVIX-NSHDSACASA-N 449.945 5.271 5 40 IKBB O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4)n3Cc3ccccc3)c[nH]c2c1 59489571 CHAPUOYKVKMVCP-UHFFFAOYSA-N 441.516 5.675 5 40 IKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Oc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)c1 95470959 IGXLZDJLLYAGSY-UHFFFAOYSA-N 438.439 5.958 5 40 IKBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)CC1 409347092 OGILFJJVCDOABJ-HZHRSRAPSA-N 444.556 5.288 5 40 IKBB Cc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1C 2214263 BLOVEGZCRLWIHD-UHFFFAOYSA-N 440.547 6.128 5 40 IKBB Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(F)c2)c1Sc1ccccc1[N+](=O)[O-] 2718597 JAJFFCZCOCOISD-UHFFFAOYSA-N 429.473 5.364 5 40 IKBB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc([N+](=O)[O-])cc1 3242325 NZBUWQWGYXEHQO-UHFFFAOYSA-N 435.530 6.064 5 40 IKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758795 PGRKJDDEUNIWAZ-OLSNINGUSA-N 431.661 6.993 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 17099483 CNLVCVYTYSJHEP-SDNWHVSQSA-N 435.439 6.208 5 40 IKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 30945799 YFXZSWRFKYQODD-UHFFFAOYSA-N 442.730 5.406 5 40 IKBB Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)nc2c1 33590762 DCUPGOCABSKAIW-GFCCVEGCSA-N 439.522 5.022 5 40 IKBB Brc1ccc(-c2nnc(-c3cc4ccccc4n4c3nc3ccccc34)o2)cc1 1775966898 NCBTWWKIIFWQMU-UHFFFAOYSA-N 441.288 6.120 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 1011185 XZZDRPIAPZCQQN-ODLFYWEKSA-N 440.864 5.745 5 40 IKBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3cccc(C)c3C)cc2c1 16945391 CUBNBRBMBWFRSY-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408604879 FPFSKVOXUPCMMJ-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 408824453 HSBGEVDFRQROHJ-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409119626 TWJHIRHYVSFFDI-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 409178676 NSAKKKZFSWLYNC-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 8982645 JFZXKXXCWKWPBZ-UHFFFAOYSA-N 449.488 5.151 5 40 IKBB C[C@H]([C@@H](O)c1ccccc1)[N+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 16322591 MCPADCZUJLTWHH-PWEHFHGTSA-N 444.598 7.242 5 40 IKBB c1cc2ccc1CCc1ccc(c3c1ccc1c4ccc(c13)CCc1ccc(cc1)CC4)CC2 68568377 GDFSGVVAPNOFRU-UHFFFAOYSA-N 438.614 7.761 5 40 IKBB biogenic O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 102975528 DXOTZYWODPHRBY-OAQYLSRUSA-N 440.286 5.986 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 103458757 UJRLGRNFSALBKI-YRPOYHMTSA-N 443.297 5.383 5 40 IKBB Cc1cc(C)c2nc3sc4c(SCC(=O)NCc5ccccc5)ncnc4c3cc2c1 1327808 JOHBUEOVJKDNAG-UHFFFAOYSA-N 444.585 5.418 5 40 IKBB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769216 VDRXLUPUFVGVNN-HYARGMPZSA-N 446.484 5.410 5 40 IKBB O=[N+]([O-])c1cccc(-c2cn(-c3ccccc3)c(SCc3nnc(-c4ccco4)o3)n2)c1 9466420 NLIJJYIDQZOWMC-UHFFFAOYSA-N 445.460 5.383 5 40 IKBB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9499317 LBUALCMGLOQKAG-JTQLQIEISA-N 429.845 5.202 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 16610811 DQMAFTLRCCLWQP-CQSZACIVSA-N 449.894 6.822 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223368345 MXQMVAMACHJYSN-FGZHOGPDSA-N 446.488 5.016 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 16610794 UNBDHOHWJQLVBC-OAHLLOKOSA-N 429.476 6.477 5 40 IKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)Nc1cccc2ccccc12 33745072 XGVVYHZWJNUSDW-UHFFFAOYSA-N 436.565 6.960 5 40 IKBB O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl 37258176 OUJSBPXCOCNVOQ-UGKGYDQZSA-N 440.286 6.144 5 40 IKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)o2)c([N+](=O)[O-])c1 71782772 BCFSXSMROJVSEI-UHFFFAOYSA-N 428.400 6.015 5 40 IKBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771527 IRXBAUSCARJHLA-UHFFFAOYSA-N 434.492 5.222 5 40 IKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc1 408823116 DRNLVORNDSXBSX-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB Cc1cccc(C(=O)OCc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 12955418 XTUASLCGIABSIZ-UHFFFAOYSA-N 436.514 6.021 5 40 IKBB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 15947758 XXWFPZVFXDJLPG-OVWNDWIMSA-N 443.912 6.123 5 40 IKBB COc1ccc(-c2ccc(C(=O)Nc3nc4cc(Cl)ccc4s3)o2)c([N+](=O)[O-])c1 16215691 LLOJBFXTEUVEKE-UHFFFAOYSA-N 429.841 5.379 5 40 IKBB O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)c1 33749172 SVNQAQAHXRRZDB-UHFFFAOYSA-N 435.343 5.098 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2cccc(C(F)(F)F)c2)s1 2063584 VHTNEISNVYDWAC-UHFFFAOYSA-N 439.418 6.227 5 40 IKBB O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cc2ccccc2o1 17099716 CRALTLHEXGVGFC-UHFFFAOYSA-N 435.823 5.499 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 19630771 PZYJWNRETQQUPD-UHFFFAOYSA-N 439.924 5.202 5 40 IKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139624 PXGFTCOVTPGAGJ-UHFFFAOYSA-N 442.880 5.776 5 40 IKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 35586207 MHHJOHJATPJNCG-UHFFFAOYSA-N 446.897 5.649 5 40 IKBB O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408925881 ROTNISPUWMSPLF-CJLVFECKSA-N 438.936 5.697 5 40 IKBB CN(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 408977738 XIQLHQPUIBGJLD-UHFFFAOYSA-N 446.539 5.713 5 40 IKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 409336595 QCROKZWXCMLMDH-XEHFDHBKSA-N 429.314 5.662 5 40 IKBB Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2F)c1Sc1ccccc1[N+](=O)[O-] 2718598 UIDRVKADZAJWTC-UHFFFAOYSA-N 429.473 5.364 5 40 IKBB Cc1c(C(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)cccc1[N+](=O)[O-] 9413992 RUUZOLNLVHWTQQ-UHFFFAOYSA-N 433.395 5.293 5 40 IKBB O=C(CN1C=C(c2ccc3ccccc3n2)[C@H](C[N+](=O)[O-])c2ccccc21)c1ccccc1 718238 SIQZXOBVXSNEFV-JOCHJYFZSA-N 435.483 5.339 5 40 IKBB O=[N+]([O-])c1ccc(Oc2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccccc2)cc1 1396776 OQZKSCVBURASJS-UHFFFAOYSA-N 425.366 6.259 5 40 IKBB Cc1cc2c(cc1C)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C[C@H]2C 1745091 QFMCXYDQNICCQV-CQSZACIVSA-N 442.968 7.012 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2cccc(Cl)c2)no1 2437142 SMXJZGRUPWGFRW-OAQYLSRUSA-N 442.858 5.646 5 40 IKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(C)cc(C)c2)cc1 8836712 ZJBYRLGXZYEDNZ-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2NC(=O)c2ccco2)cc1 32624642 RKHQJHRTVOELMI-UHFFFAOYSA-N 448.460 5.124 5 40 IKBB Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 8951514 LHNCAKKZDRLVQR-GMZGPVFGSA-N 441.531 6.203 5 40 IKBB CC1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)CC1 57313381 JNMWQKJSGQHRFX-UHFFFAOYSA-N 436.556 5.320 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1Cl 214122858 XDKHAKQNIZCSSG-YBFXNURJSA-N 440.864 5.745 5 40 IKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(/c3ccccc3)[S@](=O)Cc3ccccc3)c2c1 8651935 FKEOUYLTWWQQQK-RCGNYENJSA-N 435.530 5.512 5 40 IKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2CCC(C)C 9462497 DBYAPGQVTUBOQG-UHFFFAOYSA-N 445.954 5.351 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2cccc3ccccc23)cs1 17099737 BJQWZLSEAADCLY-PKNBQFBNSA-N 435.892 6.177 5 40 IKBB O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(OCCC2CCCCC2)cc1 199429891 UURIUHAVCJVFOT-UHFFFAOYSA-N 439.512 5.301 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] 409190505 OVYQQEHHGXHOIS-YBFXNURJSA-N 440.864 6.058 5 40 IKBB CCCC[C@H](CC)Cn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2240945 MURIGPXHCOCMPI-IBGZPJMESA-N 448.611 6.738 5 40 IKBB CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O 9216300 UNORVBVOWORAFQ-UHFFFAOYSA-N 447.443 5.780 5 40 IKBB biogenic Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 9428678 HXZLRLMLLRJXGP-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB C[C@@H]([C@@H](O)c1ccccc1)[N+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 16322589 MCPADCZUJLTWHH-HNIGKBELSA-N 444.598 7.242 5 40 IKBB CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 12485487 DKGRJUNFLHBIKJ-UHFFFAOYSA-N 442.519 5.725 5 40 IKBB O=C(NCCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 12529024 FSPGQOALLVQWCN-UHFFFAOYSA-N 443.547 5.537 5 40 IKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 12630341 AMRCNDNNJFOKKE-UHFFFAOYSA-N 441.921 6.353 5 40 IKBB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 409121867 YQBMLBSLGUJVRV-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB CCCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)CCCC3 2350108 ZHLBOHHWKRLEDV-UHFFFAOYSA-N 446.532 5.187 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 6075365 PBABKNCXISXEIG-FRKPEAEDSA-N 443.503 5.797 5 40 IKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2cccc([N+](=O)[O-])c2)N1 9086877 VZZAXRLZYUQGEY-OAQYLSRUSA-N 428.473 5.127 5 40 IKBB Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc(-c2nc3cc(C(C)C)ccc3o2)c1O 12856531 HAQIFQRVRPTIJM-UHFFFAOYSA-N 431.448 5.793 5 40 IKBB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 16401654 XGTWERLDWHUSEP-UHFFFAOYSA-N 439.034 5.264 5 40 IKBB CCc1c(-c2ccc(OC)cc2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(OC)cc1 19638233 ABYIQMQRNUFHEI-UHFFFAOYSA-N 443.503 5.753 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)o1 409128595 SHFNOPVFTUWNKT-NDENLUEZSA-N 426.494 5.780 5 40 IKBB CC(C)(C)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 1892695 DTVHHMSYEYJUFT-UHFFFAOYSA-N 444.560 6.432 5 40 IKBB C(/C=C/c1cc(-c2ccc3c(c2)OCO3)nc2ccc3ccccc3c12)=C\c1ccccc1 8426892 BVJSFUHZYAMQIX-JBZDOKMESA-N 427.503 7.510 5 40 IKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 9010163 ZVSSPOMBXDGEMG-UHFFFAOYSA-N 445.700 5.858 5 40 IKBB CCCCCCOc1ccc(-c2ccc(OCCCCCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 9678997 AIPZRXPDPPFYNI-UHFFFAOYSA-N 444.528 7.088 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 16610722 RFHVTEJLMLABIZ-MRXNPFEDSA-N 445.475 5.934 5 40 IKBB O=[N+]([O-])c1cccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1 20457232 DVEIAKHCDBENAF-UHFFFAOYSA-N 442.346 5.918 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 8434908 PFKPCOHJVHSBIL-VAWYXSNFSA-N 437.377 5.483 5 40 IKBB CC(C)CC(=O)Oc1cn(C[C@H]2CCCO2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9243621 JJWRQXYTYFVOJF-GOSISDBHSA-N 448.567 5.166 5 40 IKBB COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 12485500 JZSLCLGZXVOCKZ-UHFFFAOYSA-N 428.492 5.335 5 40 IKBB O=[N+]([O-])c1ccc(Oc2c(C3CCCCC3)cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 95793388 OIXBXXCSARZQSW-UHFFFAOYSA-N 432.345 5.159 5 40 IKBB O=C1OC(c2ccccc2Br)=N/C1=C\c1c2ccccc2cc2ccccc12 2771648 CVEQXRLSARGPPG-HMAPJEAMSA-N 428.285 6.100 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 6143774 MNVWPUCVHVLCRX-UHFFFAOYSA-N 436.258 5.851 5 40 IKBB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 21487083 HGAOZJAOOKVIBN-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)c1 408617094 BOPNYPUNAMBZKN-UHFFFAOYSA-N 433.847 6.840 5 40 IKBB CCCCCN(CCCCC)[C@H](C)[C@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 1873693 RHLVJTLVOMZERR-HRFSGMKKSA-N 426.044 7.751 5 40 IKBB O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1ccc(Br)cc1 2301566 DUEGAVQBOSKNIY-UHFFFAOYSA-N 438.237 5.867 5 40 IKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(F)cc4)cnc32)cc1 8836826 BLIAQANNDNJRPJ-UHFFFAOYSA-N 449.489 5.033 5 40 IKBB COc1ccc(Cc2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)cc1 11649119 SQDWCMDEIMVARN-UHFFFAOYSA-N 430.485 5.221 5 40 IKBB O=C(Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1[N+](=O)[O-] 17098792 WDXOEIPUMUWNRA-UHFFFAOYSA-N 434.471 5.026 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 408557118 MHPVAHRCOMVEES-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408561105 GOVNTKCPDQUPLR-LNVKXUELSA-N 429.929 5.492 5 40 IKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 975129 HNBLNFNULKWJJP-UHFFFAOYSA-N 425.444 5.553 5 40 IKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(C)c2)cc1 9309399 NUJHCXRPUDYQOL-UHFFFAOYSA-N 432.505 5.452 5 40 IKBB C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10238794 PTQYLBIULWTJJQ-MRVPVSSYSA-N 439.242 6.040 5 40 IKBB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313441 LCFYVETUCSUBDD-UHFFFAOYSA-N 449.875 6.523 5 40 IKBB O=[N+]([O-])c1ccc(N2CCCCCC2)c([C@@H]2OCCCN2Cc2ccc(Cl)cc2)c1 59490033 CJDLWDHBEVTYIW-QHCPKHFHSA-N 429.948 5.550 5 40 IKBB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225032893 AABVCWCPHSHVEB-UHFFFAOYSA-N 440.565 5.278 5 40 IKBB COc1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1[N+](=O)[O-] 408532414 XYMVCFUCQIOLAF-UHFFFAOYSA-N 443.415 5.072 5 40 IKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408577490 ZQAGPJIDXMCADN-INIZCTEOSA-N 433.302 5.136 5 40 IKBB CCn1c(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635083 YPNLZVBYPFTLIY-GZTJUZNOSA-N 444.900 5.053 5 40 IKBB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc([N+](=O)[O-])cc5)c(N)c24)CCC3)cc1 9234017 DEGZFHKJEPKEKY-UHFFFAOYSA-N 444.516 5.503 5 40 IKBB CCCC(=O)Oc1cn(CCCOC(C)C)c2nc(CCC)n3c4ccccc4nc3c12 9243444 VUPKLPZSOBFKDE-UHFFFAOYSA-N 436.556 5.310 5 40 IKBB O=[N+]([O-])c1cccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 9631786 YIQOWXYQIUPELN-UHFFFAOYSA-N 436.468 5.186 5 40 IKBB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)s2)c1C 9980994 PZSRIMJZXWRHCX-UHFFFAOYSA-N 449.945 5.191 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408569084 ISWGGSUGLTVJFM-FQEVSTJZSA-N 441.314 6.462 5 40 IKBB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 797190 BGMWPQOWWTWAFF-MHECFPHRSA-N 443.503 5.518 5 40 IKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6177317 YHUYISVJQGTNRJ-VFNWGFHPSA-N 432.436 5.095 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccccc2F)no1 13571926 CZQDWZSKJKIQSE-NRFANRHFSA-N 426.403 5.132 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 19643263 IQALVAAMIGSTBD-MRXNPFEDSA-N 445.475 5.934 5 40 IKBB Cc1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Br 408907451 OHORCJSJXFRXGN-XSFVSMFZSA-N 437.293 5.845 5 40 IKBB O=[N+]([O-])c1cc(Br)cc(Cl)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250391 JWJCQTJBBHFJIP-UHFFFAOYSA-N 432.526 6.100 5 40 IKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc2c3ccccc3ccc2c2ccccc12 1717025 SQTNIIDYSRRCTE-UHFFFAOYSA-N 449.509 6.964 5 40 IKBB in-vitro CC(C)(C)c1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc1 2323553 PKSSDEXBPZPCAH-UHFFFAOYSA-N 426.472 5.109 5 40 IKBB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959662 CMTUHBDIYJGVIQ-UHFFFAOYSA-N 426.545 5.890 5 40 IKBB O=C1N[C@@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)Nc2ccccc21 59488533 GDQQJSLWQHVUMR-IBGZPJMESA-N 434.502 5.210 5 40 IKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 408573434 SUMZUFHAARSXLA-HSZRJFAPSA-N 446.532 5.265 5 40 IKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 409176509 POXLKKNOWAWXMV-MHZLTWQESA-N 449.510 6.269 5 40 IKBB Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl 1071775 SWFZHYGVOAWADE-RTWAWAEBSA-N 443.286 5.746 5 40 IKBB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 2749744 MLNXCPPOUNMKFR-VWLOTQADSA-N 441.487 5.263 5 40 IKBB CNc1ccc(/C=C(\Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1[N+](=O)[O-] 9491677 KTUGBDPJUFLGQW-GHXNOFRVSA-N 444.925 5.400 5 40 IKBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 9829687 GKUARFUZDVVXMB-UHFFFAOYSA-N 430.898 5.161 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 408557046 LWKKKBHAYOWCGG-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C(=O)O3)sc2c1 408842029 HXSQPXFQFXREJD-NTUHNPAUSA-N 443.824 5.024 5 40 IKBB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 828358 MQUZIZPFIMYRKH-OSPHWJPCSA-N 429.476 5.128 5 40 IKBB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[C@]2(C)c1ccccc1 1808693 ITAMNBZFPSMRLS-KZOIKXMBSA-N 440.543 6.438 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Nc1ccc2ccccc2c1)c1ccccc1 3351491 RYFIOXFIHKPZDA-QHCPKHFHSA-N 431.879 6.193 5 40 IKBB O=C(CCCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 8751635 AEUKXIUDILDWPF-UHFFFAOYSA-N 445.500 5.049 5 40 IKBB O=C(Nc1cccc(F)c1)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 8974859 ZZRCUPAYDCDRCV-UHFFFAOYSA-N 446.394 5.791 5 40 IKBB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 15947762 XXWFPZVFXDJLPG-APBUJDDRSA-N 443.912 6.123 5 40 IKBB CCOc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2c(F)cc(F)cc23)cc1 20183620 CAJMJTWODBKEDP-UHFFFAOYSA-N 446.413 5.826 5 40 IKBB CCOc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352172 YWKNKDYTINZIOA-VWNXMTODSA-N 449.894 5.889 5 40 IKBB O=C(Nc1cccc(C(F)(F)F)c1)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21 4108406 KIYDBJRTFHOVFI-UHFFFAOYSA-N 429.354 5.958 5 40 IKBB Cc1cc(Cl)c(NC(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)c(Cl)c1 11692226 LTLWKSJCWNMTAI-UHFFFAOYSA-N 442.298 5.887 5 40 IKBB O=C(Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1)c1ccco1 21596013 LVOZYFYTUNBFFY-UHFFFAOYSA-N 441.852 5.561 5 40 IKBB CC(C)(C)c1ccc2c(Br)c3cc(C(C)(C)C)ccc3c(Br)c2c1 113482269 BRCYXSYTGVAPBN-UHFFFAOYSA-N 448.242 8.113 5 40 IKBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12644976 IODHHKGHLKSANB-KRWDZBQOSA-N 449.507 5.193 5 40 IKBB Cc1ccc(N2C(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3C2=O)cc1C 12651898 XMLMUBHYALSYOI-MOSHPQCFSA-N 447.878 5.505 5 40 IKBB C[C@H](c1ccccc1)N(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 48262203 WXUXJXVJKQZWOQ-HXUWFJFHSA-N 429.520 5.606 5 40 IKBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccs1)c1ccc(F)cc1 48311370 WWCLAGKACLKUID-UHFFFAOYSA-N 439.512 5.245 5 40 IKBB Brc1ccc2ccc3ccc4ccc5ccc(Br)cc5c4c3c2c1 68569442 IBPJSVZXULFVDN-UHFFFAOYSA-N 436.146 7.824 5 40 IKBB biogenic O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 72229378 LYPGKMOFHIWSJG-UHFFFAOYSA-N 428.703 5.798 5 40 IKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] 72229382 CLKIVDMOYAVGRF-NSHDSACASA-N 442.730 6.186 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 100170555 BROKIVHSCGTOFC-UHFFFAOYSA-N 445.391 5.730 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)C 224235556 ZGFYGDTXVNJTHL-UHFFFAOYSA-N 434.492 5.867 5 40 IKBB O=C1CS[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1c1ccc(Cl)cc1 408557841 QFBUSTMYCBERFT-QFIPXVFZSA-N 440.908 5.606 5 40 IKBB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 408735248 OYCJNVYPXVJXHJ-UHFFFAOYSA-N 437.477 5.177 5 40 IKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409179321 ORFMHPNHEHVPRW-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1OC 3254310 QOWRAKXTDTWOMQ-UHFFFAOYSA-N 448.504 5.152 5 40 IKBB CCCCN(CCCC)C[C@@H](O)c1cc2ccccc2c2cc(Br)ccc12 5973432 XSISGFFJTRRMHN-XMMPIXPASA-N 428.414 6.691 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)c1 6143797 PQOPDQFKIJWUCZ-UHFFFAOYSA-N 436.258 5.851 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C(F)(F)F 13550419 UUSANRWUJCUWDD-OUKQBFOZSA-N 437.377 5.483 5 40 IKBB COc1ccc(C(=O)Nc2cccc(/C=C/c3nc4ccc([N+](=O)[O-])cc4s3)c2)cc1 14358989 QBHQKTQKDYTRNW-LFYBBSHMSA-N 431.473 5.636 5 40 IKBB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 797189 BGMWPQOWWTWAFF-HOYKHHGWSA-N 443.503 5.518 5 40 IKBB Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 9892099 BIAJQDOOXVEEJV-JXMROGBWSA-N 433.851 6.017 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3n2)cc1 9948861 PXAGMQPAYWQAPY-UHFFFAOYSA-N 428.370 5.332 5 40 IKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4cc5ccccc5nc4O)[nH]c3c21 1547212365 XMNPWYNSTWDIDO-UHFFFAOYSA-N 429.479 7.153 5 40 IKBB biogenic Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 853577 PDWOJWMJBSJQTL-UHFFFAOYSA-N 425.282 5.513 5 40 IKBB COc1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccc([N+](=O)[O-])cc3)CC2(C)C)cc1 1780950 PVPMVTRPFTTZSM-AREMUKBSSA-N 430.504 5.739 5 40 IKBB CC(C)(C)c1cc(-n2c(-c3cccnc3)nc3ccc([N+](=O)[O-])cc32)cc(C(C)(C)C)c1O 8425671 DSEPTAAXWYVSDB-UHFFFAOYSA-N 444.535 6.296 5 40 IKBB O=[N+]([O-])c1ccc2[nH]c(CCCCCCCCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1 13476347 MMJTYUZXDNWWBR-UHFFFAOYSA-N 436.472 5.381 5 40 IKBB Cc1cc([C@@H](O)CN(CCC(C)C)CCC(C)C)cc2c1ccc1cc(C(C)C)ccc12 1700114 VIFIKDKTFPGKQR-PMERELPUSA-N 433.680 7.852 5 40 IKBB COc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1OCc1ccccc1 9374868 XAITVDVVCHKSOG-UHFFFAOYSA-N 430.507 7.124 5 40 IKBB O=C(Nc1cccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)c1)c1ccccc1Cl 9508713 AHJYQZRLLJBYFD-DHZHZOJOSA-N 435.892 6.281 5 40 IKBB O=C(CCC1CCCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 11758401 RMUKIJZNXNECJT-UHFFFAOYSA-N 435.480 5.892 5 40 IKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1 20140693 MSRGKLXDVSGBDR-UHFFFAOYSA-N 448.431 5.176 5 40 IKBB CCCCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398702 RHWDPSOJYHIRQN-UHFFFAOYSA-N 428.319 5.198 5 40 IKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408809038 HCBUPAXUYZJBPR-UHFFFAOYSA-N 445.951 6.418 5 40 IKBB O=C(COc1cc(Cl)ccc1Cl)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 945279 OVXQMSGMMWFQGM-UHFFFAOYSA-N 431.275 5.514 5 40 IKBB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cc([N+](=O)[O-])ccc1Cl 9569377 BXIUPXODEKLQTB-UHFFFAOYSA-N 441.896 5.155 5 40 IKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1C 408569063 INYROHGRBDUIMY-GOSISDBHSA-N 437.352 5.609 5 40 IKBB CCCCSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408751189 XNKCTDWLCLNHBL-UHFFFAOYSA-N 431.495 5.047 5 40 IKBB Cc1cccc(CSCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 408922085 DXUUZJOPRSCUMT-JJIBRWJFSA-N 432.545 5.493 5 40 IKBB Cc1nn(Cc2cccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c2)c(C)c1[N+](=O)[O-] 652915 GEXQHANSLSIWMD-MRXNPFEDSA-N 434.540 5.245 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1Cl 8834536 GBJWIVBOMAGCGN-UHFFFAOYSA-N 429.911 5.361 5 40 IKBB CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2Cc1ccccc1Cl 8836059 JXPUIZYQEBEVHU-HNNXBMFYSA-N 445.954 5.530 5 40 IKBB COc1ccccc1[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C 12551332 VOBPDHVDVYBDRR-QGZVFWFLSA-N 440.809 5.211 5 40 IKBB Cc1c2c(Cc3ccccc3)nccc2c(C)c2c1c1ccccc1n2Cc1ccccc1 13208061 ZFQCKFDQNCGCBX-UHFFFAOYSA-N 426.563 7.599 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13776595 KRRGBRVVMFNRFU-WMZHIEFXSA-N 449.850 5.219 5 40 IKBB Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl 59639191 ZWOBKMUETIQUOK-AXBFJITISA-N 439.880 5.872 5 40 IKBB O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872081 IWQRTZGOOAOWNC-KYJWOALFSA-N 426.519 5.257 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 408821661 JWXDGRFZPOTVCP-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409168297 PUACZONBLJXVCD-LICLKQGHSA-N 444.230 5.259 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 409177267 GFKXYFGHJUNSER-UHFFFAOYSA-N 432.476 5.502 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 409178535 KUOVJPWKXFLUGD-HXUWFJFHSA-N 440.249 5.138 5 40 IKBB COc1c2c(cc3c1[C@H](CC(=O)C1CCCCCCCCCCC1)[N+](C)(C)CC3)OCO2 2110328 WHXJSMKZMOACSR-QFIPXVFZSA-N 444.636 5.978 5 40 IKBB biogenic CCCCCCc1cc2cc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)oc2cc1O 5220328 YIXBXBSCLHNPRF-UHFFFAOYSA-N 435.436 5.247 5 40 IKBB biogenic Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3cccc([N+](=O)[O-])c3)oc12 101392391 JMNZUXQSXXQXIR-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 226070819 NYSMTTKBGCUXNR-JOCHJYFZSA-N 443.608 5.206 5 40 IKBB O=C(c1ccccc1Cl)N(C1=N[C@H](c2ccc([N+](=O)[O-])cc2)CS1)C1CCCCC1 3249348 ICDATXLRVHCGHT-FQEVSTJZSA-N 443.956 5.867 5 40 IKBB O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nccs1 11614443 JXLMYKNNCZGKMN-IBGZPJMESA-N 444.899 5.806 5 40 IKBB Cc1cc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])ccc1C(C)C 13039682 XHHLNKNLYUANCL-UHFFFAOYSA-N 432.542 5.384 5 40 IKBB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 21595481 IVOMEBYHKVYIQD-UHFFFAOYSA-N 436.449 5.065 5 40 IKBB CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)c1 26593392 GLQPMZAENAYWCY-UNOMPAQXSA-N 444.534 5.253 5 40 IKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 33608582 FFPOQQRMASNLQN-UHFFFAOYSA-N 426.306 5.243 5 40 IKBB CC1(C)CC2=C([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C1)[C@]1(O)CC(C)(C)C[C@](C)(C2)C1 6995880 ICBQGNBHOXRZKL-NGXZDTIWSA-N 426.557 5.161 5 40 IKBB Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nc2SCC(=O)c2ccccc2)c(C)c1 9363717 ODMSPSTXWCMGJM-UHFFFAOYSA-N 443.528 6.039 5 40 IKBB Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 20238386 GYZSMPUSNSKCRO-UHFFFAOYSA-N 449.557 6.052 5 40 IKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 33606938 DCYVDYXBZINZQS-UHFFFAOYSA-N 425.872 5.751 5 40 IKBB C[C@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229388 PXYHGAJZRRYXCM-NSHDSACASA-N 442.730 6.186 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 17094598 ZTPPEUXOCYAXPX-UHFFFAOYSA-N 425.655 6.376 5 40 IKBB O=[N+]([O-])c1cc(CSc2nnc(Nc3cccc(Br)c3)s2)cs1 40146124 WPFMUZQRAGDWNB-UHFFFAOYSA-N 429.346 5.306 5 40 IKBB Cc1ccc(N(C)C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1C 408999567 WVYNCHRFOSMIDZ-UHFFFAOYSA-N 430.533 5.004 5 40 IKBB O=C(OCc1cccc2ccc3cccc(COC(=O)c4ccccc4)c3c12)c1ccccc1 1600708 USMCYEPEYOCYEO-UHFFFAOYSA-N 446.502 6.707 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3)o2)c([N+](=O)[O-])c1 10035080 YCXBXPVLJOVZQC-UHFFFAOYSA-N 440.415 5.619 5 40 IKBB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 57313511 CQISBGDDQATAIA-DHZHZOJOSA-N 427.254 5.578 5 40 IKBB COc1ccc(N(C)C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408978412 ZMXMVENLSOVBFW-UHFFFAOYSA-N 445.482 5.165 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 409197472 GJBYALXDGUFWKM-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 409385421 LOAQIRLMDYWYST-UHFFFAOYSA-N 439.802 5.688 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13779002 XCCBACCAKQHQRU-XXBNENTESA-N 449.850 5.219 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 33603071 GVPKEMPQHNBSHA-UHFFFAOYSA-N 440.333 5.552 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1 408560604 ZXDIVRZBMUPZQE-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB CCc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409113749 FHIYZDUEXIBCCY-UHFFFAOYSA-N 431.319 6.655 5 40 IKBB CCOc1ccc(-c2cc(C(=O)OCc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 409179397 MKWSVXGSZAYXMX-UHFFFAOYSA-N 428.444 5.566 5 40 IKBB Cc1cc(C)c(NC(=O)CSc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 2559116 UJHQCTQQPSFISE-UHFFFAOYSA-N 432.851 5.923 5 40 IKBB CCCCCc1ccc(OCCOCCn2cc([N+](=O)[O-])nc2C)c(CCCCC)c1 4532172 VGRFSQWYRYKZFN-UHFFFAOYSA-N 431.577 5.661 5 40 IKBB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9414079 VCYZULKDEIHMBY-UHFFFAOYSA-N 445.431 5.244 5 40 IKBB CC(C)CC(=O)Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 57313789 PATHMTGAEJKIDG-UHFFFAOYSA-N 431.901 5.700 5 40 IKBB Cc1ccc2c(c1)N(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)c1ssc(=S)c1-2 59428131 UORZPKCYHXZICA-UHFFFAOYSA-N 428.560 6.318 5 40 IKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 59434523 YNRHUKGSUFTZDE-UHFFFAOYSA-N 447.497 5.297 5 40 IKBB COc1ccc(C)cc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n1 97238166 GKDDOHTUGYXBCX-UHFFFAOYSA-N 448.298 5.050 5 40 IKBB Cc1ccccc1-n1c(=O)nc2n(-c3ccc(C(C)(C)C)cc3)c3ccccc3cc-2c1=O 1857718 DLSUEFWESVISOA-UHFFFAOYSA-N 435.527 5.247 5 40 IKBB Cc1cc(Br)ccc1N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 2119977 HWGQSXVISCFPFN-UHFFFAOYSA-N 436.305 5.682 5 40 IKBB biogenic O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1 2129863 QSAWQCVZVQQAGR-UHFFFAOYSA-N 441.395 5.054 5 40 IKBB biogenic CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 8836063 QALHFSWLEKFNBE-HNNXBMFYSA-N 445.954 5.530 5 40 IKBB C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1Cl 9117692 CXQYLEMHRONZBT-CQSZACIVSA-N 425.315 5.339 5 40 IKBB O=[N+]([O-])c1ccc(Oc2ncnc3scc(-c4ccc(Cl)cc4)c23)c2ncccc12 25424547 IRLIXOKMAXYJHZ-UHFFFAOYSA-N 434.864 6.260 5 40 IKBB CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)c(C)c1 225311620 OZXHVDLXIKHYFH-YVJFHRMNSA-N 430.504 5.720 5 40 IKBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409171517 CURNODCVXZFDMX-LICLKQGHSA-N 444.230 5.259 5 40 IKBB Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1C 409179143 NKPJDODTOFKOAU-UHFFFAOYSA-N 448.475 5.466 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 409184196 YAFSGQWOXJKUOH-UHFFFAOYSA-N 428.238 5.507 5 40 IKBB COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)[N+](C)(C)CC3)OCO2 1280429 GLCYMLMLQYKPQD-IFMALSPDSA-N 440.604 5.530 5 40 IKBB biogenic CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)c(C)nc21 2220608 VSRNSBQNSGOTEF-UHFFFAOYSA-N 439.563 5.426 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1C 2410776 IHVYDZZXMDZRBN-UHFFFAOYSA-N 425.536 5.255 5 40 IKBB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c3ccccc3cc3ccccc23)cc1 3283787 YYMFKPCUPVILIM-MRXNPFEDSA-N 426.472 5.135 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1)[C@H]1C[C@@H]1c1ccccc1 8432264 AYFWMOYCTXGBJA-YUMYIRISSA-N 441.487 5.079 5 40 IKBB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8846809 HVUMVUGABPEHJO-UHFFFAOYSA-N 447.335 5.957 5 40 IKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 13675261 AUBMSTDHZSKLNS-UHFFFAOYSA-N 434.926 5.341 5 40 IKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(CCc1ccc(Cl)cc1Cl)C3 20610124 ZXHOGAYFCMCZDH-UHFFFAOYSA-N 426.299 5.648 5 40 IKBB biogenic O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 408613055 XADBNDSDVRMXOB-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(Br)cc4)n3)o2)cc1 1454213 JNAONKJRODZQPY-UHFFFAOYSA-N 442.294 6.484 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@@H](CC)C2 2744825 DOHCVPFCVSPHOA-LLVKDONJSA-N 436.917 5.254 5 40 IKBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1Cl 9117691 CXQYLEMHRONZBT-AWEZNQCLSA-N 425.315 5.339 5 40 IKBB CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2O)c1 13940211 GLQPMZAENAYWCY-XDHOZWIPSA-N 444.534 5.253 5 40 IKBB C[C@@H](c1ccccc1)N(C)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 95931095 WZQUIEYZCMZJOB-FQEVSTJZSA-N 449.490 8.925 5 40 IKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)c(C)nc21 2246467 KGSCJRJEKXEPBT-UHFFFAOYSA-N 439.563 5.540 5 40 IKBB Cc1ccc2nc(-c3ccc(-n4c(=O)c5ccccc5c5ccccc5c4=O)cc3)sc2c1 3064873 HFAGVJDGLXSGTB-UHFFFAOYSA-N 446.531 6.089 5 40 IKBB COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1OC 3336670 CHTSXQLCFHJYHM-UHFFFAOYSA-N 438.505 5.035 5 40 IKBB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c(C)c1 102983150 QXJFRGQBRZBLMN-UYRXBGFRSA-N 447.878 5.505 5 40 IKBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408578087 SROSWFJJDGFRSK-LDADJPATSA-N 446.812 6.446 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408992682 AWJQBXWGKHPFBG-JNQIMCCTSA-N 442.518 7.372 5 40 IKBB O=C(Nc1ncc(-c2cc(-c3ccccc3)c3ccccc3c2)cn1)c1ccc([N+](=O)[O-])cc1 409179829 NULSYOHDAZLHGY-UHFFFAOYSA-N 446.466 6.124 5 40 IKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21 2240707 RAQIMSZXKZKHFM-UHFFFAOYSA-N 445.954 5.495 5 40 IKBB Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(C)cc(C)c2)c1 2284503 LSGDLBYCQBKUKT-UHFFFAOYSA-N 431.499 5.198 5 40 IKBB C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9186310 YRBNNBLTYAKEFF-CYBMUJFWSA-N 442.830 5.024 5 40 IKBB CC(C)(C)c1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 12485509 NTJKOHRIBJISIB-UHFFFAOYSA-N 432.911 5.980 5 40 IKBB Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 1829717 LHNCAKKZDRLVQR-XIEPAJJBSA-N 441.531 6.203 5 40 IKBB Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2c3c(sc2n1)CCCC3 9126333 APRBFTALIOSMAC-UHFFFAOYSA-N 448.957 5.171 5 40 IKBB COc1cc(OC)c2cc(-c3nc4ccccc4[nH]3)c(-c3cccc([N+](=O)[O-])c3)nc2c1 12623868 VSCJYLPTTZIZGV-UHFFFAOYSA-N 426.432 5.371 5 40 IKBB Cc1cc2sc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc2s1 84129187 LUKJIYJYURINJT-GFCCVEGCSA-N 439.522 5.395 5 40 IKBB CCCCN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409056775 IFJVHRAFEBRSIH-BKUYFWCQSA-N 435.505 5.434 5 40 IKBB CCOC(=O)c1c(C)cc(Nc2ccccc2)c(C(=O)OCC)c1-c1cccc([N+](=O)[O-])c1 1848679 UMVSJFBVAJFWDR-UHFFFAOYSA-N 448.475 5.667 5 40 IKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 8834554 DFLDLTVKGONSFP-UHFFFAOYSA-N 431.927 5.042 5 40 IKBB Cc1ccc(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)c([N+](=O)[O-])c1 12528973 VXNQJLFWAYFXLN-FQEVSTJZSA-N 435.530 5.985 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881182 BQHXPERLSAWDAA-UHFFFAOYSA-N 432.476 5.448 5 40 IKBB Cc1ccc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3n2C(=O)c2ccc(C)cc2)cc1 16292094 XKJLKLFJCBCUND-UHFFFAOYSA-N 431.473 5.182 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17098297 LVJRTAQTFVEVEB-WEVVVXLNSA-N 433.247 5.822 5 40 IKBB Cc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(C)cc2)cc1 51330376 FBXZCKUUXLJREK-WTGGLNGASA-N 437.543 7.013 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223361945 WXYMBGYDLHJHOZ-FCHUYYIVSA-N 446.488 5.016 5 40 IKBB Cc1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 408607297 KQCHWBVUYYVCPH-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB CCCCNC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 8648969 ZFDMAZSVXGDWNC-HXUWFJFHSA-N 430.297 6.742 5 40 IKBB CC(C)C(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(C(C)C)n3c4ccccc4nc3c12 9124605 DTEUSFPIFAFLLQ-UHFFFAOYSA-N 446.938 6.165 5 40 IKBB Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)nc2cc1Cl 16284218 UYCFRKNTXQZHPJ-UHFFFAOYSA-N 426.679 5.181 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(F)cc2)cc1 409197717 NAXCXQGUZXCJSM-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB O[C@H](c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1725684 FVVWTCZWVDUHPH-WOJBJXKFSA-N 427.388 6.206 5 40 IKBB O=C(Nc1cc(Cl)ccc1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 1737382 IGODNLDXDKHPKR-UHFFFAOYSA-N 430.458 6.473 5 40 IKBB Cc1ccc(NC(=O)c2sccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 3051026 MNARKNXVGWIBGI-UHFFFAOYSA-N 436.411 6.337 5 40 IKBB CCN(CC)c1cccc(Oc2cc(N3C(=O)c4ccccc4C3=O)cc([N+](=O)[O-])c2)c1 3146177 KUIYERZDOQFIMP-UHFFFAOYSA-N 431.448 5.034 5 40 IKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 13946128 SXWQFIUCYOEARD-UHFFFAOYSA-N 429.480 5.321 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(-c2ccc(Cl)cc2)no1 14846642 BFZZDJLQSKFJTP-UHFFFAOYSA-N 444.874 5.207 5 40 IKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 989611 YVLOVQWWDFSSIY-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@H](CC)C2 2744824 DOHCVPFCVSPHOA-NSHDSACASA-N 436.917 5.254 5 40 IKBB O=C(Nc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 8432265 AYFWMOYCTXGBJA-DXBBTUNJSA-N 441.487 5.079 5 40 IKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33788210 OXXGBHNYVTWJDH-UHFFFAOYSA-N 425.872 5.751 5 40 IKBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl 408566778 GCRJSYKUDCKPJH-QGZVFWFLSA-N 439.324 5.001 5 40 IKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 830195 MWVSYXPDLZPBOU-UHFFFAOYSA-N 425.853 5.483 5 40 IKBB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 13134680 LFTWLJNBIXROTO-CQSZACIVSA-N 437.927 6.200 5 40 IKBB CCCc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 223426546 ZMGOZGYLIGRDRW-NCELDCMTSA-N 430.504 5.283 5 40 IKBB O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 1060677 WKIWKAAWJHALEO-WQRHYEAKSA-N 426.837 5.749 5 40 IKBB O=[N+]([O-])c1cc(SCc2ccco2)c2c([C@@H]3OCCS3)nn(-c3ccccc3)c2c1 1089585 YNBDPEPSMBFDGC-OAQYLSRUSA-N 439.518 5.581 5 40 IKBB C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nc4[nH]c5ccccc5c4nc3c1)C2 10129639 ORUFTGFSKZNLJS-PMPSAXMXSA-N 430.577 5.685 5 40 IKBB O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872076 IWQRTZGOOAOWNC-YNJVXCDNSA-N 426.519 5.257 5 40 IKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107682980 GBWSVRZRJZPGNB-UHFFFAOYSA-N 446.846 5.992 5 40 IKBB Cc1cc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cc([N+](=O)[O-])c1C 408635201 YATGLAPFIRJOOV-JAIQZWGSSA-N 435.461 5.566 5 40 IKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 1302810 WDESEEIKNHOXNS-UHFFFAOYSA-N 446.846 5.503 5 40 IKBB Cc1ccc(C(=O)N2c3ccccc3-c3c(ssc3=S)C2(C)C)c([N+](=O)[O-])c1 2239757 JUXIYSNHWWATIH-UHFFFAOYSA-N 428.560 6.318 5 40 IKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 214578369 BWZASJXDICGOAO-CIAFOILYSA-N 434.473 5.708 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223368446 MXQMVAMACHJYSN-FCHUYYIVSA-N 446.488 5.016 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(Cl)c(C)c1 224208011 WROKQAFWNLIOPJ-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB CCOc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409112601 FHMHUMGWAJZFMM-UHFFFAOYSA-N 432.398 6.417 5 40 IKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1CCc1ccccc1 409203920 ZYFHERPROKNHFQ-ZHZULCJRSA-N 447.472 5.061 5 40 IKBB CC[C@@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 2333851 GGVFFOUQOSRUOO-IAGOWNOFSA-N 439.563 6.077 5 40 IKBB COc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1OC 49421465 DKMWNNBJGUOBGA-UHFFFAOYSA-N 444.422 5.305 5 40 IKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] 72229381 CLKIVDMOYAVGRF-LLVKDONJSA-N 442.730 6.186 5 40 IKBB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 226760022 JCLHLNNPKLABBW-UHFFFAOYSA-N 438.531 6.028 5 40 IKBB O=C(COc1ccc(Cl)cc1Cl)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409179491 PAWCYEYODGRPGD-UHFFFAOYSA-N 448.258 5.816 5 40 IKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(Br)cc2)cc1 409183293 RGVQWAJCXIEBCF-UHFFFAOYSA-N 442.265 5.293 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CC[C@@H](C(C)(C)C)C2 1945654 WGBCIYWINFMJIR-OAHLLOKOSA-N 444.553 5.545 5 40 IKBB Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1 12590513 OCYRBGCWLGPNQC-OAQYLSRUSA-N 432.505 5.786 5 40 IKBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 13129826 CYOZLNBDXOHVHB-UHFFFAOYSA-N 429.885 5.431 5 40 IKBB COc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc2ccccc2c1Br 17099705 SDAWLYYSJAESGU-UHFFFAOYSA-N 435.661 5.425 5 40 IKBB CCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 33701599 QARIWAACDRYMKH-UHFFFAOYSA-N 426.856 5.478 5 40 IKBB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 224922993 UNHZHCUDQPKEPK-UHFFFAOYSA-N 443.459 5.876 5 40 IKBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1C 408695267 PAPOTMNGPMHCDJ-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2030627 LVLZXCAKWDVDHT-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB CC1CCN(c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2[N+](=O)[O-])CC1 4045968 UQDWECWQIBLWLY-UHFFFAOYSA-N 438.531 6.555 5 40 IKBB COc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccccc23)cc1OC 20183567 WXXBWAMMJFIFEO-UHFFFAOYSA-N 426.432 5.166 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCSc2ccc(Cl)cc21 22141305 LHASIBORERIQEQ-IBGZPJMESA-N 434.948 5.161 5 40 IKBB Cc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 226071112 QIJQZBQZGAMTHK-GUBUMGFBSA-N 434.644 5.479 5 40 IKBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1 408693571 AGCLCETYQXBICI-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB Cc1cc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)ccc1Br 2122951 RWSKWDHOBWMBOD-UHFFFAOYSA-N 436.305 5.682 5 40 IKBB biogenic O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872103 ZVGLNIAISAECNX-LZSAZEBISA-N 426.519 5.257 5 40 IKBB O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 1392288 DUFDMXDDQOIPPS-UHFFFAOYSA-N 432.354 6.155 5 40 IKBB CC(C)(C)OC(=O)N[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 1781207 NUMZHJKDOYSNFP-JOCHJYFZSA-N 445.471 5.118 5 40 IKBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21 2250903 VNHVOXVTGDQSBM-UHFFFAOYSA-N 431.927 5.105 5 40 IKBB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 3062719 TXDZNTJMFPDHGK-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB CCOC(=O)c1c(NC=O)sc(Sc2ccccc2[N+](=O)[O-])c1-c1ccccc1 3218812 AUZANXIFMUOBSO-UHFFFAOYSA-N 428.491 5.220 5 40 IKBB COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3-c3c(ssc3=S)C2(C)C)cc1 6232761 WLDGUXJLENXUHV-UHFFFAOYSA-N 444.559 6.018 5 40 IKBB COc1ccccc1Oc1c(C)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O 9184855 XFAOUAJVVWTZFG-UHFFFAOYSA-N 433.416 5.390 5 40 IKBB biogenic Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463597 MILORNPBXZIQCI-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 409178828 NOEGBMHXDMNEES-HXUWFJFHSA-N 430.243 5.683 5 40 IKBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 409195840 QZGHLYJASQNMLF-BZZOAKBMSA-N 449.919 5.723 5 40 IKBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(Cl)cc2)n31 9292049 XGVZMVRPJZNVBC-LLVKDONJSA-N 440.985 5.057 5 40 IKBB Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)cc1 15906761 MFPQBFZIUGXAFX-UHFFFAOYSA-N 446.381 5.732 5 40 IKBB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106729161 ZLNGPYRIOSEAEL-FAPYRAKZSA-N 442.493 5.017 5 40 IKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 225860281 CIVQBTLKJSEVIM-UHFFFAOYSA-N 433.508 5.628 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O 409175270 YTAFVMBFWKDLGA-DEOSSOPVSA-N 427.412 5.235 5 40 IKBB O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 2749191 RTAIQRWVORALRO-QHCPKHFHSA-N 431.879 5.517 5 40 IKBB O=C(c1ccco1)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2ccccc2c1 8926480 ZPHXPVRQTWSWTR-UHFFFAOYSA-N 438.439 6.448 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1Cc2ccccc2[C@@H](c2ccccc2)C1 12526505 YDEFWPACSWDFEO-AREMUKBSSA-N 444.534 5.329 5 40 IKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 408786641 UJKVTJQYCVUAJM-FJWZAKCXSA-N 435.505 5.325 5 40 IKBB O=C(Nc1ccccc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409022379 MGMLINXLEYSRAC-UHFFFAOYSA-N 445.478 6.729 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1C1CCCCC1 2236726 SWJGLRQAFAXESN-UHFFFAOYSA-N 429.911 5.442 5 40 IKBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140476 MUCBKGDANKSNCY-UHFFFAOYSA-N 438.823 5.513 5 40 IKBB CN(CC(=O)Nc1cccc2ccccc12)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 23078274 KKWQLZNWBWLBIO-UHFFFAOYSA-N 437.805 5.495 5 40 IKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1 408680280 GAKIMPMPHRQRSQ-JOCHJYFZSA-N 443.908 5.345 5 40 IKBB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] 5426974 GPJDIHDLTQEECK-GUUMBNHASA-N 429.733 9.213 5 40 IKBB CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 9236582 MCUWJLFUWPABMW-VXLYETTFSA-N 446.912 5.520 5 40 IKBB Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C)c([N+](=O)[O-])c4)OC3=O)cc2)cc1 13616013 QTQKMWSVUHHWGV-XKZIYDEJSA-N 428.444 5.135 5 40 IKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 17103272 OQDLLTQBSXZNQF-UHFFFAOYSA-N 439.427 5.574 5 40 IKBB Cc1ccc(/C=C(\Cl)c2nc(=O)c3c(-c4ccccc4)c(C)sc3[nH]2)cc1[N+](=O)[O-] 21190960 IJIUVLSARFFXIB-YBEGLDIGSA-N 437.908 5.914 5 40 IKBB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595998 RRINXWHSCYQEER-UHFFFAOYSA-N 449.879 5.449 5 40 IKBB COc1ccc(OC)c(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)c1 35313252 DZIDLTYDABCVSN-UHFFFAOYSA-N 447.541 5.385 5 40 IKBB C[C@H]([C@H](O)c1ccccc1)[N@@+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 253589546 MCPADCZUJLTWHH-PAXCQZPTSA-N 444.598 7.242 5 40 IKBB Cc1ccc2c(Cl)cc(Cl)c(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1 16035421 MZURHGXOGIBYLD-UHFFFAOYSA-N 447.683 5.179 5 40 IKBB Cc1c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 36773828 XAJPABURVUWLHZ-RMKNXTFCSA-N 430.460 5.035 5 40 IKBB O=C(COC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 409180729 ZKUQBVVLMALYRE-UHFFFAOYSA-N 433.894 5.501 5 40 IKBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363388 LQLQOFPOQMJENE-UHFFFAOYSA-N 448.887 6.951 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(C)c2)c1 408694351 JJENDYWXKYDUQJ-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1986341 ZFUFKLCRLYNHIG-UHFFFAOYSA-N 430.869 5.406 5 40 IKBB CCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 9232781 ADYABEJDBJKOSD-HYARGMPZSA-N 448.500 5.773 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1N1CCCC1 12545711 ZZORMXAVXJHMTH-UHFFFAOYSA-N 431.923 5.047 5 40 IKBB O=c1[nH]c2cc3c(cc2c(-c2ccccc2Cl)c1-c1ccc([N+](=O)[O-])cc1)OCCO3 20096350 UAHWUOLLTVIUDO-UHFFFAOYSA-N 434.835 5.195 5 40 IKBB Cc1ccc(-c2nc(NC(=O)CCn3cnc([N+](=O)[O-])c3)sc2-c2ccc(C)cc2)cc1 24579864 YIXGSGMWQZQLDJ-UHFFFAOYSA-N 447.520 5.227 5 40 IKBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363336 BXWUJWUINQAECH-UHFFFAOYSA-N 448.887 6.951 5 40 IKBB COc1c2c(cc3c1[C@@H](CC(=O)C1CCCCCCCCCCC1)[N+](C)(C)CC3)OCO2 2110327 WHXJSMKZMOACSR-JOCHJYFZSA-N 444.636 5.978 5 40 IKBB biogenic Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3cccc(C)c3n2)cc1 2354760 CTEJCAKJSCKTAE-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB CCCCCCn1c(COc2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 3333347 IPRVXVJLHHAEEA-UHFFFAOYSA-N 444.532 5.777 5 40 IKBB Clc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1 3657113 YROWWMARJGDFBS-FVDSYPCUSA-N 438.939 7.749 5 40 IKBB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1 8765733 KZCCREGWRDGWAH-AWEZNQCLSA-N 428.510 5.293 5 40 IKBB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 9582036 LLAHTYJUESMKHO-UHFFFAOYSA-N 435.267 5.002 5 40 IKBB Cc1cc2nc(N(Cc3cccnc3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2cc1C 9708068 UWCJPBQALSBLPR-JXMROGBWSA-N 444.516 5.463 5 40 IKBB O=[N+]([O-])c1ccc(O[S@@](=O)N2C=Cc3ccccc3[C@@H]2c2cc3ccccc3[nH]2)cc1 13749065 UPCMVILYWUVVGU-IPBJYNAHSA-N 431.473 5.110 5 40 IKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 17096469 MMHGZTZUADDEHT-UHFFFAOYSA-N 429.480 5.232 5 40 IKBB CN(C)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 59576321 LLZKKHPXLOYYBF-UHFFFAOYSA-N 444.413 5.676 5 40 IKBB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215028490 FBXCHMSAEDBLBP-KGENOOAVSA-N 432.457 5.624 5 40 IKBB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)[N+](C)(C)CC3)OCO2 1280430 GLCYMLMLQYKPQD-RBBKRZOGSA-N 440.604 5.530 5 40 IKBB biogenic CC(C)(C)c1ccc(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 2187274 NWAXQVRCURMMEY-UHFFFAOYSA-N 431.532 7.213 5 40 IKBB C[C@@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1 4149945 OPSSAWZOAYLHQW-YFYZNPQRSA-N 438.505 5.213 5 40 IKBB Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409182304 KHDNHAPYHSZNOE-UHFFFAOYSA-N 434.448 5.158 5 40 IKBB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc([N+](=O)[O-])c(Cl)c1 655299 WXTUFBMVILRXLN-UHFFFAOYSA-N 443.699 5.250 5 40 IKBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1 19640573 ASVDQKJMCDYETM-UHFFFAOYSA-N 444.491 5.008 5 40 IKBB O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 106687855 IWHADDXGIQWEBI-ODLFYWEKSA-N 440.864 5.745 5 40 IKBB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 107741946 GYLLWWSDMJGWMK-ZDUSSCGKSA-N 439.493 5.201 5 40 IKBB O=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225537462 NOKAQCCUMOEUMK-KGENOOAVSA-N 426.394 5.471 5 40 IKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1Cc3ccccc3[C@H]21 408994895 HOYZKHHBFLHCFU-DURBRWELSA-N 441.530 7.162 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 2191483 PPHPZOHVCTZMLR-UHFFFAOYSA-N 442.699 5.460 5 40 IKBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21 2247776 SWSQLBZADKKNFH-UHFFFAOYSA-N 431.927 5.105 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(F)c1 2412731 MUKBYNWGKMSWQR-UHFFFAOYSA-N 443.526 5.620 5 40 IKBB CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 2567065 ZQOLFPVWUSEOKZ-UHFFFAOYSA-N 430.917 5.306 5 40 IKBB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)nc(O)c1ccccc12 8582204 MWPPELUBOBZLKD-UHFFFAOYSA-N 434.451 5.711 5 40 IKBB in-vitro Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3cc(C)ccc3n2)cc1 9201602 ZCILWWYULYFQNX-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB O=c1cc(CNc2ccc(I)cc2)c2c(ccc3ccccc32)o1 18937086 CYZZUIDIZZSLBD-UHFFFAOYSA-N 427.241 5.163 5 40 IKBB O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1sc2ccccc2c1Cl 9404718 CZGNMTUOHUJOFC-UHFFFAOYSA-N 428.904 6.156 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1F 106696282 ZBQJVJCEWYQUNI-UUASQNMZSA-N 427.240 5.277 5 40 IKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCc1ccccc1 225564979 YSORPNQDOYYAGD-UHFFFAOYSA-N 446.503 5.169 5 40 IKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1c2ccccc2cc2ccccc12 2821184 CZQXBEUCLQAGSM-HYARGMPZSA-N 428.285 6.100 5 40 IKBB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 8875229 GSORHAWCKGXHIC-NGZBARDMSA-N 435.505 5.433 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)nc(SCc1ccc(Cl)cc1Cl)n2-c1ccccc1 12546291 LBXHBOOQBRNORV-UHFFFAOYSA-N 430.316 6.533 5 40 IKBB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 16711426 QKZRRGSYSBVQHQ-KGEYNJJLSA-N 447.516 5.099 5 40 IKBB COc1cc(C(=O)OCc2c(C)noc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 23486128 BDYFTIFHDFSJLI-UHFFFAOYSA-N 432.816 5.011 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 196247496 NAFFQVYHUQQTPI-UHFFFAOYSA-N 434.882 6.877 5 40 IKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409117112 KRQGTCCEXWBWMW-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB O=C(Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1ccnn1C(F)F 2805369 QNJQNAPIKPWYGV-UHFFFAOYSA-N 442.300 5.250 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)o1 8723252 QIRZQEJZAZGJOD-UHFFFAOYSA-N 435.505 5.787 5 40 IKBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 8812541 AODYWRTYUORRMA-UHFFFAOYSA-N 446.916 5.327 5 40 IKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1 409114580 KIEOUEIZLFBXHF-UHFFFAOYSA-N 430.445 5.778 5 40 IKBB O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](C(O)(c1cccs1)c1cccs1)C2 8660978 BWKWVFKCAVGFRY-HTHJYTGDSA-N 441.598 5.011 5 40 IKBB CC(C)CC(=O)Oc1cn(C[C@@H]2CCCO2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9243619 JJWRQXYTYFVOJF-SFHVURJKSA-N 448.567 5.166 5 40 IKBB Cc1ccc(S[C@]2(CN3CCC[C@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 16310851 URRKEOIVUWSNJM-BXKMTCNYSA-N 440.565 5.050 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032587 AMBKQDYQHVDREW-FCHUYYIVSA-N 434.521 5.165 5 40 IKBB COc1ccc2c(=O)c3c(nc(-c4ccc(C(C)(C)C)cc4)n4c5ccccc5nc34)oc2c1 6143807 AQUOXLMTYDDOJG-UHFFFAOYSA-N 449.510 6.115 5 40 IKBB COC(=O)c1sc2ccccc2c1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 11852793 NHAOJGSQQJGJGF-UHFFFAOYSA-N 429.453 5.200 5 40 IKBB Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(CN1CCC[C@H](C)C1)C2=O 34917644 JFCKYVCQTJQENV-UPCLLVRISA-N 442.943 5.093 5 40 IKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cccc(O)c3)c12 79189155 UTPGJTFJZIMQRF-UHFFFAOYSA-N 443.503 5.988 5 40 IKBB biogenic COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(C(C)(C)C)cc1 2432140 XFLVZUUSPPYISF-UHFFFAOYSA-N 439.559 6.513 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Cl)c2ccccc2)cc1/C=C(\Cl)c1ccccc1 13402326 PBRPOONQQCXZRL-YXZJEIOKSA-N 441.270 6.977 5 40 IKBB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 57313271 PNDKGUQBNGYWIZ-DHZHZOJOSA-N 448.460 5.075 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2[N+](=O)[O-])CC1 57315897 SBVPKEOUSHMSLL-UHFFFAOYSA-N 430.917 5.347 5 40 IKBB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2sc3nc4ccccc4nc3c2c1 104395894 SDFSGMZJUDOQBX-UHFFFAOYSA-N 444.541 5.213 5 40 IKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCc1ccccc1 225538242 AKFJCLZSRZBLCD-UHFFFAOYSA-N 444.531 6.323 5 40 IKBB CCc1cccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2255214 LREGBQFMFZBDKC-UHFFFAOYSA-N 440.419 5.015 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1C 2300115 MVTFVFHUCRLFKH-UHFFFAOYSA-N 437.547 5.714 5 40 IKBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc21 9348625 WTNSCUCBPHMMJS-UHFFFAOYSA-N 448.309 5.211 5 40 IKBB Cc1csc(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2F)n1 65563011 QRGPWOMERCVFMJ-UHFFFAOYSA-N 445.541 5.403 5 40 IKBB O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872105 ZVGLNIAISAECNX-RVOPSCCGSA-N 426.519 5.257 5 40 IKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCCC1)Sc1nc2ccccc2o1 408632376 FEDISDCPHZYVPF-XSFVSMFZSA-N 439.493 5.334 5 40 IKBB COc1cc2nc3ccc(NC(=S)Nc4ccc5ccccc5c4)cc3nc2cc1OC 408987441 BAMDENLEVIVKKH-UHFFFAOYSA-N 440.528 5.762 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1 409390420 VEEOAXDTDVZFOP-UHFFFAOYSA-N 435.383 5.043 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 1839962 VXNBBKLOOUDURJ-CQSZACIVSA-N 449.894 6.822 5 40 IKBB CCCCN(CCCC)CCNc1ccc(C)c2sc3ccc([N+](=O)[O-])cc3c(=O)c12 4706026 NGALCUBTSIRQSO-UHFFFAOYSA-N 441.597 5.945 5 40 IKBB CCC(=O)Oc1cn(-c2ccc(F)c(Cl)c2)c2nc(CC)n3c4ccccc4nc3c12 9242936 XFONPWMIFCZBFC-UHFFFAOYSA-N 436.874 5.497 5 40 IKBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 15947760 XXWFPZVFXDJLPG-GIGQVBGESA-N 443.912 6.123 5 40 IKBB CC1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229385 NMSCJVRQRQWVOL-UHFFFAOYSA-N 442.730 6.044 5 40 IKBB CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409115751 GZYGNPAXOVSPPH-UHFFFAOYSA-N 441.325 6.111 5 40 IKBB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 852652 GLWUZVPGCQZTRV-UHFFFAOYSA-N 442.924 6.314 5 40 IKBB CCCCCC(=O)Oc1cn(CCC)c2nc(CCCCC)n3c4ccccc4nc3c12 9124652 JIIOZDKUBNFKRS-UHFFFAOYSA-N 434.584 6.466 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 9327826 BSJYANBWCKTVNR-UHFFFAOYSA-N 426.885 5.440 5 40 IKBB CC(C)(C)c1ccc(Oc2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2[N+](=O)[O-])cc1 15978514 KREKTZPTIFMYSA-UDWIEESQSA-N 448.906 6.831 5 40 IKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)cc1 408562339 OZCVKBPGCSYSCA-LNVKXUELSA-N 429.929 5.410 5 40 IKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 408573149 SQTZZDIHWLBNCV-INIZCTEOSA-N 443.743 5.646 5 40 IKBB Cc1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccc(Cl)cc1 1447964 ALOMUKNQWZZQDI-UHFFFAOYSA-N 435.819 5.549 5 40 IKBB biogenic CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1946343 YDHJATVUOSTCEI-OAHLLOKOSA-N 444.553 5.545 5 40 IKBB CCCCOC(=O)c1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2112858 DLWACDLDVBGJPI-UHFFFAOYSA-N 429.472 5.260 5 40 IKBB biogenic CCc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 3456859 URKXCHLRZBJNLJ-UHFFFAOYSA-N 449.532 5.019 5 40 IKBB Cc1nc2c3c4c(sc3n3c(SCc5ccc(Cl)cc5)nnc3n2n1)CCCC4 13811536 VLJTZTADUKXIIG-UHFFFAOYSA-N 440.985 5.120 5 40 IKBB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] 32832307 CQYJRAKBSDPDMC-HUUCEWRRSA-N 429.904 5.212 5 40 IKBB CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C 38609386 BRIVWQJCHBUVLE-UHFFFAOYSA-N 443.567 7.191 5 40 IKBB O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872073 IWQRTZGOOAOWNC-NCKDPUMBSA-N 426.519 5.257 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408609136 OGLUOXJHKWJELV-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 8832386 FQAPJXYSCPPLCX-PKNBQFBNSA-N 446.846 5.674 5 40 IKBB Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)cc1C 11758403 PDHAEORPBRWOIH-UHFFFAOYSA-N 429.432 5.462 5 40 IKBB COc1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 12560877 IXPLKESPPJIWKQ-UHFFFAOYSA-N 437.452 5.056 5 40 IKBB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 17147185 DZQRUIQFTSUVDC-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1 38755505 KLWOEAFARWMESP-CXUHLZMHSA-N 428.488 5.775 5 40 IKBB Cc1ccc(-n2nc(C)cc2Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 822241 LNJVVPLSGHACTJ-UHFFFAOYSA-N 427.464 5.393 5 40 IKBB COc1ccccc1[C@@H]1[C@@H](Oc2ccc(Cl)cc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 1083553 WFZSLASDQDHKAR-FGZHOGPDSA-N 438.867 5.101 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(Cc3ccccc3OCc3ccccc3)c12 2193736 RUSFRGZPUHFHEL-UHFFFAOYSA-N 429.523 6.673 5 40 IKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2367791 OMDPWLDBOPAEKN-ZDUSSCGKSA-N 448.324 5.017 5 40 IKBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccc(C)cc1 9529506 NKQZENUAGZGPSL-QHCPKHFHSA-N 440.572 5.531 5 40 IKBB FC(F)Oc1ccc(Br)cc1-c1nc2ccccc2c2nc3ccccc3n12 12560443 ZAADCAZACZDWML-UHFFFAOYSA-N 440.247 6.067 5 40 IKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 16227042 FBPFLJSEOKGZNS-UHFFFAOYSA-N 435.461 5.141 5 40 IKBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)c3nc(C(C)(C)C)no3)cc2[N+](=O)[O-])n1 40051178 QMQOIPMIHMLLNL-NSHDSACASA-N 448.526 5.109 5 40 IKBB CC1CC[N+](Cc2ccc(F)cc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 226072351 QMZXEJSFUIYAME-AUSLDBMVSA-N 434.575 5.679 5 40 IKBB COc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408821322 GEPKVXGKVFCGIT-UHFFFAOYSA-N 432.461 5.041 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 409192539 YOMKYMIAOMUYFM-UHFFFAOYSA-N 441.306 6.213 5 40 IKBB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 12565375 CXQDNXXUUQRNNA-UHFFFAOYSA-N 448.479 5.522 5 40 IKBB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 106706785 FKPWMDARUHSYFH-NDENLUEZSA-N 447.472 5.327 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2373160 FIYWJHKVHJHXEQ-UHFFFAOYSA-N 447.515 7.529 5 40 IKBB O=C(CSCc1cccc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@H]1c1cccs1 9155359 BNTSMBWQGIGPBY-KRWDZBQOSA-N 443.575 5.329 5 40 IKBB O=[N+]([O-])c1cc(Sc2ccccc2)c2c([C@@H]3OCCS3)nn(-c3ccccc3)c2c1 12377151 OTSDGXKBCHWEIZ-JOCHJYFZSA-N 435.530 5.847 5 40 IKBB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 16449409 JWINVHIFACBFAR-UHFFFAOYSA-N 444.365 5.397 5 40 IKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 19638289 IHXNLHFIPPXTDX-UHFFFAOYSA-N 443.507 5.540 5 40 IKBB O=[N+]([O-])c1cc(SCc2ccco2)c2c([C@H]3OCCS3)nn(-c3ccccc3)c2c1 1089584 YNBDPEPSMBFDGC-NRFANRHFSA-N 439.518 5.581 5 40 IKBB CC1=C(c2ccccc2)[C@@]2(c3ccccc3)OC(c3ccc([N+](=O)[O-])cc3)=NO[C@@]2(C)C1 1567832 QYIZWGPNEMYKDX-IZZNHLLZSA-N 426.472 5.835 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2253292 YFADCCNCQUCJRJ-UHFFFAOYSA-N 429.911 5.361 5 40 IKBB CCCCCCN(CCCCCC)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1 4802618 CFOAGSOOZXMPNR-UHFFFAOYSA-N 438.055 8.292 5 40 IKBB O=[N+]([O-])c1ccc(Nc2cccc3c2[nH]c2c(-c4ccccc4)nccc23)c([N+](=O)[O-])c1 5615727 WYNMZEUJBBVCHQ-UHFFFAOYSA-N 425.404 5.943 5 40 IKBB COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)c([N+](=O)[O-])c1 20140676 NNAAGWZKYQNKSV-UHFFFAOYSA-N 448.431 5.176 5 40 IKBB COc1ccc(OC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408977120 UIDHQYKAFXHLPJ-UHFFFAOYSA-N 432.439 5.107 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 2450287 JXJNYTCUYNHQAL-UHFFFAOYSA-N 426.885 5.440 5 40 IKBB COc1cc(-c2nc3ccc4ccccc4c3c3c2CCC3)ccc1OCc1ccccc1 8435306 ODFGSEBHONULBP-UHFFFAOYSA-N 431.535 7.131 5 40 IKBB Cc1c(Cl)c(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2ccccc12 10723054 JYJITHHSDYCTEN-UHFFFAOYSA-N 442.902 5.408 5 40 IKBB O=C(OCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 14359357 YJJNSWBZXHOBST-UHFFFAOYSA-N 445.500 5.687 5 40 IKBB O=C(Nc1ccccc1OC(F)(F)[C@H](F)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 22079696 WEBXOKUJKBTNSL-CQSZACIVSA-N 442.699 5.373 5 40 IKBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC(Nc2ccc(F)cc2)CC1 63584362 WBENXSULZCAJRW-UHFFFAOYSA-N 443.862 5.364 5 40 IKBB Cc1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)cc1 408559416 ZRNOMMHEAAYMFP-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB O=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2c3ccccc3cc3ccccc23)cc1 8426104 SUDFBIIUBOECNQ-GDLZYMKVSA-N 426.519 7.161 5 40 IKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1F 17200973 ZAOOWZDBVHDIGX-UHFFFAOYSA-N 449.507 5.411 5 40 IKBB O=C1N[C@@H](c2c3ccccc3cc3ccccc23)Nc2c1sc(=S)n2-c1ccccc1 59459472 ODRQMAJJIKQUMI-QFIPXVFZSA-N 439.565 6.429 5 40 IKBB CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1Cl 408821665 JYARZOVVMDBKNU-UHFFFAOYSA-N 436.320 6.230 5 40 IKBB O=[N+]([O-])c1cc2c(c(CSc3ncnc4sc(-c5ccccc5)cc34)c1)OCOC2 2661236 HZJLRJTWURJCTQ-UHFFFAOYSA-N 437.502 5.425 5 40 IKBB COc1ccc(-c2c(C)c3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3oc2=O)cc1OC 11866213 QYWGZRILAIAOAC-UHFFFAOYSA-N 447.443 5.273 5 40 IKBB biogenic C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 15947757 XXWFPZVFXDJLPG-DGIBIBHMSA-N 443.912 6.123 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc2ccccc2c1 224318892 SRIHBERIBIQYPU-UHFFFAOYSA-N 442.471 5.896 5 40 IKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409021148 YICKYYYJNULQKI-NNLQFVHNSA-N 443.437 5.130 5 40 IKBB Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)ccc1[N+](=O)[O-] 855715 LVEGGTMLGQFXCI-UHFFFAOYSA-N 425.444 5.561 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(=O)O)c2)o1 20151026 UQCSDWQFULKAEX-WEVVVXLNSA-N 426.812 5.167 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1 214042071 LKLKQSVYQOSSJK-YBFXNURJSA-N 440.864 5.745 5 40 IKBB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409102665 ZHVSEVYXYPFAET-UCQKPKSFSA-N 448.500 5.658 5 40 IKBB Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 409111305 BMERHBDXCQWKMJ-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 797176 ZPEKWOOFEYZMNX-MZNJEOGPSA-N 429.476 5.128 5 40 IKBB CCCCCN(CCCCC)[C@@H](C)[C@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 1873692 RHLVJTLVOMZERR-DCFHFQCYSA-N 426.044 7.751 5 40 IKBB Cc1ccc(C)c(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 2751288 BHJSFFXUSPIYGI-UHFFFAOYSA-N 433.463 6.874 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOCc3ccc(OC(C)C)cc3)c12 9449953 NMEWNCXZNSICNJ-UHFFFAOYSA-N 439.559 6.440 5 40 IKBB O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)(F)F)cc2)c1 44088037 YLYGXTMYUOAYSQ-UHFFFAOYSA-N 449.454 6.381 5 40 IKBB Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C)CO1 78877584 VGXGAZSXCFVTAA-NYHFZMIOSA-N 440.883 5.419 5 40 IKBB C[N+](C)(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226071097 CVIDPDUNVJRDJU-GYOPCLBPSA-N 438.607 5.310 5 40 IKBB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 409054358 VCUVYLYCYYKHJD-UHFFFAOYSA-N 449.463 5.785 5 40 IKBB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409177134 BQHWHNJNOAHNRW-UHFFFAOYSA-N 425.440 6.334 5 40 IKBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1c2ccccc2cc2ccccc12 3297926 MGILQDQGEJDLJA-UHFFFAOYSA-N 429.472 5.154 5 40 IKBB O=[N+]([O-])c1cc2c(c(CSc3ncnc4scc(-c5ccccc5)c34)c1)OCOC2 9119576 ROUKSGYFYNHNEN-UHFFFAOYSA-N 437.502 5.425 5 40 IKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 9234546 CVPKUGZDZICQRX-UNOMPAQXSA-N 439.880 5.275 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 15946227 QPDCYMUZKGBNFN-XIKOKIGWSA-N 433.961 6.280 5 40 IKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223110628 FNRYYTHDSWAEPR-GOTSBHOMSA-N 447.564 5.086 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccncc1 408829880 OXNBFEFHJIHZGA-UHFFFAOYSA-N 436.880 5.686 5 40 IKBB CN(C)CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2s1 12342213 HMYJTQYYOZXXFM-UHFFFAOYSA-N 440.550 5.018 5 40 IKBB COc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc32)cc1 13129163 KIYVWSGFPHTXHU-UHFFFAOYSA-N 449.488 5.101 5 40 IKBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13138712 ZORVKOINJWFODK-NRFANRHFSA-N 435.867 5.248 5 40 IKBB COc1ccc(NC(=O)c2cccc(NC(=O)c3cccc4ccccc34)c2)c([N+](=O)[O-])c1 27298407 HSFDUSZVTXGGAU-UHFFFAOYSA-N 441.443 5.261 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 408553649 BESXLOJXWKOZLT-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2ccccc21 409110998 ANUFGPBGRBZSSH-STZFKDTASA-N 448.906 6.124 5 40 IKBB CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 9311212 PSSOWPGWVQVRQK-LJQANCHMSA-N 437.389 5.657 5 40 IKBB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509715 NYNXMGAOBGATLS-UHFFFAOYSA-N 443.507 5.291 5 40 IKBB CC(=O)N1c2ccccc2N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 72333487 PMJUVBQNHIETOS-QHCPKHFHSA-N 430.420 5.122 5 40 IKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1 104158166 BIJVQMNIOAUIKR-IVCQMTBJSA-N 430.577 6.430 5 40 IKBB COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1[N+](=O)[O-] 214796149 PKSBVOGVBAIOOM-LZYBPNLTSA-N 439.276 5.147 5 40 IKBB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 224922935 MZTSYZHPAKRINP-UHFFFAOYSA-N 443.459 5.876 5 40 IKBB COc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 9668072 SYDWWCZZPOQQOG-UHFFFAOYSA-N 437.839 5.626 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 20342403 CZYSJOISILZJAN-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB Cc1ccc(Sc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 12955142 VSOBJCDWABXSSS-UHFFFAOYSA-N 432.423 6.326 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 20610510 XYNBLRPGROMPAG-UHFFFAOYSA-N 445.479 5.103 5 40 IKBB Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCO4)c3c(O)nn(C4CCCC4)c3nc12 95476071 UJSVJRPMVRLJPV-UHFFFAOYSA-N 429.432 5.253 5 40 IKBB CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)nc12 6860520 NOLRHGGDPCDZTM-UHFFFAOYSA-N 444.516 5.498 5 40 IKBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 8455205 GQNXDBITPRXWIT-UHFFFAOYSA-N 435.480 5.005 5 40 IKBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8831258 BMUYPRKUFGXQTD-MRXNPFEDSA-N 440.569 5.225 5 40 IKBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 8832338 IGNGMXKITIRHCH-UHFFFAOYSA-N 449.850 5.807 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 16610676 RXYBXAXEFDDQNB-JIIJFUIFSA-N 441.487 6.568 5 40 IKBB CC(C)Oc1cc2nc3c4cc(Br)ccc4n(C)c3nc2cc1OC(C)C 1867481 IWLNXXZJNGVZST-UHFFFAOYSA-N 428.330 5.612 5 40 IKBB O=[N+]([O-])c1cccc(-c2cc(C3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)n[nH]2)c1 12338610 FTVXMNXAKJTSDN-UHFFFAOYSA-N 430.430 5.383 5 40 IKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 12634492 PNCKRHGHZZTDAG-UHFFFAOYSA-N 445.500 5.956 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 15945746 TVPAJBMMJAALFB-JEOXALJRSA-N 443.525 5.355 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224965441 UDMOCJNODYWEPE-UHFFFAOYSA-N 433.851 6.131 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 408574449 QTKZGGAYMVWVTI-DHZHZOJOSA-N 427.869 5.035 5 40 IKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409252138 QTJXIVHHGWAZJR-PCLIKHOPSA-N 449.510 5.087 5 40 IKBB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 409349613 UJAMIUMFIYYAPD-SRZZPIQSSA-N 449.488 5.050 5 40 IKBB CCCC[C@@H](CC)Cn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 2203178 AWTKHUXIFQZJLS-LJQANCHMSA-N 448.611 6.712 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2400395 RKYMVHPXKXREPY-ZDUSSCGKSA-N 447.926 5.225 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C\c2ccccc2)cc1/C(Cl)=C\c1ccccc1 3846722 SIGAOLLEFXESBW-AYKLPDECSA-N 441.270 6.977 5 40 IKBB CCCC(=O)Oc1cn([C@H](C)c2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 8871241 BYKGIRDDOBVXEV-GOSISDBHSA-N 440.547 6.105 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1OC 9193130 SLOHTZOMXONPIJ-UHFFFAOYSA-N 441.535 5.181 5 40 IKBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 107625797 FVLLYEHAXNZJSO-AATRIKPKSA-N 447.112 5.981 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 223368192 BXKHEYFHFMCZSL-YADHBBJMSA-N 446.488 5.016 5 40 IKBB CCCCCN(CCCCC)[C@H](C)[C@@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 1873696 RHLVJTLVOMZERR-NFQMXDRXSA-N 426.044 7.751 5 40 IKBB CC(C)CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 57313425 VTOSYBRORIYXCR-ACCUITESSA-N 433.464 5.491 5 40 IKBB CC(C)CCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21 2205931 PDMRPGJKDLJTGB-UHFFFAOYSA-N 447.174 6.309 5 40 IKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C 16284486 DXSSRPBOIUWZII-UHFFFAOYSA-N 437.459 5.351 5 40 IKBB CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nc3ccccc3o2)cc1[N+](=O)[O-] 21340970 HDTNZEOSKADDNL-UHFFFAOYSA-N 448.456 5.046 5 40 IKBB CCCCc1ccc2nc(NC(=S)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 32118673 FVSWVFCINXFDTA-PKNBQFBNSA-N 440.550 5.074 5 40 IKBB CN1/C(=C\[P@](=O)(Oc2ccccc2[N+](=O)[O-])c2ccccc2)C(C)(C)c2ccccc21 102223864 GUWVWDUIPAYFNV-YOLGDODGSA-N 434.432 5.846 5 40 IKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1F 408566196 FAQPQGNBSGCMOD-OAQYLSRUSA-N 434.467 5.693 5 40 IKBB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccccc1[N+](=O)[O-] 989706 FUWXIFQMSMWDAY-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB C[N+](CCOCc1ccccc1)(CCOCc1ccccc1)CCOCc1ccccc1 5257042 WXXKMTRTLZWKDY-UHFFFAOYSA-N 434.600 5.083 5 40 IKBB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c([N+](=O)[O-])cc1C 9875472 FQJGJEUPPUGZTA-UHFFFAOYSA-N 444.516 5.553 5 40 IKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cccc([N+](=O)[O-])c3)cccc2c1Cl 12843658 KRSRFWZXGBOXTL-UHFFFAOYSA-N 431.901 5.244 5 40 IKBB C1=C[C@@H]2c3ccccc3Cc3ccc4c(c32)c1c1ccc2cc3ccccc3c3ccc4c1c23 95869649 VUGCJEKOSQLHPQ-AREMUKBSSA-N 428.534 8.953 5 40 IKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409176887 AAQJNCFDNREIFL-UHFFFAOYSA-N 434.300 6.410 5 40 IKBB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1[N+](=O)[O-] 726882 QVEIEDFDOGVHIH-UHFFFAOYSA-N 439.427 5.817 5 40 IKBB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc([N+](=O)[O-])cc4)c23)CO1 2265636 ACMHZVGYHCICRR-FQEVSTJZSA-N 447.607 5.855 5 40 IKBB CC(C)CCC[C@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccccc12 11692083 KDBWVYSHURPHMV-INIZCTEOSA-N 441.535 5.234 5 40 IKBB O=C(NCc1ccc(Cl)cc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 12563763 YJDXBGIYESWGIM-UHFFFAOYSA-N 430.291 5.444 5 40 IKBB COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 12685934 ANOUMJPGPFJDNG-UHFFFAOYSA-N 446.488 5.723 5 40 IKBB Cc1ccc(C)c(Oc2cc(NC(=O)[C@@H](C)n3nc(C(F)F)cc3C)cc([N+](=O)[O-])c2)c1 13960129 AWWLIRABBUURCU-OAHLLOKOSA-N 444.438 5.646 5 40 IKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 18173304 KMNGAUHPDVUNIH-UHFFFAOYSA-N 439.431 5.149 5 40 IKBB Cc1ccc(Cl)cc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409111951 AVJOININQLHQFS-UHFFFAOYSA-N 436.817 6.980 5 40 IKBB CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2236260 CBEXHRGADZZQSR-FQEVSTJZSA-N 439.508 5.181 5 40 IKBB Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1 13858042 MQERTUKGQWRREO-UHFFFAOYSA-N 448.519 5.414 5 40 IKBB Cc1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 17099212 YDZHONTVJRKOFU-CSKARUKUSA-N 434.839 5.412 5 40 IKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 409182771 ODJKRYOKZTUCKR-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CC[C@H](C(C)(C)C)C2 1945653 WGBCIYWINFMJIR-HNNXBMFYSA-N 444.553 5.545 5 40 IKBB COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C(C)(C)C)C2 2734095 ZDPQVZJUWNORQG-KUCQQTCKSA-N 442.537 5.246 5 40 IKBB O=[N+]([O-])c1ccc2nc(NCCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 8855114 DEEBWAGCXUXKRT-UHFFFAOYSA-N 441.391 5.046 5 40 IKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 17098302 ACHPACYRSMZZDJ-WEVVVXLNSA-N 433.247 5.822 5 40 IKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1C 33415782 AQQJZVRPOUYCNL-UHFFFAOYSA-N 429.885 5.252 5 40 IKBB Cc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(C)cc2)cc1 51330374 FBXZCKUUXLJREK-SSGSYVDKSA-N 437.543 7.013 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225026752 DPAKPFCXNRDXFQ-YADHBBJMSA-N 434.521 5.165 5 40 IKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408554357 RVYPSIOSEYPTLT-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccccc1 408568546 IAHCMZMRYCZWIF-HSZRJFAPSA-N 446.532 5.265 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 408609807 OVEDBICCZQFLNR-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568059 KSGCZYIPRONJGM-QKKBWIMNSA-N 442.308 6.884 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)c1 6143801 NJQCMWCDCQPVDT-UHFFFAOYSA-N 436.258 5.851 5 40 IKBB COc1ccc(-c2noc(-c3ccc(N[C@@H](C)c4ccccc4)c([N+](=O)[O-])c3)n2)cc1OC 8586988 WAMIWBUWSCAIPT-HNNXBMFYSA-N 446.463 5.502 5 40 IKBB CCOc1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 9293039 ZHVQBUONYVFZSE-UHFFFAOYSA-N 428.492 5.103 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)cc1Cl)O2 9460772 BCKDQWDTAKTTNC-RBBKRZOGSA-N 440.286 6.144 5 40 IKBB CNC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1 69485472 ZFQZJIJONZLYIX-UHFFFAOYSA-N 434.495 5.545 5 40 IKBB CCc1cccc2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 6860535 OLPPLXNYZUCTJV-UHFFFAOYSA-N 444.516 5.498 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 16449976 GBBSHRVMHYPYFX-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl 17096290 ZHGIKHYYOHRDKR-UHFFFAOYSA-N 429.219 5.357 5 40 IKBB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 409206448 ONGUEYVJXHPLRB-BZZOAKBMSA-N 449.919 5.723 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(Br)cc1F)CO2 2126154 PKRMHNYVYUIDAQ-UHFFFAOYSA-N 440.268 5.513 5 40 IKBB biogenic O=[N+]([O-])C[C@@H](c1ccc(C(F)(F)F)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2667962 HHKNFSLXWISYSO-IBGZPJMESA-N 444.840 6.916 5 40 IKBB Cc1ccc2[nH]c3c(cc(NCCc4ccccc4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9111625 IYOWQJRDQJJKJX-UHFFFAOYSA-N 446.506 5.904 5 40 IKBB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 17201245 LUQQSDBKLNUUEG-UHFFFAOYSA-N 447.497 6.044 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccc([N+](=O)[O-])cc1 8431723 MEDQDNLHSYQGFK-MDWZMJQESA-N 448.276 5.227 5 40 IKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3n2)cc1 9201609 RPNPPSCHGGWICZ-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccc(C)cc1 9529507 NKQZENUAGZGPSL-HSZRJFAPSA-N 440.572 5.531 5 40 IKBB Cc1ccc(C(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)cn2-c2ccccc2)cc1 27525154 QWMCNCZETUFLDT-UHFFFAOYSA-N 429.501 5.731 5 40 IKBB CC(=O)c1cccc(OC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])c1 32121408 XXDVCKMHSPIDPR-UHFFFAOYSA-N 427.865 5.821 5 40 IKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127620 NOQVPXBBKIDLLQ-UHFFFAOYSA-N 439.427 5.574 5 40 IKBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1 408527440 FMHBBFTXFZJMAB-UHFFFAOYSA-N 447.834 5.717 5 40 IKBB Cc1c(Cl)cccc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 3233074 OTNORHUXDYRIEI-UHFFFAOYSA-N 437.912 5.492 5 40 IKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(\c3ccccc3)[S@@](=O)Cc3ccccc3)c2c1 5734123 FKEOUYLTWWQQQK-QUALYTPQSA-N 435.530 5.512 5 40 IKBB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8904109 IAVJPUWADCYVHM-UHFFFAOYSA-N 434.448 5.597 5 40 IKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 20212905 YKARHQWRTXSVSO-QHCPKHFHSA-N 444.878 5.697 5 40 IKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 225866201 JYJCDWWQEWTWLU-UHFFFAOYSA-N 447.535 6.163 5 40 IKBB CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C 254485638 IWWWBRIIGAXLCJ-UHFFFAOYSA-N 442.559 6.351 5 40 IKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 408681354 HVSNNGXOQAXDAB-QFIPXVFZSA-N 443.908 5.345 5 40 IKBB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(Cl)c([N+](=O)[O-])c1 841324 NREOEKWPUHMJRK-UHFFFAOYSA-N 443.699 5.250 5 40 IKBB CCc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 3669387 XNVPIDSLMJUGIK-HHHXNRCGSA-N 428.532 6.292 5 40 IKBB CCCCCN(CCCCC)CCCNc1ccc(C)c2sc3ccccc3c(=O)c12 4367245 GDGHXVXARYSRSL-UHFFFAOYSA-N 438.681 7.208 5 40 IKBB Cc1ccc2c(Cl)c(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)sc2c1 9062510 LTKPDWYASKBQBZ-UHFFFAOYSA-N 430.898 5.542 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408603207 BMCNHJFICNGSML-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408809549 OHGHBTHRRKFNOZ-UHFFFAOYSA-N 425.533 6.073 5 40 IKBB COc1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408833532 SXSHJSSBEAYAAF-UHFFFAOYSA-N 431.473 5.646 5 40 IKBB O=[N+]([O-])c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 1670050 XBGQOFPCQXYIBK-UHFFFAOYSA-N 441.483 6.332 5 40 IKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCCO5)c1 20183526 UZOLNGFWAGIMQE-UHFFFAOYSA-N 442.406 5.059 5 40 IKBB Cc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 226071125 QIJQZBQZGAMTHK-GADZNUIXSA-N 434.644 5.479 5 40 IKBB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409119004 PFXFVJNNNVZQET-UHFFFAOYSA-N 431.319 6.655 5 40 IKBB CCCCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 2432725 YQFBDAZLNLEBKH-UHFFFAOYSA-N 425.532 6.364 5 40 IKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c1 5180322 MMSAPKOEPHLZAY-UHFFFAOYSA-N 425.536 5.201 5 40 IKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6177526 YHUYISVJQGTNRJ-BTYIYWSLSA-N 432.436 5.095 5 40 IKBB O=C(Nc1ccccc1)c1sc(NCCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 12685945 MGRJLGVNGSNOIX-UHFFFAOYSA-N 444.516 5.625 5 40 IKBB O=[N+]([O-])c1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1 19319586 ICGQVXUXFWBBQK-UHFFFAOYSA-N 442.346 5.918 5 40 IKBB Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCO4)c3c(O)nn(C4CCCCC4)c3nc12 79478663 OQBNRLMPXXIZNC-UHFFFAOYSA-N 443.459 5.643 5 40 IKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1Cl 214098613 LZRMBIMAXBPBLW-OEAKJJBVSA-N 429.928 6.883 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223361999 WXYMBGYDLHJHOZ-VXKWHMMOSA-N 446.488 5.016 5 40 IKBB Cc1ccc(C[N+]2(C[C@H](O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCC2)cc1 226071181 CGBGLCHNMHICRZ-VWLOTQADSA-N 438.676 6.141 5 40 IKBB CCOC(=O)c1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 6089587 CQELCXOEQFPAGA-UHFFFAOYSA-N 443.484 5.385 5 40 IKBB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 17100876 IZXYDPCTEMYQTC-LLVKDONJSA-N 436.917 5.252 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(F)(F)F)cc1Cl 57312910 ZDAXIXLIOQVSRF-JXMROGBWSA-N 436.773 6.179 5 40 IKBB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 408696317 ZRKOPLXVJHTJMV-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409015273 ZGAUCPRLZDWZAY-JFENUBAZSA-N 446.912 5.662 5 40 IKBB O=c1c2cc(Br)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 8769032 VCSLTVFHLWMZEQ-FMIVXFBMSA-N 448.276 5.227 5 40 IKBB Cc1cccc(Oc2ccccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 12551036 KYTWVHIUNCWTNL-UHFFFAOYSA-N 445.519 6.184 5 40 IKBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 32119208 NYWUOLHKLOPRIO-UHFFFAOYSA-N 448.957 5.327 5 40 IKBB Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 408695688 SDQOGTBOQBFIDV-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB CC(=O)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 9255092 DAWTUGMKEWYFSP-UHFFFAOYSA-N 440.477 5.007 5 40 IKBB Cc1oc2cc(O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 9959443 LGAHLGNDACFDEN-MRXNPFEDSA-N 444.443 5.083 5 40 IKBB COc1c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc2ccccc2c1Br 14272938 XGIHVJYUKCYZSC-UHFFFAOYSA-N 449.688 5.733 5 40 IKBB COc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4cccc(Cl)c4)c3c2c1 20183448 DQSFUTSMWZDYMK-UHFFFAOYSA-N 430.851 5.811 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315871 ICZWYVBHBNVTFF-UHFFFAOYSA-N 434.842 5.233 5 40 IKBB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)c1 408553539 AFYCXXIDIYRBKA-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408613094 XKPGQPIAHFLFGS-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 937173 IWQRTZGOOAOWNC-LQSUGWPVSA-N 426.519 5.257 5 40 IKBB CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)/C=C/c1ccccc1 2270481 ZQKJOJZPXTVIKE-ARVVGLSGSA-N 426.516 6.130 5 40 IKBB O=C(CSc1nc2ccccc2c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 12139474 IWNKTFSVWNPFQQ-UHFFFAOYSA-N 447.991 5.482 5 40 IKBB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 17094723 MRMGZQQVVWDQEK-UHFFFAOYSA-N 426.281 5.309 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)O)c(Cl)c3)o2)c([N+](=O)[O-])c1 20151004 ZDXVLXQKOJVTMY-WEVVVXLNSA-N 426.812 5.167 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 22529018 MHZMVUWYKGEMTL-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 214609553 LKJMUNKMROMPIG-CIAFOILYSA-N 434.473 5.708 5 40 IKBB O=C1CS[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1c1ccc(Cl)cc1 408558627 VAJQLVWKGJADGB-JOCHJYFZSA-N 440.908 5.606 5 40 IKBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 408992396 AZRCEQJIPJTJPS-UHFFFAOYSA-N 439.544 5.352 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2C)cc1[N+](=O)[O-] 647186 MPQNQJJFSKQUCK-UHFFFAOYSA-N 431.448 5.671 5 40 IKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(N2CCOCC2)cc1 953643 SAOIIYGWUDOGMB-UHFFFAOYSA-N 427.504 5.145 5 40 IKBB Cc1ccc(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])cc1Br 9010122 HEBBWPUOOANAGC-UHFFFAOYSA-N 446.305 5.182 5 40 IKBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cc([N+](=O)[O-])ccc1Cl 9391587 FYRIXQXXXYIMDJ-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB CCOc1ccc(-n2c(-c3ccc(CC)cc3)cn3c4ccc5ccccc5c4nc23)cc1 12523729 XINKXPPUFMYSNN-UHFFFAOYSA-N 431.539 7.060 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl 13984299 RQIYMVOVGIVTAX-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB Cc1ccc(-c2csc(-n3c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cnc3C)n2)cc1 32616180 XUSSLRZXFWONJZ-UHFFFAOYSA-N 433.493 5.082 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223123177 UXYBJPIJPMNALY-PKTZIBPZSA-N 448.548 5.555 5 40 IKBB O=[N+]([O-])c1ccc(NCc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 408608941 NDIXBFGCWDOGPP-UHFFFAOYSA-N 434.495 7.092 5 40 IKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)cc1 408994959 JZDPBZKZLZYIBC-VNVQMEGWSA-N 440.543 6.779 5 40 IKBB CCOc1ccc(-n2c(-c3ccc(OC)cc3)cn3c4ccc5ccccc5c4nc23)cc1 2448219 SDXFZVABZXDHIY-UHFFFAOYSA-N 433.511 6.506 5 40 IKBB COc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 9187060 VZBZVJMCUKHRCZ-QFIPXVFZSA-N 438.439 5.001 5 40 IKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 222382923 RMGFKDJQJHLHGE-LIOHBJMPSA-N 448.478 5.018 5 40 IKBB Cc1ccc(S(=O)(=O)c2nc(-c3cccc([N+](=O)[O-])c3)oc2NCc2ccccc2)cc1 3066739 LNRPRNUDZPGOKG-UHFFFAOYSA-N 449.488 5.003 5 40 IKBB O=C(c1ccccc1Cl)N(C1=N[C@@H](c2ccc([N+](=O)[O-])cc2)CS1)C1CCCCC1 3249346 ICDATXLRVHCGHT-HXUWFJFHSA-N 443.956 5.867 5 40 IKBB Cc1cccc(NC(=O)OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 12955433 LMZFKOYOJZYOPO-UHFFFAOYSA-N 428.897 6.457 5 40 IKBB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 13661751 DLQREQWNPITQPO-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=C1N[C@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)Nc2ccccc21 59488532 GDQQJSLWQHVUMR-LJQANCHMSA-N 434.502 5.210 5 40 IKBB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 11865706 DFMKERXHCSOLBO-VLIAUNLRSA-N 439.508 5.099 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 16449664 YXPAFMOMTVHITR-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] 72229148 WLDHVUBFKQYQJG-OAHLLOKOSA-N 429.948 6.177 5 40 IKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1 214070203 MSCUSUYWRJTPMD-HYARGMPZSA-N 446.484 5.410 5 40 IKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408574595 IMIAVKSEBBVJRC-UHFFFAOYSA-N 440.908 5.351 5 40 IKBB Cc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408976265 QELUXDFKBZNAIG-UHFFFAOYSA-N 446.539 5.997 5 40 IKBB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2sc3nc4ccccc4nc3c2c1 408993476 DHCFUCHLWODBRN-UHFFFAOYSA-N 428.473 5.048 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 1509503 GNHFUNWHXNHUQH-UHFFFAOYSA-N 429.457 5.202 5 40 IKBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2415910 KUHSSNAAKFEODL-UHFFFAOYSA-N 425.536 5.006 5 40 IKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc3ccccc3s2)n1 3341249 ZFLLZDHRXPMSOM-UHFFFAOYSA-N 443.531 5.478 5 40 IKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1c(F)cccc1Cl 3769115 MCIIXKPZDPJCBJ-YDZHTSKRSA-N 447.918 7.022 5 40 IKBB O=[N+]([O-])c1cccc(-c2n[nH]c(-c3cccc([N+](=O)[O-])c3)c2-c2nc3ccccc3[nH]2)c1 9224090 XJZRQBJHJQRXMQ-UHFFFAOYSA-N 426.392 5.103 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)o2)c([N+](=O)[O-])c1 10035123 SFYSEELURRMOOJ-UHFFFAOYSA-N 425.872 5.669 5 40 IKBB O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nccs1 11614444 JXLMYKNNCZGKMN-LJQANCHMSA-N 444.899 5.806 5 40 IKBB O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859699 IWQRTZGOOAOWNC-DUIKLYPQSA-N 426.519 5.257 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 408557512 OHKKQGFBAFXWPP-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCOP(=O)(OCC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 2050613 YJZIMHHRCXPDRI-QGZVFWFLSA-N 432.335 5.990 5 40 IKBB CCCCN(CCCC)CCC[C@@H](O)c1c2ccc(Cl)cc2nc2ccc(OC)cc12 8602750 GVDPLQZTQOLSDP-RUZDIDTESA-N 443.031 6.766 5 40 IKBB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c([N+](=O)[O-])c1 8720883 KSHRWFOUISOESH-UHFFFAOYSA-N 427.416 5.099 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 16195731 OFUIGVUUOKDNIR-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB Cc1ncc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1-c1nc(-c2ccccc2)cs1 35682925 SBZMPGKHIFRGON-UHFFFAOYSA-N 439.884 5.118 5 40 IKBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 58370371 GPFMEKSMLQYYTO-UHFFFAOYSA-N 438.242 5.276 5 40 IKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)ccc1O 79190309 YHCCSHJYZSRRJA-UHFFFAOYSA-N 445.475 5.216 5 40 IKBB biogenic O=C(O)/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nc2ccccc2[nH]1 408634972 WAARMFZHPFHRSZ-BKUYFWCQSA-N 447.472 5.268 5 40 IKBB CS(=O)(=O)c1ccc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 9441429 JYOKFDSQSCACDZ-FQEVSTJZSA-N 433.938 5.533 5 40 IKBB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 223644449 ICFYGYTXTUJNBA-UHFFFAOYSA-N 448.884 5.158 5 40 IKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Cl)cc1 1847654 DEFZWACYRKMNIY-UHFFFAOYSA-N 439.854 6.911 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(OC(C)C)c(OC)c1 2194340 VCWNKSJKFCNZRZ-UHFFFAOYSA-N 427.504 5.590 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223114622 XAQHRQLPNRXXLR-DHIUTWEWSA-N 448.548 5.555 5 40 IKBB CCc1ccc(-c2nn(-c3cc(N4CCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 8781224 GFROHRDCJBOYAI-UHFFFAOYSA-N 440.503 5.124 5 40 IKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 8831151 YOGXCBCHBCPFOR-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)nc(CSc1ccc3ccccc3n1)n2-c1ccc(F)cc1 15554163 AQQCBINUQVLLQK-UHFFFAOYSA-N 430.464 5.913 5 40 IKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881187 URMUTBZJWGBUIV-UHFFFAOYSA-N 448.475 5.148 5 40 IKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 20212901 PVFDMRHVIFLGDP-HSZRJFAPSA-N 444.878 5.697 5 40 IKBB CC(C)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088033 OFZLFTVIDPGPRD-UHFFFAOYSA-N 437.443 6.094 5 40 IKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(F)cc1 408561936 LUXHAUVJFBWRQD-FLFQWRMESA-N 447.919 5.631 5 40 IKBB CCOc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408978057 XYPXULSJEZHBHJ-UHFFFAOYSA-N 445.482 5.530 5 40 IKBB Cc1cc(OCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl 1566122 RPUYUYXDJCYPEZ-UHFFFAOYSA-N 443.833 6.563 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2284781 YHGFVVHBUQGDIX-UHFFFAOYSA-N 425.536 5.231 5 40 IKBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21577942 DKCHBSQLUPLPGE-UHFFFAOYSA-N 433.892 5.845 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3CC[C@H](CC)O3)c21 90415591 IMLOORYQWUJFQT-MGPUTAFESA-N 446.499 6.095 5 40 IKBB O=[N+]([O-])c1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)ccc1Cl 408988426 HYHVTVUPOURGQT-UHFFFAOYSA-N 441.896 6.154 5 40 IKBB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3362528 SLXDMBKRBXFZHC-UHFFFAOYSA-N 426.472 5.807 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1cc(C)ccc1C(C)C 5354116 CKVHPHNWASQXIA-UHFFFAOYSA-N 425.532 6.257 5 40 IKBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441830 MJGDUKXUEQDMMA-UHFFFAOYSA-N 439.884 5.118 5 40 IKBB COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 22524943 NCOWBPMRJVNRKV-HRKXOBMBSA-N 432.476 5.030 5 40 IKBB Cc1ccc(-c2csc(=Nc3ccccc3)n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 254897620 MEESALJQUCAWEM-QHCPKHFHSA-N 431.517 5.399 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(Cl)c2C)c1 408693745 CXOHHMAEZGQONB-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2304043 FKQJWFCFKXINRL-UHFFFAOYSA-N 431.927 5.300 5 40 IKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1[N+](=O)[O-] 2617103 GSACAUDMSISXFY-UHFFFAOYSA-N 445.500 5.956 5 40 IKBB C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 103114704 WCTWYXKSUJFMLH-PSELDJGJSA-N 438.483 5.228 5 40 IKBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8935024 PTDYKQAKYRDLHK-USXZWKKNSA-N 448.478 5.018 5 40 IKBB C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9186309 YRBNNBLTYAKEFF-ZDUSSCGKSA-N 442.830 5.024 5 40 IKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409011157 MMLYXBOWWAOHRG-PVGUKEHMSA-N 442.493 5.017 5 40 IKBB CC(C)(C)[P@@](=NC(=O)c1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCCCC1 5496420 CWDYWUHYMVBQKU-SSEXGKCCSA-N 428.473 5.246 5 40 IKBB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])cc1 101639460 IXJYBHCTDVPRFK-QHCPKHFHSA-N 433.508 6.043 5 40 IKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 2424327 TWCOYVADESLEOR-SJORKVTESA-N 425.536 5.768 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccc(F)cc2)no1 9447586 VMLUGUQCUZPCES-NRFANRHFSA-N 426.403 5.132 5 40 IKBB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc([N+](=O)[O-])cc1 9562778 QUBUXPAZFJQHFP-UHFFFAOYSA-N 431.882 5.488 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 20108399 QVDKBESBOOQYBA-UHFFFAOYSA-N 431.492 5.326 5 40 IKBB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 104561426 IESVBUIMWXGWFQ-UHFFFAOYSA-N 437.547 5.824 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(Cl)cc1 224351368 RRIYBNIBEXJCQU-UHFFFAOYSA-N 428.897 5.801 5 40 IKBB C[C@@H]1C[C@@H](C)C[N+](Cc2ccccc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 226702788 ADAOHCAHEMYLFX-PRVBGKCFSA-N 430.612 5.786 5 40 IKBB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 3032964 YJNWMMRBZRDLRS-UHFFFAOYSA-N 427.485 5.694 5 40 IKBB CCOc1ccc(-c2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc3sc(=O)oc23)cc1 8869332 MOXQQNQBJSTTDP-UHFFFAOYSA-N 437.429 5.048 5 40 IKBB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCc1cc(F)ccc1[N+](=O)[O-] 69380669 XFRVGBQIHIGNHJ-UHFFFAOYSA-N 435.430 5.270 5 40 IKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 408975484 KYVKOYXKJFNTQL-QGZVFWFLSA-N 440.597 6.184 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 409178490 KEZOONQPPZPDDH-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 409182874 PLAYWZCHBQZYSK-HHHXNRCGSA-N 449.510 6.269 5 40 IKBB O[C@@H](c1cc2cc(Br)ccc2c2cc(Br)ccc12)[C@H]1CCCCN1 1568004 VIODRJXQBOYKMH-UXHICEINSA-N 449.186 5.694 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)c1 6143788 JJQMTZMQGHBYQD-UHFFFAOYSA-N 435.365 5.563 5 40 IKBB Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 8427322 XCYWTIPEYFNWMT-UHFFFAOYSA-N 449.435 5.765 5 40 IKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)Nc1ccccc1Cl 35313218 SMNPAHXPVXVAHZ-UHFFFAOYSA-N 436.949 5.777 5 40 IKBB O=[N+]([O-])c1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 102155276 FWTLYOGXRRNYPN-OAQYLSRUSA-N 444.541 5.292 5 40 IKBB Cc1cccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 409120632 RIRAKWNVZDIMQL-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB CN(Cc1ccco1)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13097329 NJTMEOXHBSOEDD-UHFFFAOYSA-N 436.411 5.630 5 40 IKBB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)c([N+](=O)[O-])c1 17095101 XJWZGPVIROGGBQ-UHFFFAOYSA-N 426.639 6.172 5 40 IKBB O=C(NC12CC3CC(CC(C3)C1)C2)C12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 101441060 YDRMMSFHULARGT-IVKLLASESA-N 434.580 5.518 5 40 IKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 214055483 ZEPZYKAVWLKMCR-UDWIEESQSA-N 436.445 5.100 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(Cl)ccc2C)c1 408694490 JOCVIWBPRSCZOS-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2nc(O)c3c4c(sc3n2)CCCC4)cc1 408735273 PHTBAYWXUULMFE-UHFFFAOYSA-N 433.489 5.430 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 408812830 PPSMOIUFGQSGED-WQRHYEAKSA-N 437.389 5.004 5 40 IKBB CCCCCCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc1OC 3373331 WZIBNHZMJBQTHA-XMHGGMMESA-N 438.480 5.215 5 40 IKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 8836804 YXPGLIOCCYNRSG-CYBMUJFWSA-N 448.324 5.017 5 40 IKBB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 9277129 ZCHZBIJEEOOHCW-UHFFFAOYSA-N 435.480 5.468 5 40 IKBB O=C(CCc1ccccc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414283 ICGMLCLBELTBAQ-UHFFFAOYSA-N 429.432 5.165 5 40 IKBB COC(=O)c1ccc2ccc3ccc(/C=C\c4ccc5ccc6ccccc6c5c4)cc3c2c1 13408295 KSRHJYPSCIGNOD-SREVYHEPSA-N 438.526 8.256 5 40 IKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2c(F)cccc2Cl)c1 24522757 ZZHGHZAWSNRBSF-VAWYXSNFSA-N 435.842 6.080 5 40 IKBB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc21 13893751 ZOOFIOUKBSCSCU-GYCJOSAFSA-N 447.466 5.267 5 40 IKBB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 101346947 DOTRXHKIZFTACL-UHFFFAOYSA-N 436.876 5.742 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 408608177 MWWSABVWZGRPBL-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCOC(=O)c1ccccc1OCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 8997081 VXACDOHUDLWAHL-UHFFFAOYSA-N 441.487 5.002 5 40 IKBB CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 12486048 FZFMGLGCNCDPGS-UHFFFAOYSA-N 426.520 5.889 5 40 IKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226070035 CGALDLGEGBNSST-DEOSSOPVSA-N 442.664 5.315 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 408992681 AWJQBXWGKHPFBG-DNCXPJJSSA-N 442.518 7.372 5 40 IKBB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 409111224 BKPKGJIMDZXMFQ-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1CC1CCCCC1 409139424 AHJUUDJAHSIOER-YBFXNURJSA-N 446.912 6.125 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)cc1 2312855 ROUHOCFDLALNNI-UHFFFAOYSA-N 445.526 5.143 5 40 IKBB Cc1cccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CSC3)c1C 3008336 JROVCVFKYXCCCG-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cc(Cl)ccc1[N+](=O)[O-] 12886859 JBZTXRHPKBTERF-UHFFFAOYSA-N 442.711 5.855 5 40 IKBB O=[N+]([O-])c1ccc(/C=C/c2nc3c(Oc4ccccc4)cccc3c3c2CCS3)cc1 12960360 AHEVXDVPJSQAQW-SDNWHVSQSA-N 426.497 6.754 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccs1 22076379 RFVHIQJWTFOUME-UHFFFAOYSA-N 447.944 5.099 5 40 IKBB Cc1cc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)ccc1[N+](=O)[O-] 32115141 UDRJLEVTFOBUGB-UHFFFAOYSA-N 443.793 5.895 5 40 IKBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c1 408694535 KCKNHIWCKFBIHL-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB O[C@H](c1cc2cc(Br)ccc2c2cc(Br)ccc12)[C@H]1CCCCN1 1568005 VIODRJXQBOYKMH-WOJBJXKFSA-N 449.186 5.694 5 40 IKBB O=[N+]([O-])c1ccc(Oc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 2082731 LYUHMLHEVDGXNN-UHFFFAOYSA-N 428.400 6.755 5 40 IKBB c1ccc(-c2cc3n(n2)c2cc(-c4ccccc4)nn2c2cc(-c4ccccc4)nn32)cc1 3146967 XCHPHOSDFRSBBC-UHFFFAOYSA-N 426.483 5.631 5 40 IKBB CCCCOc1ccc(-c2nnc3sc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn23)cc1 3843297 AVFZELJBCVNREK-UHFFFAOYSA-N 429.889 5.260 5 40 IKBB biogenic O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cc([N+](=O)[O-])cs1 12172939 DTKGHEAHQLFHNM-UHFFFAOYSA-N 434.502 5.150 5 40 IKBB Cc1csc(Sc2ccc(C(=O)N3CCCSc4ccccc43)cc2[N+](=O)[O-])n1 32897189 BGYDTOBBHWTSFJ-UHFFFAOYSA-N 443.575 5.654 5 40 IKBB COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)cc1SC 95465586 MYHDSNPVPPTTAZ-QGZVFWFLSA-N 447.532 5.342 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(Cl)c1 224491285 ZOJNRPGVHIUZTO-UHFFFAOYSA-N 426.856 5.478 5 40 IKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCO5)c1 20183528 UBTPWXNHLRZKKC-UHFFFAOYSA-N 428.379 5.017 5 40 IKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2sc3nc4ccccc4nc3c2c1 35153247 JTQICFKDKNJPJM-UHFFFAOYSA-N 436.565 6.960 5 40 IKBB CC1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229150 HHTIPZKMXVYIBN-UHFFFAOYSA-N 429.948 6.034 5 40 IKBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)c1 100964677 WSFCLRCGKYKQLH-CRICUBBOSA-N 429.451 6.363 5 40 IKBB Cc1cc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)ccc1Br 3233117 CUHRNZGCYASGLZ-UHFFFAOYSA-N 438.328 5.006 5 40 IKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)CC2)cc1 96012527 OXOHQPIMABGJTQ-UHFFFAOYSA-N 445.910 5.185 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccnc1 408826542 JTKZKEUSUCEQAG-UHFFFAOYSA-N 436.880 5.686 5 40 IKBB O=S(=O)(Nc1nccs1)c1ccc(NCc2c3ccccc3nc3ccccc23)cc1 5485892 KWIXSBYLTITJIX-UHFFFAOYSA-N 446.557 5.257 5 40 IKBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 8989912 KWZRHCODIYUPKJ-UHFFFAOYSA-N 443.209 5.289 5 40 IKBB NC(=O)c1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)sc2c1CCCCC2 9668734 XJHYRAUVRLPSQT-UHFFFAOYSA-N 449.941 5.145 5 40 IKBB O=[N+]([O-])c1ccc(-c2nnnn2-c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 12960087 DWUMSUXWXPLPNG-UHFFFAOYSA-N 442.262 5.123 5 40 IKBB O=C(c1ccc(Cl)cc1)c1cc2cc(Br)ccc2n2c1nc1ccccc12 13145926 NXWQWUVPCNCZHC-UHFFFAOYSA-N 435.708 6.288 5 40 IKBB Cc1ccc(NC(=O)COc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)cc1Cl 408607234 KCSSUFUQNQWLGV-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCCC1)Sc1nc2ccccc2[nH]1 408634121 PIKWUHAKOKUOIC-XSFVSMFZSA-N 438.509 5.069 5 40 IKBB CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccccc3c3nc4ccccc4n23)cc1 2959693 LISBMJDKWVFUCN-HSZRJFAPSA-N 440.572 6.108 5 40 IKBB C[C@H](NC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)c1cccc(-n2cccc2)c1 13959921 BFHSLKJYBWIBRL-IBGZPJMESA-N 441.487 5.456 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 22528982 KLDUFFNRFYXUOB-CQSZACIVSA-N 449.894 6.822 5 40 IKBB Cc1ccccc1[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 30850165 NTJLXHLFCVCJFK-CGOMHOPZSA-N 448.522 6.350 5 40 IKBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 33509726 JEXXFXJFRNGAKY-INIZCTEOSA-N 441.494 5.471 5 40 IKBB CCCCN(CCCC)[C@@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729667 MIXOXADZYDIRDZ-AVRWGWEMSA-N 442.441 7.080 5 40 IKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl 72229400 KYYJNWHMZDJIQX-UHFFFAOYSA-N 442.730 6.552 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1Cl 224139507 NDMHYGCMYQWPEB-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409195872 WSSITDVYNLUHDZ-LDADJPATSA-N 425.853 5.280 5 40 IKBB Cc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1C 2255045 MSYGRLVLVHWYBF-UHFFFAOYSA-N 440.419 5.069 5 40 IKBB CC[C@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2424330 TWCOYVADESLEOR-DLBZAZTESA-N 425.536 5.768 5 40 IKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc(Br)cc1 9472541 WLZKCVZFVBFOMP-UHFFFAOYSA-N 448.345 5.773 5 40 IKBB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 24751184 RSUMLAGKXSBGIV-UHFFFAOYSA-N 435.267 5.004 5 40 IKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 408678766 CXPLJGPFWOCNOR-QFIPXVFZSA-N 443.908 5.345 5 40 IKBB O=C(Oc1ccc(Cl)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976386 QWZQBWMSDWKFQV-UHFFFAOYSA-N 436.858 5.752 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 9450955 BVSHICGAXDRQHQ-INIZCTEOSA-N 445.475 5.934 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 19634923 OHFBUXCNFMBYLU-PKNBQFBNSA-N 441.896 5.343 5 40 IKBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 214798123 TWPQGLNLIFCXRX-LZYBPNLTSA-N 439.276 5.147 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3c4sc(O)nc4S[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)o2)cc1 329779356 ZVGLNIAISAECNX-IRBSAZDJSA-N 426.519 5.669 5 40 IKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 408573437 SUMZUFHAARSXLA-QHCPKHFHSA-N 446.532 5.265 5 40 IKBB CCCCCCn1c(COc2ccccc2F)nnc1SCc1cccc([N+](=O)[O-])c1 2621839 GCMUHBQIOPLRMC-UHFFFAOYSA-N 444.532 5.777 5 40 IKBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2cccc(Br)c2)cs1 9109900 PEOUOYHHOLHKEM-UHFFFAOYSA-N 429.251 5.254 5 40 IKBB COc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(OC)cc3)c2Cl)cc1 22528976 KHJXLXISDARCNC-UHFFFAOYSA-N 449.894 5.844 5 40 IKBB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1C 409115513 JJZMSIUMLAEVAC-UHFFFAOYSA-N 431.319 6.710 5 40 IKBB CCn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc([N+](=O)[O-])cc1 3276953 CUKUVAWWLUYYCK-UHFFFAOYSA-N 443.579 5.401 5 40 IKBB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 13632463 ZWIRPSIIOLMQFD-UHFFFAOYSA-N 433.316 6.446 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2cc(Br)ccc2c1Cl 19634846 TUQTUIQSFARRJQ-UHFFFAOYSA-N 441.690 5.486 5 40 IKBB COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 59463601 BOTIPOMCJNNXCJ-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408563351 VLAGLDHYUSTSAN-LNVKXUELSA-N 429.929 5.410 5 40 IKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2211455 SPUJLOPCUWJKQI-MRXNPFEDSA-N 425.536 5.686 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccccc2F)no1 9187600 CZQDWZSKJKIQSE-OAQYLSRUSA-N 426.403 5.132 5 40 IKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)c4ccc(Cl)cc4n3)CC2)cc1 79060669 KHMVVQHNZNKFBD-UHFFFAOYSA-N 445.910 5.185 5 40 IKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 3288934 HHCITRMFXFXKSB-UHFFFAOYSA-N 426.885 5.440 5 40 IKBB CC(C)Oc1cc2c(cc1[N+](=O)[O-])C=C[C@@]1(O2)N(c2ccccc2)c2ccccc2C1(C)C 6076999 GWZXBYSBFSTMAA-MHZLTWQESA-N 442.515 6.613 5 40 IKBB CCOc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 12707478 IMQNQKUNCAWXMP-UHFFFAOYSA-N 428.492 5.551 5 40 IKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1ccc(Cl)cc1 19792220 DNPYBYWOSCUFIY-UHFFFAOYSA-N 448.906 5.487 5 40 IKBB CCCCC(=O)Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 21595485 VVIMGZVBPUBIBF-UHFFFAOYSA-N 431.901 5.844 5 40 IKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229379 GVPKGKSGUROQEF-LLVKDONJSA-N 442.730 6.186 5 40 IKBB O=C(O)/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2[nH]1 408634405 QTWGKZODCRUAHV-BKUYFWCQSA-N 447.472 5.268 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2288104 FOQNVNDZQGGPIW-UHFFFAOYSA-N 439.563 5.653 5 40 IKBB O=[N+]([O-])c1ccc([C@H](O)CNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 9120615 CARBPWXQYHIRPY-JOCHJYFZSA-N 448.415 5.523 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 15838274 XBJUKWWNJMDBRE-NRFANRHFSA-N 436.851 5.263 5 40 IKBB COc1ccc([C@@H]2C=C(Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1[N+](=O)[O-] 103768037 RVOIAXAXPQYGBU-QFIPXVFZSA-N 429.476 5.304 5 40 IKBB Cc1noc(/C=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1[N+](=O)[O-] 408544925 WCJFHRCQDFMMDE-ALCCZGGFSA-N 435.314 5.781 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 408611422 SBXDSTXSJREBIV-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 409097435 GRAQFRPMLBARGV-UHFFFAOYSA-N 430.533 5.621 5 40 IKBB CC(C)Cn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409117253 NZUUHKPHDNEGMS-UHFFFAOYSA-N 436.459 5.603 5 40 IKBB Cc1cccc(Nc2nnc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3ccccc23)c1 8691976 RLDJXJNLXMWGOA-UHFFFAOYSA-N 441.491 5.094 5 40 IKBB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1cccc([N+](=O)[O-])c1 9366630 QPDOUAAHGFDLQO-UHFFFAOYSA-N 440.428 5.010 5 40 IKBB CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 16607925 DSVRESOZAXSXSK-QHCPKHFHSA-N 429.505 5.536 5 40 IKBB O=[N+]([O-])c1cccc(N2CCN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)CC2)c1 97165875 CJNJTYXTMXQCRP-UHFFFAOYSA-N 445.910 5.185 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408829371 NSDXQLXTPRAELG-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2406832 RBYMXMYIGNDFQV-UHFFFAOYSA-N 439.563 5.789 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 2410150 ZGIJENAEAFXSIU-QGZVFWFLSA-N 439.563 5.906 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccc(Cl)cc2Cl)n1 8892298 QHFUFILWXQPFHI-UHFFFAOYSA-N 439.323 7.120 5 40 IKBB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 9367852 CUWSBDJHMRDQMD-UHFFFAOYSA-N 437.546 6.483 5 40 IKBB CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] 13537252 GPJDIHDLTQEECK-LHZMRRPESA-N 429.733 9.213 5 40 IKBB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13929555 FYSMBRMZAZDPSN-YVLHZVERSA-N 429.215 5.506 5 40 IKBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 15307239 OGZHWYVGMLMGBY-UHFFFAOYSA-N 442.968 6.098 5 40 IKBB Cc1nc2ccccc2c2c(NC(=O)Cc3csc(-c4ccccn4)n3)c3ccccc3n12 23294453 NAQIEBNWZPUKHQ-UHFFFAOYSA-N 449.539 5.649 5 40 IKBB CC1=C(c2ccccc2)[C@]2(c3ccccc3)OC(c3ccc([N+](=O)[O-])cc3)=NO[C@@]2(C)C1 1567834 QYIZWGPNEMYKDX-UIOOFZCWSA-N 426.472 5.835 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 6150757 OUQPUWJWZGJTND-UHFFFAOYSA-N 439.563 5.735 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCc1ccccc1 9293486 AKMPZDBLKFLBQR-UHFFFAOYSA-N 445.522 6.374 5 40 IKBB Cc1ccccc1[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12554900 OCLQYLNYVOLPKL-HNNXBMFYSA-N 435.446 5.016 5 40 IKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3ccccc3)c12 79189250 RGOHSRLFSKCJMU-UHFFFAOYSA-N 427.504 6.282 5 40 IKBB biogenic Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)cc(C)c4)c(C)nc32)cc1 9076558 SIISKKZDGUNKFV-UHFFFAOYSA-N 445.526 5.506 5 40 IKBB COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 9190250 RGZLOZMMWJXGCF-UHFFFAOYSA-N 437.839 5.626 5 40 IKBB C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9367216 BBSMFOPGPWQMCJ-CQSZACIVSA-N 436.418 5.744 5 40 IKBB COc1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OCc1ccccc1 12602355 LAAKCGKGSFVHQB-RIYZIHGNSA-N 444.512 6.476 5 40 IKBB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])s1 101639478 ANGLWXSGESBDSS-NRFANRHFSA-N 439.537 6.105 5 40 IKBB Cc1cc2c(cc1C)N[C@@H](c1c3ccccc3cc3ccccc13)C1=C(O)CC(C)(C)CC1=N2 102857885 XZQLZQGVUXMQID-PMERELPUSA-N 446.594 8.481 5 40 IKBB COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C(C)(C)C)C2 2734093 ZDPQVZJUWNORQG-SHQCLWGWSA-N 442.537 5.246 5 40 IKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 8907444 SIXYWNZJSPJVRG-UHFFFAOYSA-N 432.392 5.180 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 16525914 OMEKTHDFFYCGDX-UHFFFAOYSA-N 445.494 5.668 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F 32925676 SMKKGYSLXZXYAG-FDMDGMSGSA-N 434.292 5.119 5 40 IKBB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34720973 YHZFJRIEVQLDEK-UHFFFAOYSA-N 436.276 5.288 5 40 IKBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1Cl 408836562 SLMCBOGAESCCQD-UHFFFAOYSA-N 436.320 6.230 5 40 IKBB COc1ccc(N2C(=O)CC[C@H](Sc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 65090588 KUPPPQBRTMFCBP-UPVQGACJSA-N 434.517 5.632 5 40 IKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)cc1 408994956 JZDPBZKZLZYIBC-BUFOOBCNSA-N 440.543 6.779 5 40 IKBB O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 2079072 VCHOCAUDXXHUKE-UHFFFAOYSA-N 444.399 6.880 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 2410149 ZGIJENAEAFXSIU-KRWDZBQOSA-N 439.563 5.906 5 40 IKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8832052 VJLYPBSAOPACRU-UHFFFAOYSA-N 441.468 6.384 5 40 IKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc3ccccc32)cc1 15981444 DFXHRNDCHOWOPA-UHFFFAOYSA-N 429.423 6.412 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1 20140619 NNAYKUCEZILJQT-UHFFFAOYSA-N 432.432 5.476 5 40 IKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(F)cc1 408564501 YWQGSCYHTKBSJG-ATJXCDBQSA-N 433.892 5.241 5 40 IKBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408618877 HOWQXNATBGLVOL-UHFFFAOYSA-N 434.835 6.553 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 2061322 YXGICYZEDDRQLT-UHFFFAOYSA-N 435.281 6.020 5 40 IKBB OCCN(CCO)c1cc(/C=C\c2c3ccccc3cc3ccccc23)nc2ccccc12 5640796 MKKBVWFJBZHWSG-YPKPFQOOSA-N 434.539 5.503 5 40 IKBB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745610 AKLYOIDSIKNNIK-PDGQHHTCSA-N 438.486 5.576 5 40 IKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1 408679786 FHDGOYQOVMPJSH-QFIPXVFZSA-N 443.908 5.345 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2C)cc1 408694992 NNIILRLXVGURQQ-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 959460 KELHTLVQUKVNER-UHFFFAOYSA-N 428.441 5.200 5 40 IKBB Cc1[nH]c2ccccc2c1[C@@H]1c2cc([N+](=O)[O-])ccc2O[C@]2(N3CCOCC3)CCCC[C@H]12 19830796 XTTZLFDVYNCVHM-LPPUWEFUSA-N 447.535 5.128 5 40 IKBB O=C1S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc2ccccc2c1 33675683 ULJQKRFMVRTMJG-PKAZHMFMSA-N 445.543 7.383 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2-c2ccccc2)cc1 4424695 IZWHQPKWAKLYCA-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1OC(c3ccccc3)(c3ccccc3)c3ccccc3N1CO2 22002830 BRDBBDXQEWULGJ-AREMUKBSSA-N 436.467 5.772 5 40 IKBB N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27638553 AFZIPZIQIQTNQE-UHFFFAOYSA-N 431.326 6.660 5 40 IKBB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2)c1 40487555 NTKGYONOMAKZOR-OAQYLSRUSA-N 446.488 5.146 5 40 IKBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 166349039 UJAGXGJXOXCLLC-LZYBPNLTSA-N 439.276 5.147 5 40 IKBB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754342 WWPAMLXZSXGCFJ-UHFFFAOYSA-N 440.565 5.278 5 40 IKBB c1ccc(CCN(CCc2ccccc2)p2oc3ccccc3c3ccccc3o2)cc1 642813639 BDPQWZPOIGJWIE-UHFFFAOYSA-N 439.495 7.713 5 40 IKBB CCCCN(CCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1 1592057 NXAPINSVHHTCCK-UHFFFAOYSA-N 440.425 7.231 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)COc3ccc(Cl)cc3)c12 9293289 KSNICCSUVLDCFD-UHFFFAOYSA-N 445.906 5.322 5 40 IKBB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9517004 SULZAWIJBMXLCR-SNVBAGLBSA-N 447.398 5.460 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2c(C)cc(Br)cc2C)o1 9948880 DDBHASCCYJBDSN-UHFFFAOYSA-N 429.270 5.795 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 408558146 QEURSABDAAXIIY-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB CC(=O)c1ccc(-c2ccc(-c3c4cnn(C)c4nc4c3oc3cc(O)cc(O)c34)o2)cc1 524730805 XYUQRWMHWGFIBV-UHFFFAOYSA-N 439.427 5.409 5 40 IKBB biogenic O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)CC1 1395416 BNYPEXHPOYAQDL-UHFFFAOYSA-N 444.413 5.024 5 40 IKBB CCCCN(CCCC)[C@@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729665 MIXOXADZYDIRDZ-BVZFJXPGSA-N 442.441 7.080 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2211456 SPUJLOPCUWJKQI-INIZCTEOSA-N 425.536 5.686 5 40 IKBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12524475 UBYQLMFOJPLAND-UHFFFAOYSA-N 434.521 5.060 5 40 IKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 17101666 MTEDAPPJWZUYLH-ZZXKWVIFSA-N 437.666 6.467 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3[N+](=O)[O-])o2)cc1Cl 19634950 ZLXXUSDOBLAJJH-PKNBQFBNSA-N 441.896 5.343 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 22528989 KLDUFFNRFYXUOB-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1 224537743 YQMZLXIWIHYHTM-UHFFFAOYSA-N 434.492 5.750 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408569085 ISWGGSUGLTVJFM-HXUWFJFHSA-N 441.314 6.462 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409220351 XPEONJQRROEQTQ-CIAFOILYSA-N 448.456 5.082 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 2257127 BJPIOJQGBJDWGG-UHFFFAOYSA-N 437.547 5.741 5 40 IKBB CCCCCC[C@@H](C)C[C@@H](CCCCCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 5047570 RHMQUCJFHNCQBF-FYYLOGMGSA-N 434.621 6.677 5 40 IKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 210201387 TZALXKMQRGGIGK-ODLFYWEKSA-N 440.864 6.058 5 40 IKBB COc1cc2nc3ccc(NC(=S)NC(C)(C)CC(C)(C)C)cc3nc2cc1OC 408993327 DHGQDPCQTYUYIY-UHFFFAOYSA-N 426.586 5.301 5 40 IKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10120082 SLFQVZHOJZDKFN-UHFFFAOYSA-N 442.475 5.179 5 40 IKBB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 19630730 LDSRUNPINLZRNO-UHFFFAOYSA-N 439.899 5.997 5 40 IKBB CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 409102791 UCRAONSPWLBATO-UHFFFAOYSA-N 428.823 5.697 5 40 IKBB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N2CCCCCC2)cc1 2279999 WVGJBRCXCPUBCV-PTGBLXJZSA-N 449.551 5.066 5 40 IKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 4014297 UXBLYQHXVULNTL-UHFFFAOYSA-N 430.291 5.809 5 40 IKBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CSC3)c(C)c1 9404477 YXDBQGFVFWEVRB-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB COc1ccc(-c2c(C)nn3c2N=C(c2cccc([N+](=O)[O-])c2)C[C@H]3c2cccnc2)cc1 14607617 CABZENKRUHPZHD-QHCPKHFHSA-N 439.475 5.284 5 40 IKBB COc1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(=O)Nc2nccs2)cc1 57523741 MNAOMMXGMYLXFG-RWEWTDSWSA-N 427.485 5.536 5 40 IKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 72229399 HFNZLZNNEHBYMC-UHFFFAOYSA-N 442.730 6.552 5 40 IKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)c(OC)c1OC 96115321 ZOXFZBNDKGTXSB-UHFFFAOYSA-N 433.464 5.310 5 40 IKBB biogenic O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]21 104105354 JYEXLSPHXJKNIE-RLOOEXNOSA-N 427.503 6.709 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 408722502 JPQBUFNUUPVLBV-UHFFFAOYSA-N 443.528 6.563 5 40 IKBB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] 9252478 IOYLEMTXKOJNKB-UHFFFAOYSA-N 445.431 5.163 5 40 IKBB Cc1cc(C)c2c(C)nn(-c3ccc(NC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc3)c2n1 40105266 PVHNUSIRHHMFCH-UHFFFAOYSA-N 435.871 5.160 5 40 IKBB Cc1cc(C)c(NC(=O)Cn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)c(C)c1 8817065 SWWSQEMDAPFOIQ-UHFFFAOYSA-N 432.436 5.175 5 40 IKBB Cc1cccc(CC(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)c1 9414275 DFWKNOCNAROTNE-UHFFFAOYSA-N 429.432 5.083 5 40 IKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20142652 NGBLXAWKNFBQJP-UHFFFAOYSA-N 449.507 5.144 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)o1 20151058 FPAFUYLOHHPUIV-UKTHLTGXSA-N 444.443 5.567 5 40 IKBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 34703510 QSTMPBNDFBXSBD-INIZCTEOSA-N 441.494 5.471 5 40 IKBB O=Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2ccccc12 226769301 IVMDYBQHOAYXCM-UHFFFAOYSA-N 439.221 5.073 5 40 IKBB CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc(Br)c4O[C@@]312 2275610 QAONQROHPBRWEJ-LEWJYISDSA-N 427.298 5.421 5 40 IKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3c(-c4ccccc4Cl)cnc2c31 8792148 SMNDYKSBTVSNOA-UHFFFAOYSA-N 440.886 5.930 5 40 IKBB biogenic COc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2cccc(C)c2)c1 9434402 NNNXYVMHJCLKHN-LCUIJRPUSA-N 429.432 5.143 5 40 IKBB CCCSc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 12585123 SWXSJNHDXPOFHD-LLVKDONJSA-N 429.325 5.810 5 40 IKBB CCN(CC)c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-] 72229272 SDRFWNIKBBDGGK-UHFFFAOYSA-N 426.698 5.109 5 40 IKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1C 408569064 INYROHGRBDUIMY-SFHVURJKSA-N 437.352 5.609 5 40 IKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 408803028 KMRDQPDSDAFDSG-UHFFFAOYSA-N 440.888 5.580 5 40 IKBB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 409109909 NSSOXCFWMAGXHY-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2315493 HHJMXGPXVHVTOS-UHFFFAOYSA-N 425.872 5.751 5 40 IKBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 9058885 QGHUCKCTSFTPEY-YVLHZVERSA-N 429.215 5.506 5 40 IKBB CC(C)CC(=O)Oc1cn(C2CCCCC2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9123839 OGGZFWSMVFQTQT-UHFFFAOYSA-N 446.595 6.492 5 40 IKBB O=[N+]([O-])c1cccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 9315940 SBGWZBIMMKSUBS-UHFFFAOYSA-N 436.562 5.374 5 40 IKBB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12858741 GPADIRCDOZLDGS-UHFFFAOYSA-N 446.438 5.395 5 40 IKBB CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183554 UUKBSSASFCVBLE-UHFFFAOYSA-N 440.459 5.556 5 40 IKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2259491 OITRLJNPRVXISC-UHFFFAOYSA-N 425.536 5.345 5 40 IKBB Cc1ccccc1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 9130980 GFMKKDCLPSPWKB-UHFFFAOYSA-N 432.505 5.355 5 40 IKBB COc1cc2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC 70503638 JDEASHZSXDFPQM-UHFFFAOYSA-N 440.459 5.475 5 40 IKBB COc1ccccc1/C=C\c1cc(/C=C\c2ccccc2OC)c([N+](=O)[O-])cc1[N+](=O)[O-] 5080550 QOUIKXZFYIGUNQ-XSYHWHKQSA-N 432.432 5.861 5 40 IKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2cccc([N+](=O)[O-])c2)nn1 9578217 SOIBLXGQTANFBN-UHFFFAOYSA-N 438.509 5.915 5 40 IKBB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12 13375916 LSHFNTILKSQSII-UHFFFAOYSA-N 444.443 5.243 5 40 IKBB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33853334 GDJLHLFRAVQSIC-UHFFFAOYSA-N 444.287 6.145 5 40 IKBB CN(C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 408975195 KFVBAKDURFAXPZ-UHFFFAOYSA-N 430.471 5.548 5 40 IKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 849440 UQOOCAVORBECJE-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 2440051 VJYRYPLKPYSBOX-UHFFFAOYSA-N 446.532 5.664 5 40 IKBB Cc1ccc(C(C)C)c(OCCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 9601698 DMFVWOCUIPLAEK-UHFFFAOYSA-N 427.379 5.445 5 40 IKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1[N+](=O)[O-] 16949062 QHZRJRZNADGVGG-ODLFYWEKSA-N 440.864 6.058 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363638 GABYIAQANYIQGK-UXBLZVDNSA-N 443.311 6.744 5 40 IKBB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409113428 AUGPZOTXXWSSAA-UHFFFAOYSA-N 426.900 6.065 5 40 IKBB CCCCOc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409184271 WPKVZQDCZAROKZ-XMMPIXPASA-N 433.460 5.555 5 40 IKBB O=C(O)C[C@H](C(=O)O)[C@@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1673206 PMCXMNWKMHPDIP-LSYYVWMOSA-N 434.491 6.454 5 40 IKBB COc1ccc2c(c1)c(C(=O)COc1ccc3c(oc(=O)c4ccccc43)c1C)c(C)n2C 2093765 SVIXHRJFKXPGHF-UHFFFAOYSA-N 441.483 5.325 5 40 IKBB biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCNc1nc(Cl)nc2ccccc12 9313237 KPVCUMLUQHCZRI-UHFFFAOYSA-N 425.798 5.124 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 16610772 JRBBHUFULIHRTR-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 214180450 DGMUNZKWUMDZRR-CIAFOILYSA-N 434.473 5.708 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 830120 CANWOYHGGKCUPX-UHFFFAOYSA-N 439.855 5.152 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3c4ccccc4nc(SCc4cccc(Cl)c4)n3n2)c1 2969065 NEKASASGHAGYOI-UHFFFAOYSA-N 447.907 5.798 5 40 IKBB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122613 VGAVTZDZLBFQKQ-UHFFFAOYSA-N 428.448 5.256 5 40 IKBB CC(=O)Nc1ccc(/N=c2/oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 16321169 LIWCIVCVMICLDT-SJCQXOIGSA-N 444.494 6.320 5 40 IKBB CC1(C)CC2=C([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C1)[C@]1(O)CC(C)(C)C[C@@](C)(C2)C1 103109052 ICBQGNBHOXRZKL-OWAUWMPXSA-N 426.557 5.161 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408564118 XXLAWCKKTYYWLN-GYHWCHFESA-N 443.956 5.718 5 40 IKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 2069975 ZGHLKRWOQRWVKZ-UHFFFAOYSA-N 429.476 6.261 5 40 IKBB CC(=O)n1c(Nc2ccc(C)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 3242218 BIMYSRXBTWCYSC-UHFFFAOYSA-N 445.500 5.773 5 40 IKBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1Cl 9057154 JGERINXZCRWEQU-RWEWTDSWSA-N 449.850 5.488 5 40 IKBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nc3cc(Cl)ccc3o2)c1O 9530817 QIZRZPNXEPJYLZ-UHFFFAOYSA-N 437.839 5.631 5 40 IKBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 11852714 VJIKEZMTJNQRQH-UHFFFAOYSA-N 447.472 5.301 5 40 IKBB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)c4cccc([N+](=O)[O-])c4)cc3)o2)c1 25836342 KPSHCQAIVXNWFH-KRWDZBQOSA-N 442.475 5.453 5 40 IKBB O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)c[nH]c2c1 59459168 QMHHYTUNGUFYOX-UHFFFAOYSA-N 427.489 5.616 5 40 IKBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 72229930 DMGSPXVGFNJCID-HSZRJFAPSA-N 448.862 5.842 5 40 IKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102453477 IXWPIMCMOUHQKS-XMMPIXPASA-N 429.476 6.726 5 40 IKBB COc1cc(C)c(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OC 13164719 AKQWUWNOGAHKAB-UHFFFAOYSA-N 442.468 5.463 5 40 IKBB O=Cc1cc([N+](=O)[O-])ccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1 16477648 YZIBWEXRHDCMBU-UHFFFAOYSA-N 425.509 6.492 5 40 IKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCC 408565497 CBQNOLLIOQQXJX-MRXNPFEDSA-N 433.302 5.136 5 40 IKBB O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 409138003 YDCKEESCVFJAFS-LTGZKZEYSA-N 433.489 5.055 5 40 IKBB CCc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409174344 SNIRVPIBYGRWCD-UHFFFAOYSA-N 448.475 5.412 5 40 IKBB O=C(Oc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12)c1ccccc1 4255715 LJACJELARHLPEZ-UHFFFAOYSA-N 433.419 5.160 5 40 IKBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)c1 33541035 WBCVHBKPABOQKI-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB CC[C@@H](C)n1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 1140003 QSDBPGIUBFPESC-OFNOZLENSA-N 435.505 5.757 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc(Cl)cc3)c2ncn1C1CCCCC1 2323402 WQEDHTVIWJZJDL-UHFFFAOYSA-N 443.938 5.501 5 40 IKBB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1C 8760676 LODDPIOUBJTVOM-UHFFFAOYSA-N 428.517 5.158 5 40 IKBB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13301652 FNIGKYAZZCZMMF-UHFFFAOYSA-N 432.354 5.423 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OC(c3ccccc3)(c3ccccc3)c3ccccc3N1CO2 22002824 BRDBBDXQEWULGJ-SANMLTNESA-N 436.467 5.772 5 40 IKBB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100503939 RMGFKDJQJHLHGE-SAZLYLDSSA-N 448.478 5.018 5 40 IKBB Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1[N+](=O)[O-] 2086476 GJAUNYBQGWAVHW-UHFFFAOYSA-N 431.879 6.333 5 40 IKBB COc1cc(Cl)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)cc3)C[C@@H]21 9353638 JFIWYHTWCJLNHA-XUZZJYLKSA-N 449.894 5.808 5 40 IKBB COC(=O)c1ccccc1SCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 12955174 FZRIHUOADVNOFB-UHFFFAOYSA-N 425.531 6.133 5 40 IKBB COC(=O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1 95476117 LFYSELNVFUPZMG-UHFFFAOYSA-N 443.459 5.311 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 102767336 TVTWJAZECXRZJB-UPVQGACJSA-N 433.895 6.107 5 40 IKBB Cc1cccc(CSCCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408924196 DIYCOXJTNLKJCW-JJIBRWJFSA-N 432.545 5.493 5 40 IKBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2338555 BQOYVQAQOMTPSH-UHFFFAOYSA-N 433.851 5.019 5 40 IKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1cccc(F)c1F 3140703 RSYDODWZEJXURO-UHFFFAOYSA-N 443.456 5.886 5 40 IKBB aggregator CCCCCn1c2ccc(Br)cc2c2nc3cc(OC)c(OC)cc3nc21 3221632 OGXXJSPKQRVDDW-UHFFFAOYSA-N 428.330 5.708 5 40 IKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6177322 YHUYISVJQGTNRJ-QVKFZJNVSA-N 432.436 5.095 5 40 IKBB Cc1cc(C)cc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)c(C)c2)c1 8914469 JKOGCQCUCSASFU-UHFFFAOYSA-N 445.526 5.506 5 40 IKBB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9580281 MUJXZPJCMIEHKH-UHFFFAOYSA-N 431.779 5.139 5 40 IKBB CN(C)n1c(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2)s/c1=N\c1ccccc1 12414070 METFZHJKDGAOSA-VHXPQNKSSA-N 432.505 5.347 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3c(C)cc(Br)cc3C)o2)c([N+](=O)[O-])c1 12855883 ASSXWNXMLSKWPD-UHFFFAOYSA-N 429.270 5.795 5 40 IKBB Cc1ccn(Cc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)n1 13643957 DLTUJGRHDBWJLS-UHFFFAOYSA-N 447.474 5.045 5 40 IKBB CCNc1nc2c(s1)c(O)nc1c2sc2nc(C(F)(F)F)cc(-c3ccco3)c21 36612850 VCBAUMPCZSIWQJ-UHFFFAOYSA-N 436.440 5.870 5 40 IKBB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409113330 AIBNLMBTQWSDME-UHFFFAOYSA-N 442.899 5.847 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 409178286 GHOOSGMFTHBJHF-HXUWFJFHSA-N 440.249 5.138 5 40 IKBB Cc1ccc(-c2csc3nc4c5ccccc5c(NCc5ccco5)nn4c(=O)c23)cc1 947686 WQCUONOWIHDYOD-UHFFFAOYSA-N 438.512 5.638 5 40 IKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(C)ccc2C)cc1 2253967 WDRLQISVDDKHPN-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc12 3440150 DNLGRJASLDPKGP-UHFFFAOYSA-N 437.835 6.630 5 40 IKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1c2ccccc2CCc2ccccc21 9191521 RMBDOPWJWZGXGY-UHFFFAOYSA-N 430.489 5.027 5 40 IKBB O=c1cc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)c2c(ccc3ccccc32)o1 17658719 QFDIFYHJONXRNY-FQEVSTJZSA-N 444.468 5.134 5 40 IKBB CCCN(Cc1ccccc1)C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 409000866 NLUZMSDPLNUKHQ-UHFFFAOYSA-N 426.545 6.442 5 40 IKBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2ccc(Br)cc2)cs1 2204976 PMEWZIJQXICMBS-UHFFFAOYSA-N 429.251 5.254 5 40 IKBB CC(C)OC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@@H](C)C2 8385016 DFERTMZINQFADT-LLVKDONJSA-N 436.917 5.252 5 40 IKBB O=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414270 VIORMEQIBFWFIF-UHFFFAOYSA-N 449.850 5.428 5 40 IKBB CCC[C@@H](CCc1nc2ccccc2s1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16804804 OJNWPEVHLDXWOC-INIZCTEOSA-N 429.454 5.071 5 40 IKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(Cl)cc3)c12 20183454 ZUJKFHOXCWLNHX-UHFFFAOYSA-N 430.851 5.811 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C(C)(C)C 224172679 DAJFBRXKTPFGOU-UHFFFAOYSA-N 434.492 5.732 5 40 IKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2CCC(C)C 2247953 RVXBPDFCHGTOCX-UHFFFAOYSA-N 445.954 5.351 5 40 IKBB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 13112804 MITCULSIGPPKIV-CYBMUJFWSA-N 436.518 5.386 5 40 IKBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 13674505 SSPLGOSUGPSALT-UHFFFAOYSA-N 434.926 5.341 5 40 IKBB C[N+]1=C(/C=C\Nc2cc3c4ccccc4ccc3c3ccccc23)C(C)(C)c2ccccc21 17120306 GQLFYTAMIQKTAO-UHFFFAOYSA-O 427.571 7.778 5 40 IKBB CCOc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1 20183611 YBXJVSOYFUSSKR-UHFFFAOYSA-N 428.423 5.687 5 40 IKBB CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 107597948 QRQJFGMZTRCFHP-UHFFFAOYSA-N 426.856 5.478 5 40 IKBB COc1ccc(OC)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 225668461 LHSHALYYMSVXHZ-BDFKGGEMSA-N 432.476 5.030 5 40 IKBB COc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 226070857 NYDPHBRCQQONNF-JOCHJYFZSA-N 428.637 5.307 5 40 IKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2o1 408631969 BVLIILCZBOESHU-ZDLGFXPLSA-N 442.836 5.867 5 40 IKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 409000039 MGASSSRHCWRAKI-UHFFFAOYSA-N 446.576 5.409 5 40 IKBB CC[C@H](C)n1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 1140007 QSDBPGIUBFPESC-RANIVTSPSA-N 435.505 5.757 5 40 IKBB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2270008 SBMUKIMQSLXZLF-ZDUSSCGKSA-N 428.941 6.704 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9414128 IAYXRKBFMPZBAN-UHFFFAOYSA-N 435.823 5.499 5 40 IKBB CC(C)[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCCO2 13096010 OBHVGFCTOWZQDC-HSZRJFAPSA-N 436.464 5.143 5 40 IKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)Nc1ccccc1 44087131 FZCKDNYXXPIWIY-UHFFFAOYSA-N 448.479 5.317 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C(C)(C)C)cc1 224187041 DCQRUCSWDYGHKY-UHFFFAOYSA-N 448.519 6.041 5 40 IKBB O[C@H](c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1567997 GEHCOXATBTVZDU-WOJBJXKFSA-N 428.281 6.494 5 40 IKBB O=c1c2ccccc2c2nc3c(c(-c4cccc(C(F)(F)F)c4)c12)c(=O)c1ccccc13 9339740 GTTHCCXOYHIGIG-UHFFFAOYSA-N 427.381 5.976 5 40 IKBB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 13689513 RBKUGLOBUODIEX-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl 16399388 JJVSUPMFASQBPK-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl 25782801 OUJSBPXCOCNVOQ-DENIHFKCSA-N 440.286 6.144 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229128 MLIUZQJWGBLVBC-UHFFFAOYSA-N 429.948 6.543 5 40 IKBB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 101998998 FGYNPILCNFELSI-VWLOTQADSA-N 447.535 6.433 5 40 IKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 222382807 PTDYKQAKYRDLHK-JPMIEVGJSA-N 448.478 5.018 5 40 IKBB O=C(NCCOc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223582546 SMEVHNYOYMOLLR-NLRVBDNBSA-N 438.483 5.484 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 409184451 XDPGLECCWFGSGD-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 409206188 VUWSDLSRZBRXIV-IZHYLOQSSA-N 429.501 5.378 5 40 IKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3C2CCCCC2)cc1 2252896 JFXFAVVCXBRMAH-UHFFFAOYSA-N 437.547 5.465 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCCC(C)C 2430054 DLWHFPVTXDDJQD-UHFFFAOYSA-N 425.532 6.220 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17099739 WUMFUBPDLFIPSJ-DHZHZOJOSA-N 435.892 6.177 5 40 IKBB O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 22396280 MSVYISAJZAHTBO-UHFFFAOYSA-N 439.624 5.662 5 40 IKBB C[C@H](/C=C/C(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/C1=CCC[C@H]([N+](=O)[O-])C1 225411901 SIMVMXGCKDDNNL-WIYVGHLJSA-N 446.503 5.151 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cc1 408734684 IOCXCESHZIHPQE-UHFFFAOYSA-N 433.489 5.430 5 40 IKBB C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 8442392 WCTWYXKSUJFMLH-ANNHOSHMSA-N 438.483 5.228 5 40 IKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1Cl 17101663 ZGCXGUGWFGUPBT-XBXARRHUSA-N 437.666 6.467 5 40 IKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 225866228 PCLFVEOYCOJWBZ-UHFFFAOYSA-N 447.535 6.018 5 40 IKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409181000 XQYPKVDKQPIKTD-UHFFFAOYSA-N 444.852 5.665 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)o1 861642 PTMVGHYEYIESBM-UHFFFAOYSA-N 431.404 5.261 5 40 IKBB CC(C)CCn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 2334038 LHABHZUTDQOMNB-UHFFFAOYSA-N 434.584 6.033 5 40 IKBB CCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 2737607 VVOHRZAUSLDQHI-KRWDZBQOSA-N 429.889 5.105 5 40 IKBB CCCCN1C(=O)c2c(Oc3cccc(OC)c3)cc([N+](=O)[O-])cc2Oc2ccccc21 3619086 WUVVQEJCWZTRLX-UHFFFAOYSA-N 434.448 5.948 5 40 IKBB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408573369 CXHPYTGYELNQBB-OQKWZONESA-N 443.503 5.302 5 40 IKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 408783462 LOJGTLBWYVMYOJ-VZIOXZNFSA-N 435.505 5.325 5 40 IKBB Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 409053658 NXTJLRWQRNWIEN-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB COc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409110050 QHZTWTMWKMSJRD-UHFFFAOYSA-N 428.872 5.457 5 40 IKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn2cc(C(Cl)(Cl)Cl)cc(Cl)c2n1 8716962 YJSQGXUSGGFZOM-UHFFFAOYSA-N 449.077 5.080 5 40 IKBB Brc1ccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc23)cc1 9379784 MWSDALSAYNHHDF-UHFFFAOYSA-N 438.328 6.861 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(-c2cc3ccccc3oc2=O)c1 9427109 JHXHEZNASNRYCE-UHFFFAOYSA-N 443.440 5.230 5 40 IKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 13946120 PZQVLRNKIIZMJP-UHFFFAOYSA-N 435.871 5.105 5 40 IKBB COc1ccc([C@@H]2CCCN2C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)c2ccccc12 96118738 NCDHCPQVRGPYDR-QFIPXVFZSA-N 429.476 5.075 5 40 IKBB O=[N+]([O-])c1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3)nn21 102670287 ZEGVXBRTAZHSHK-HXUWFJFHSA-N 433.493 5.150 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C(C)(C)C 224513176 CXIAIIBYIDMZJN-UHFFFAOYSA-N 448.519 6.122 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1C 224612683 UOSLYSSBDXHTGO-UHFFFAOYSA-N 434.492 5.750 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1OCc1ccccc1 408586469 NBNMKJQCJXZDIK-UHFFFAOYSA-N 427.254 5.189 5 40 IKBB O=[N+]([O-])c1ccc(I)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250476 RLXVWAIYZNBOCC-UHFFFAOYSA-N 445.081 5.289 5 40 IKBB CCCCN(CCCC)[C@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 1729664 QIKWRNONJWDKLN-GOSISDBHSA-N 440.425 7.229 5 40 IKBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1 16282678 NRSLZTFFNDOGDS-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)cc(OC)c1OC 96114860 QNNBTLHSHXZWLU-UHFFFAOYSA-N 447.491 5.618 5 40 IKBB biogenic CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409114275 GRVDCULLOQKWDL-UHFFFAOYSA-N 440.927 6.455 5 40 IKBB COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)c(OC)c1 13388702 YKAQUTJYGOJGHJ-UHFFFAOYSA-N 431.448 5.345 5 40 IKBB Cc1ccc(N(C)C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C 33713775 NWTLBTHRJHUKEL-UHFFFAOYSA-N 443.510 5.773 5 40 IKBB Cc1c(O)ccc2c1oc1c(-c3ccc(C(=O)O)cc3)c3c(O)nn(C4CCCC4)c3nc12 79478010 JUABIHICFUITLJ-UHFFFAOYSA-N 443.459 5.531 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)c1 8996858 DDKABAAERGGWCG-UHFFFAOYSA-N 446.264 5.306 5 40 IKBB C[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(NC(=O)C2CC2)cc1 58158271 OUFKHWPKUZVXKA-CQSZACIVSA-N 439.899 5.708 5 40 IKBB Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C)CO1 78877580 VGXGAZSXCFVTAA-IVZQSRNASA-N 440.883 5.419 5 40 IKBB O=[N+]([O-])c1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)cc(-c3cccc([N+](=O)[O-])c3)c2)c1 100070385 SYMWBBQLYABKQL-UHFFFAOYSA-N 441.399 6.412 5 40 IKBB CC(C)CSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 222784896 PLKZNWUMRUKOMC-LDADJPATSA-N 440.550 5.374 5 40 IKBB O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(Cl)cc1 408558573 RUCCYLHVIXQKCH-UHFFFAOYSA-N 446.290 5.531 5 40 IKBB CCCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2 2737525 VVSLQLBRIPYASS-UHFFFAOYSA-N 436.917 5.398 5 40 IKBB CC[C@H](C(=O)Nc1cc(Oc2ccccc2C)cc([N+](=O)[O-])c1)n1nc(C)c(Cl)c1C 2805388 HWQGVQJUWIZSCW-LJQANCHMSA-N 442.903 5.752 5 40 IKBB C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 12577406 BPXCQIDNWKVLBT-GOSISDBHSA-N 437.490 5.341 5 40 IKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(CC(c1ccccc1)c1ccccc1)C3 20610033 VFZUSZSVHMOHTN-UHFFFAOYSA-N 433.507 5.930 5 40 IKBB biogenic Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C 21578630 QCFPJXCSJVTIQP-UHFFFAOYSA-N 435.867 6.234 5 40 IKBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 34703509 QSTMPBNDFBXSBD-MRXNPFEDSA-N 441.494 5.471 5 40 IKBB COc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 226070870 NYDPHBRCQQONNF-QFIPXVFZSA-N 428.637 5.307 5 40 IKBB Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2ccccc2o1 1411750 AEVCRBTUIRDKCI-UHFFFAOYSA-N 439.427 6.224 5 40 IKBB COc1cc(Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc(OC)c1 2949074 BDDMRCGJSNVJOP-UHFFFAOYSA-N 448.504 5.591 5 40 IKBB Cc1ccc(OCc2nc(C)c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)s2)cc1 10903259 KLVLAWXMIPHTCX-UHFFFAOYSA-N 445.928 5.173 5 40 IKBB O=[N+]([O-])c1ccc(-c2csc(/C=C/c3cccc(Oc4ccc(Cl)cc4)c3)n2)cc1 33705583 JOHYHYPMOYAKQM-YIXHJXPBSA-N 434.904 7.334 5 40 IKBB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 409101076 PJJPYHOPVQGPOP-UHFFFAOYSA-N 446.532 5.457 5 40 IKBB Cc1ccc(-c2nn3c4ccc(NC(=O)c5ccccc5)cc4nc3c3ccccc23)cc1 1303101 PFSYVEMJZVKIIH-UHFFFAOYSA-N 428.495 6.263 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 1839963 VXNBBKLOOUDURJ-AWEZNQCLSA-N 449.894 6.822 5 40 IKBB CC(C)CC(=O)Oc1cn(C2CCCC2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9009903 OSLVRDSIJGCDQD-UHFFFAOYSA-N 432.568 6.102 5 40 IKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)cc3)sc2c1 9367887 LGSOERWCERBJFH-UHFFFAOYSA-N 445.525 6.647 5 40 IKBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCC2)c(C(C)(C)C)c1 226071141 KFCGRKKUXWCJRM-DEOSSOPVSA-N 442.639 5.971 5 40 IKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 408573157 SQTZZDIHWLBNCV-MRXNPFEDSA-N 443.743 5.646 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 408607219 JZTZFJSTPSIERE-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 409178707 LXNVOBDEAKADJF-FQEVSTJZSA-N 430.243 5.683 5 40 IKBB CCCCCN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409216020 HJPIMDPLZUQTPY-HMAPJEAMSA-N 449.532 5.824 5 40 IKBB Cn1c(=O)c2ccccc2n2c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c12 3217714 MCFIRZDFQQRCAD-UHFFFAOYSA-N 435.405 5.216 5 40 IKBB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20611336 LYRSOSHYZVABRI-UHFFFAOYSA-N 445.913 5.126 5 40 IKBB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409110290 BASNGCHOWRHABM-UHFFFAOYSA-N 442.899 5.847 5 40 IKBB COc1cc(-c2nc3c([nH]2)c2c4cccc(C)c4ccc2c2occ(C)c32)cc(OC)c1O 1547139539 SLPFNYSEACAXJP-UHFFFAOYSA-N 438.483 6.622 5 40 IKBB biogenic COC(=O)c1cc(-c2c(C)oc3cc(Oc4ccc([N+](=O)[O-])cc4)ccc3c2=O)c(C)o1 3171817 QAHMVWAAYQCLTB-UHFFFAOYSA-N 435.388 5.157 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc12 10010569 AISHFRDLABSHQB-UHFFFAOYSA-N 435.461 5.044 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 409183090 PSSOTHFDCIUQFP-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)/C=C/c1ccccc1 2270479 ZQKJOJZPXTVIKE-DLURSJRLSA-N 426.516 6.130 5 40 IKBB Cc1ccccc1Nc1nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(=S)s1 12631585 QTGNPGZRJQRIFQ-UHFFFAOYSA-N 435.962 5.377 5 40 IKBB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cc1 103116500 XPRBOWAKIFLGLQ-NRFANRHFSA-N 440.286 5.986 5 40 IKBB COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408626141 ZGXVKUMXTBHCRD-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB O=[N+]([O-])c1cc(Br)c2ccccc2c1Nc1nc2ccccc2nc1Cl 408756620 IJPKEWRURQBDCC-UHFFFAOYSA-N 429.661 5.851 5 40 IKBB Cc1ccc(-n2nc(C)c(/C=C/c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1C 408992495 ADXFGJQNZNZFJI-BQYQJAHWSA-N 437.412 5.001 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(Br)ccc1O 409178300 GKIYYELFYNLSRK-UHFFFAOYSA-N 444.237 5.212 5 40 IKBB O=c1c2ccccc2sc2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c(=O)c12 2217358 FEMXASXNIWTZED-UHFFFAOYSA-N 430.916 5.340 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2433396 BMFHILZHTQICBB-AWEZNQCLSA-N 431.927 5.525 5 40 IKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(Nc2ccc(F)cc2)sc1=S 12745030 RUKAGQRCQVTFLV-UHFFFAOYSA-N 439.925 5.208 5 40 IKBB CCOc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 409179264 OGKMDPVHSYWHQF-UHFFFAOYSA-N 428.444 5.566 5 40 IKBB CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9186659 SWXIXXKIQFWSMI-ILBGXUMGSA-N 429.476 5.624 5 40 IKBB Clc1ccc(-c2nc3nc(-c4ccccc4)cc4c5ccccc5oc(n2)c34)c(Cl)c1 16492818 VZKTZOFVQRZFFJ-UHFFFAOYSA-N 442.305 7.565 5 40 IKBB Cc1c(O)ccc2c1oc1c(-c3cccnc3)c3c(O)nn(C4CCCCCCC4)c3nc12 79481906 OHZSLTRDJZRLMA-UHFFFAOYSA-N 442.519 6.398 5 40 IKBB COc1ccc(Oc2c(C)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 2377897 TUFWFOOZLQMMKL-UHFFFAOYSA-N 433.416 5.390 5 40 IKBB biogenic O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cccc([N+](=O)[O-])c1 143934975 ZXFNWRIKAJELNY-UHFFFAOYSA-N 446.846 5.503 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181091 SHIPMSQTVFILIN-DHIUTWEWSA-N 442.500 5.427 5 40 IKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408604839 FKMDSSMNJJVDGI-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB Cc1nnc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)o1 408632022 AMWVIFLSIRSYCH-CXUHLZMHSA-N 449.897 5.309 5 40 IKBB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 409340500 YFDYHEYLAGIXCG-AREMUKBSSA-N 435.483 5.961 5 40 IKBB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2196110 BNVSHHCRBPSONK-UHFFFAOYSA-N 426.388 5.310 5 40 IKBB O=[N+]([O-])c1ccc2c(O)c(-c3ccc(-c4[nH]c5cc([N+](=O)[O-])ccc5c4O)cc3)[nH]c2c1 3844967 NNGAYBFTJGAWND-UHFFFAOYSA-N 430.376 5.211 5 40 IKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1coc2ccc([N+](=O)[O-])cc12 165934030 LYJXSNAJRFHCQP-UHFFFAOYSA-N 435.417 5.653 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1 408696288 ZHTJKITZDAXLKM-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722738 MULWHCIHWZZVNW-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc(C)cc2)cc1 2246271 XJKJRKGJFHLSLH-UHFFFAOYSA-N 445.526 5.008 5 40 IKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 2302979 YLEKGOUMIAZJQY-SANMLTNESA-N 430.504 5.495 5 40 IKBB CCCCCn1cc(OC(=O)CCCC)c2c1nc(CCCC)n1c3ccccc3nc21 2390428 FWCGTXGECSYHCB-UHFFFAOYSA-N 434.584 6.466 5 40 IKBB O=C(Nc1ccc(Br)cc1Br)c1cc([N+](=O)[O-])ccc1Cl 17098791 COVYRFGGZFHZIR-UHFFFAOYSA-N 434.471 5.026 5 40 IKBB CCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 20183463 VMZSIOPVRNDUCM-UHFFFAOYSA-N 438.487 6.164 5 40 IKBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccc(Cl)c1 28284618 OGTLFZKMPDDWJP-UHFFFAOYSA-N 430.869 5.406 5 40 IKBB CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc([N+](=O)[O-])cc1 78824096 YNQMAQAXPAUTQP-UHFFFAOYSA-N 442.269 5.211 5 40 IKBB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225565262 LACWAHFTIFNFCP-GOSISDBHSA-N 426.513 5.076 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 408830308 NYHIIVAQQVFVFQ-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB Cc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408976919 SXQYTKVRMAFJKC-UHFFFAOYSA-N 430.471 5.832 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(C(C)(C)C)cc1 2338510 TZVLCVVJHHUYNU-UHFFFAOYSA-N 425.532 6.123 5 40 IKBB CCSc1nnc2c(n1)O[C@@H](c1c3ccccc3cc3ccccc13)Nc1ccccc1-2 2736569 BPKKELWGFPWIKY-DEOSSOPVSA-N 436.540 6.460 5 40 IKBB Cc1c(Cl)cccc1-n1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 3441531 OLHRKAAUPYRRSK-UHFFFAOYSA-N 437.912 5.492 5 40 IKBB CCc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 8782966 HJWOATXMXDVDQE-VWLOTQADSA-N 430.548 6.881 5 40 IKBB O=C1N[C@@H](c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)Nc2ccccc21 59488535 ZKKWCFGZYFXVHB-QFIPXVFZSA-N 428.473 5.148 5 40 IKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408610668 RGRPOCOZTGDZSJ-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2ccccc21 409118996 ROXIZNYWVGALDY-MOSHPQCFSA-N 434.879 5.734 5 40 IKBB CCOc1ccc2nc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)sc2c1 13132000 KPCCPNHVVMXYMW-UHFFFAOYSA-N 440.525 5.092 5 40 IKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14270483 URMLZAHGRZGUCA-UHFFFAOYSA-N 448.529 5.307 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14273150 QFRQMRILJZCOOS-UHFFFAOYSA-N 448.445 5.066 5 40 IKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408577059 YNGBPKXQUSRQLR-NRFANRHFSA-N 426.542 5.208 5 40 IKBB O=C(Nc1ccccc1C(=O)N1CCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409024362 KIDXDDHDEDKQFQ-PTGBLXJZSA-N 441.487 5.010 5 40 IKBB Cc1cc2c(cc1C)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C[C@@H]2C 1745094 QFMCXYDQNICCQV-AWEZNQCLSA-N 442.968 7.012 5 40 IKBB Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 13669284 LARVHUYWHGXMOJ-UHFFFAOYSA-N 448.953 5.650 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 14273184 XVBGYMZMHUCXQM-WUXMJOGZSA-N 446.846 5.674 5 40 IKBB CN(C)c1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 104372658 PEVSDBLTNSNGLU-UHFFFAOYSA-N 429.574 5.873 5 40 IKBB O=C(Nc1cccc(Br)c1)c1ccc2sc3nc4ccccc4nc3c2c1 408976425 RCWBNFBTSVTGNC-UHFFFAOYSA-N 434.318 6.013 5 40 IKBB CCOP(=O)(OCC)[C@H](Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 2050612 YJZIMHHRCXPDRI-KRWDZBQOSA-N 432.335 5.990 5 40 IKBB O=c1c(-c2nc3ccccc3s2)c2sc3ccccc3n2c2ccc([N+](=O)[O-])cc12 2232469 JNVJRBOPQSPKCS-UHFFFAOYSA-N 429.482 5.852 5 40 IKBB Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)Nc1cccc(C(F)(F)F)c1 3027710 CJOYYRQMROVADV-UHFFFAOYSA-N 432.785 5.574 5 40 IKBB O=c1c2ccccc2c2nc3c(c(-c4cccc(Br)c4)c12)c(=O)c1ccccc13 3087901 ICYOVCIZBVPJAX-UHFFFAOYSA-N 438.280 5.720 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4554563 LZXALZJVVLDKIM-SOBPHIITSA-N 425.554 5.967 5 40 IKBB COc1ccc(C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](c3ccccc3)C2)cc1 8692032 CIUJRBUERMUQIZ-NRFANRHFSA-N 435.867 5.248 5 40 IKBB aggregator Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409140470 DWIQXUUBFQSOSA-PXLXIMEGSA-N 448.500 5.832 5 40 IKBB Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1415735 OPSBHVMEAPRZQI-UHFFFAOYSA-N 430.411 5.898 5 40 IKBB Cc1csc(Sc2ccc(C(=O)OCc3nc4ccccc4s3)cc2[N+](=O)[O-])n1 3393820 XVPZENBRQWYKFW-UHFFFAOYSA-N 443.531 5.478 5 40 IKBB CCCCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@H](C)O 4522809 YDTWYSPDSFVSJK-INIZCTEOSA-N 433.017 5.271 5 40 IKBB CCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c([N+](=O)[O-])c1 8396982 OVHXOKAWLRKBPV-UHFFFAOYSA-N 436.251 5.516 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 10112684 XSRMNYMMVXWGIN-UHFFFAOYSA-N 448.953 5.650 5 40 IKBB CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183530 SIUHCPYSWRBLLH-UHFFFAOYSA-N 440.459 5.556 5 40 IKBB Clc1cccc(Cl)c1CSc1nnc2n3ncnc3c3c4c(sc3n12)CCC4 2443117 BAGFOBZCDVNBPE-UHFFFAOYSA-N 447.376 5.075 5 40 IKBB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C1=O 9389051 UEUAZRWAHRZCRW-MUUNZHRXSA-N 448.478 5.067 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccs1 22107532 CIBKUFOTIXSRSW-UHFFFAOYSA-N 447.944 5.099 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Br)ccc1O 16401656 WLADCDWZKKFRGJ-UHFFFAOYSA-N 444.237 5.212 5 40 IKBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)c1 33730911 QGIBYVHBQQLKGO-UHFFFAOYSA-N 435.343 5.098 5 40 IKBB O=C(Nc1ccc2c(c1)oc1ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223425717 QJTDNDGQRLCWTI-LFVJCYFKSA-N 434.451 6.674 5 40 IKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Sc1nc2ccccc2[nH]1 408634129 PLTIBEMBBNLIHW-DEDYPNTBSA-N 449.513 5.840 5 40 IKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1Cc3ccccc3[C@H]21 408994898 HOYZKHHBFLHCFU-ZKKGZRQESA-N 441.530 7.162 5 40 IKBB CC(C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409018285 KJMCVBXXYRGXFI-LPYMAVHISA-N 448.500 5.772 5 40 IKBB COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 409054341 VASNBOTXOVTUJH-UHFFFAOYSA-N 449.463 5.785 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccc(Cl)c2)no1 2437140 SMXJZGRUPWGFRW-NRFANRHFSA-N 442.858 5.646 5 40 IKBB COc1ccc(-c2noc(-c3ccc(N[C@H](C)c4ccccc4)c([N+](=O)[O-])c3)n2)cc1OC 8586989 WAMIWBUWSCAIPT-OAHLLOKOSA-N 446.463 5.502 5 40 IKBB COc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2C)c1 8984741 KBUSCPVOZSOERT-IZHYLOQSSA-N 429.432 5.143 5 40 IKBB CCCC(=O)Oc1cn(-c2ccc(CC)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9243096 AQXVBEPOVWUXNY-UHFFFAOYSA-N 440.547 6.047 5 40 IKBB COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)oc1ccccc12 14358381 IBDSQDWSMRMVGG-UHFFFAOYSA-N 445.475 5.745 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2NC(=O)c2ccco2)cc1 32624654 REYMXKVCSIZVGN-UHFFFAOYSA-N 448.460 5.124 5 40 IKBB Cc1nc(-c2cccc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)c2)oc1C 40155051 AOEDENOGYALZKC-HNNXBMFYSA-N 434.496 5.355 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 408558028 ROTAUBOOLLNOGN-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB COc1cc2ccnc(-c3c4ccccc4c(N)c4c(OC)c(OC)ccc34)c2cc1OC 1624059 CYOHXLOJNUNXSP-UHFFFAOYSA-N 440.499 5.825 5 40 IKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1cccc(F)c1 2751421 PEEPWHYNFRUXMH-UHFFFAOYSA-N 425.466 5.747 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1cn(-c2ccc(Br)cc2)c(S)n1 3189363 OPIPQWBCTYQRPZ-UHFFFAOYSA-N 449.329 5.850 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)cc2)cc1 8873120 VFSCUCHJXLWPBW-UHFFFAOYSA-N 442.475 5.862 5 40 IKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)c(C)c1 13059270 ZGGPUYXHKZESIJ-UHFFFAOYSA-N 430.533 5.675 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)c(Cl)c1 22076507 DJHFEEFSQYYXEF-UHFFFAOYSA-N 440.714 6.017 5 40 IKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100503933 RMGFKDJQJHLHGE-CNXCYTMISA-N 448.478 5.018 5 40 IKBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C\c1c2ccccc2cc2ccccc12 408730712 HIXMOBWBJJBIGS-STZFKDTASA-N 439.923 7.206 5 40 IKBB COc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409264762 RVSOSGLLKMIFOC-UHFFFAOYSA-N 446.406 6.691 5 40 IKBB O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1Cl 658485 SUDFGHQDACZLJT-UHFFFAOYSA-N 430.920 5.715 5 40 IKBB COCCCn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 9124698 APQPUBLSZLRACV-UHFFFAOYSA-N 436.556 5.024 5 40 IKBB O=C(CCCc1cccs1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 12795037 KSUHRZVNMYCWIU-UHFFFAOYSA-N 440.525 5.000 5 40 IKBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 13676503 KMSGRWVJDQBNFM-CJLVFECKSA-N 430.460 5.259 5 40 IKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)nc1 23043108 AOVHOJDECZNIQU-UHFFFAOYSA-N 448.291 5.348 5 40 IKBB O=[N+]([O-])c1ccc2c(CSc3nnc(-c4cccc(Br)c4)o3)c[nH]c2c1 59474750 UJFIHEYTLWGDEX-UHFFFAOYSA-N 431.271 5.181 5 40 IKBB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 100503855 JQDOQQPUNXVUDL-DOOQXGAZSA-N 448.478 5.018 5 40 IKBB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102602024 BTXNKOYASZLJGN-FQEVSTJZSA-N 431.452 5.332 5 40 IKBB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 215254685 OWPNBSDHIHLWNH-LPYMAVHISA-N 448.500 5.772 5 40 IKBB COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1415736 ZQCAAADMPTWJHJ-UHFFFAOYSA-N 446.410 5.598 5 40 IKBB O=C(OCCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 20435939 FTMNROIYGKPWFH-UHFFFAOYSA-N 447.963 5.113 5 40 IKBB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20610156 NYBOAIWSUUKGBG-WUXMJOGZSA-N 447.882 5.196 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc2ccccc12 224304638 YVZGOCZBXOUTAF-UHFFFAOYSA-N 428.444 5.588 5 40 IKBB O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224940496 XBQIXKANZLNKEE-NCELDCMTSA-N 427.504 5.764 5 40 IKBB Cc1ccccc1CSCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409027228 AWFDQLRGNBVZPU-JJIBRWJFSA-N 432.545 5.493 5 40 IKBB O[C@@H](c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1567998 GEHCOXATBTVZDU-PMACEKPBSA-N 428.281 6.494 5 40 IKBB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 8951306 VKPLDDKXSPQUTI-KZOIKXMBSA-N 440.543 6.438 5 40 IKBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372892 QVXATEMOVJXDAP-UHFFFAOYSA-N 441.491 5.088 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Br 409178998 MJYGAZAEEXMXCL-UHFFFAOYSA-N 428.238 5.507 5 40 IKBB Cc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)(C)C)c1 959158 TYUFEQAWCYRPFO-UHFFFAOYSA-N 425.510 5.342 5 40 IKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)cc3)sc2c1 2068757 ZULHUUFUUWDLPQ-UHFFFAOYSA-N 448.460 5.649 5 40 IKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(OC)c2)cc1 9009425 HCLVLKJGAKAEBF-UHFFFAOYSA-N 448.504 5.152 5 40 IKBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 9019589 BHEHOUAICVJBBC-HNNXBMFYSA-N 434.883 5.137 5 40 IKBB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccc(F)cc1 20156290 DFEXIDOBIAQWEN-RDPSFJRHSA-N 447.422 5.056 5 40 IKBB c1cc2ccc3cc(CCCc4cc5ccc6cccc7ccc(c4)c5c67)cc4ccc(c1)c2c34 65740632 TVBVSYFFOLHMHN-UHFFFAOYSA-N 444.577 9.657 5 40 IKBB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4cccc([N+](=O)[O-])c4)cs2)[C@@H]3CCC1 96191684 BOIXCWYUJSGULY-JOCHJYFZSA-N 430.533 5.879 5 40 IKBB O=C(NCCC1=CCCCC1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975452 KMLRUEJYZZIRGM-UHFFFAOYSA-N 433.515 5.500 5 40 IKBB Cc1cccc(Oc2cc(NC(=O)c3ccc(Br)cc3)cc([N+](=O)[O-])c2)c1 851698 WQRDAOXBMHDOAA-UHFFFAOYSA-N 427.254 5.710 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2312922 FAHDWQRPQWSKQQ-UHFFFAOYSA-N 425.536 5.345 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17098298 QNTRJGXHYKMNMO-QPJJXVBHSA-N 433.247 5.822 5 40 IKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 20050052 PMEYMIBZNUERMS-UHFFFAOYSA-N 436.895 6.029 5 40 IKBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1Cl 408529569 MJNQBTHFMRSMMH-UHFFFAOYSA-N 447.834 5.717 5 40 IKBB CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)o1 408631504 JRWGFCQXPFZXSN-GZTJUZNOSA-N 443.506 5.218 5 40 IKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409179237 QPLPYMMOBXLZLH-UHFFFAOYSA-N 444.852 5.665 5 40 IKBB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 409357711 JOQUEGRBQLMNQY-UUYOSTAYSA-N 448.500 6.017 5 40 IKBB COC(=O)c1ccccc1SCc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 8781545 NIBHJTRABQCWJP-UHFFFAOYSA-N 445.949 6.478 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 408611550 SYROCRIHLKELQF-UHFFFAOYSA-N 428.488 6.338 5 40 IKBB CC(C)(C)P1c2c(cccc2-c2c3ccccc3cc3ccccc23)O[C@@H]1c1ccccn1 1772769072 OOWWKYOGZURVKL-WXTKOERCSA-N 447.518 8.052 5 40 IKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCC(=O)Nc2cc(C)on2)ncnc13 1327861 PLPSAKQDAXFUQH-UHFFFAOYSA-N 435.534 5.037 5 40 IKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)cc2)cc1 2257193 OUZQJEPZDMGYHC-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB CC(=O)N[C@@H](CC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12)c1cccs1 21327200 SHRFBKXMDIVNPB-FQEVSTJZSA-N 442.544 5.217 5 40 IKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)cc(OC)c1O 96114123 HPRLHTGMRNLFHZ-UHFFFAOYSA-N 433.464 5.315 5 40 IKBB biogenic COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc([N+](=O)[O-])o4)C3=C(O)C2)cc1 100429188 LCZUKGLXFDKHQR-MYYSRTQBSA-N 431.448 5.825 5 40 IKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c1 2436686 ZLNUREUMMCPWRU-UHFFFAOYSA-N 425.536 5.255 5 40 IKBB O=Cc1cc([N+](=O)[O-])ccc1SCCCCCCSc1ccc([N+](=O)[O-])cc1C=O 4118520 JRDDBXVPXRZTOO-UHFFFAOYSA-N 448.522 5.573 5 40 IKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 51330327 RUMZSDFKUNSUKI-PKODMZNJSA-N 445.469 6.674 5 40 IKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1 1815981 UTLDQMAKOZHULO-MTJSOVHGSA-N 434.835 5.172 5 40 IKBB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccccc1[N+](=O)[O-] 1883475 MNIIQFHLJVZOKC-UHFFFAOYSA-N 449.894 5.484 5 40 IKBB Cc1nc(-c2ccc(CCNC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)cs1 9645408 GXPABQWOEFDWGX-UHFFFAOYSA-N 444.944 5.064 5 40 IKBB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20807821 HGNNQAVPESYAGU-UHFFFAOYSA-N 425.400 5.915 5 40 IKBB COc1ccccc1-c1nn(Cc2cccc([N+](=O)[O-])c2)c(-c2ccccc2OC)c1Cl 22528996 QSRBBLNOKPFJLY-UHFFFAOYSA-N 449.894 5.844 5 40 IKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 408559284 ZBUMPEKKSGJWRL-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O[C@@H](c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1725683 FVVWTCZWVDUHPH-UXHICEINSA-N 427.388 6.206 5 40 IKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccc(C(C)(C)C)cc3)nc21 2226271 JMCIDHAHIRUAIK-UHFFFAOYSA-N 441.575 5.718 5 40 IKBB CC(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5425477 GUBGVNPLGHUQBE-UHFFFAOYSA-N 429.564 5.259 5 40 IKBB CC(C)C(=O)Oc1cn(Cc2ccc(F)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243693 NOKMIFBQAODOKJ-UHFFFAOYSA-N 444.510 5.709 5 40 IKBB COc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 22524947 NCOWBPMRJVNRKV-HINJULBWSA-N 432.476 5.030 5 40 IKBB C[C@@H](c1ccccc1)N(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 48262201 WXUXJXVJKQZWOQ-FQEVSTJZSA-N 429.520 5.606 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc2ccccc12 224307248 WPHYWZAHJYFWMO-UHFFFAOYSA-N 442.471 5.896 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3c4sc(O)nc4S[C@@H]4[C@H]5CC[C@@H](C5)[C@H]34)o2)cc1 329779358 ZVGLNIAISAECNX-ZNSVPITBSA-N 426.519 5.669 5 40 IKBB O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 986082 HBRLWIIEKKGJQA-UHFFFAOYSA-N 425.824 5.009 5 40 IKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 12617046 SXPAHNHCVPJVML-XMMPIXPASA-N 440.455 5.593 5 40 IKBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 12860527 VPQYSPHIGIHWSI-UHFFFAOYSA-N 430.847 6.332 5 40 IKBB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 408734517 HHVVNDNTGHYDKG-UHFFFAOYSA-N 437.477 5.177 5 40 IKBB Cc1sc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)nc(O)c2c1C 408735628 VEBKTCJQANAGCZ-UHFFFAOYSA-N 446.282 5.611 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409176395 MFVLULYXSCPDIF-PWLKQHPYSA-N 439.515 6.144 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 1861315 VDXORODIYDGSCG-CQSZACIVSA-N 449.894 6.822 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13776597 KRRGBRVVMFNRFU-AUSIDOKSSA-N 449.850 5.219 5 40 IKBB O=C(O)c1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(Cl)cc1Cl 20139593 WNRQSAHFCRSKRD-UHFFFAOYSA-N 445.667 5.720 5 40 IKBB CC(C)c1ccc(Nc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)s2)cc1 3370574 XCKNEJWSMZGEKE-UHFFFAOYSA-N 444.538 5.472 5 40 IKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1NC(=O)C(C)C 8770614 SASXXJVSZZSHDV-UHFFFAOYSA-N 447.900 5.318 5 40 IKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 14272312 KXHRNZQWMRCUPB-UHFFFAOYSA-N 445.475 6.096 5 40 IKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])c3)oc2cc1C 40717284 FKPNBSFLZRNYKG-UHFFFAOYSA-N 431.448 5.346 5 40 IKBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409352519 WHZHJZGOPLSKDV-CPNJWEJPSA-N 449.444 5.032 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 21005975 WHPFNTGPFREIEV-UHFFFAOYSA-N 431.473 5.646 5 40 IKBB CC(C)Oc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)cc1 36350555 SWXIXXKIQFWSMI-NOZRDPDXSA-N 429.476 5.624 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] 214333846 HMQSFWBTNZWDHV-RGVLZGJSSA-N 438.436 5.539 5 40 IKBB C[C@@H]1C[C@@H](C)C[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 36631449 ADAOHCAHEMYLFX-GKAFBRTNSA-N 430.612 5.786 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960151 CVNCUONQXPEYNE-UHFFFAOYSA-N 429.520 5.302 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(OC)cc1 224603946 YNDXVATVINDBIS-UHFFFAOYSA-N 436.464 5.142 5 40 IKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCC 408565496 CBQNOLLIOQQXJX-INIZCTEOSA-N 433.302 5.136 5 40 IKBB Cc1ccccc1NC(=O)CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178150 KWNHLGJORGXXAT-UHFFFAOYSA-N 434.448 5.158 5 40 IKBB CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2242322 JKDZFXGIRPCTHP-UHFFFAOYSA-N 447.878 5.502 5 40 IKBB COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccccc1Cl 19630648 NYOHWGWSTUXNLY-UHFFFAOYSA-N 439.855 5.070 5 40 IKBB COc1cc2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl 32126667 ZJDFOUWLKMSUAN-UHFFFAOYSA-N 429.841 5.379 5 40 IKBB CN(C)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)cc1 35313219 HSGFFOPLSGICCR-UHFFFAOYSA-N 445.573 5.190 5 40 IKBB Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2Cl)o1 1893347 ZHFIXYCKSHFIRD-UHFFFAOYSA-N 446.297 6.143 5 40 IKBB Cc1c(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cccc1[N+](=O)[O-] 9510122 OLLKIFKOXRFINE-UHFFFAOYSA-N 432.505 5.639 5 40 IKBB C=CC(=O)NCc1ccc(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc1 59936209 QVOMGEXXZDNAMI-UHFFFAOYSA-N 434.499 5.004 5 40 IKBB CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 100494057 AJXOZSWOGGYRDM-IBGZPJMESA-N 448.866 5.613 5 40 IKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 101331168 NMGJJAUPNDOWAY-UHFFFAOYSA-N 436.876 5.742 5 40 IKBB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107633528 RAJZROFXOZJBRV-UHFFFAOYSA-N 436.276 5.288 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2C)c1 408696031 VHXZDENJULRAFE-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)cc1 409181605 DLGMCBPAAICLBF-UHFFFAOYSA-N 432.476 5.502 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1C 2208725 ARIJZCCYOBJLRM-UHFFFAOYSA-N 445.526 5.143 5 40 IKBB O=c1[nH]n(C2CCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3ccc(O)cc3)c12 79192572 OZTGUYSFTWBGFO-UHFFFAOYSA-N 429.476 5.598 5 40 IKBB biogenic O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 408824297 GQTUXFONONYAOY-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 1060675 WKIWKAAWJHALEO-WOJGMQOQSA-N 426.837 5.749 5 40 IKBB COc1ccccc1C(=O)Oc1c(Sc2ccccc2[N+](=O)[O-])c(C)nn1C(C)(C)C 2718599 KEDPGDWSBMBBPZ-UHFFFAOYSA-N 441.509 5.234 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 9292319 GJOPLQUEPPDORD-ISKFKSNPSA-N 433.895 6.107 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ncc(-c2ccc(Cl)cc2)o1 11278366 XEFNVZILSQNXOB-UHFFFAOYSA-N 444.874 5.207 5 40 IKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 100503851 JQDOQQPUNXVUDL-JZKJUIAGSA-N 448.478 5.018 5 40 IKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=C(O)C1 102453484 KWNYXOMXLPNXQA-XMMPIXPASA-N 429.476 6.726 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223361840 WXYMBGYDLHJHOZ-FGZHOGPDSA-N 446.488 5.016 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)cc1 224504861 LKSJMKSIFDIIAQ-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Cl)cc4)n32)C1 2201447 FPQMOILYAKPOKX-LLVKDONJSA-N 440.985 5.057 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)(C)C 224175465 ZKFHJTMAOTWJJP-UHFFFAOYSA-N 448.519 6.041 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)c(C)c1 224210978 VFPMRVHAQKGHMR-UHFFFAOYSA-N 440.883 5.705 5 40 IKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cccc(C)c1 5021726 VQVYRLUFSIELLT-UHFFFAOYSA-N 425.536 5.201 5 40 IKBB COc1ccccc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nc2cc([N+](=O)[O-])ccc21 12560867 OFZFSRVCKBNCQV-UHFFFAOYSA-N 436.449 5.143 5 40 IKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 51330331 RUMZSDFKUNSUKI-MXVWBRBISA-N 445.469 6.674 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 408554260 CQXPALIFKFPULT-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB COC(=O)c1ccc2nc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)sc2c1 8904249 QCXJDBJDFNBOME-UHFFFAOYSA-N 447.881 5.112 5 40 IKBB Cc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CSC3)c(C)c1 9404471 BNVJSGRMBIWHNS-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 13946074 YDIDHSBWVNSKJI-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=C(O)C1 102453481 KWNYXOMXLPNXQA-DEOSSOPVSA-N 429.476 6.726 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181136 SHIPMSQTVFILIN-PKTZIBPZSA-N 442.500 5.427 5 40 IKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 408604104 DJNYKWFOLCCBHH-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1 408611453 SFFLDFSGQMTKRW-UHFFFAOYSA-N 446.290 5.531 5 40 IKBB Brc1cccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)c1 1857794251 NAVAAXULUJYITD-UHFFFAOYSA-N 449.351 7.761 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2288080 WIWNXMVNTYUSAD-UHFFFAOYSA-N 445.954 5.826 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)c1 6143793 SLHHMIUJWWIAPA-UHFFFAOYSA-N 446.264 5.306 5 40 IKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)c1c[nH]c2ccccc12 12546225 URHYXIRSFPFFDK-UHFFFAOYSA-N 446.463 5.529 5 40 IKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C 79188719 ZDVYVTOUJMWKBU-UHFFFAOYSA-N 447.491 5.373 5 40 IKBB biogenic Cc1cccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 409175709 APSZRRVKVOKBRD-UHFFFAOYSA-N 434.448 5.158 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1Cc1ccccc1Cl 2245634 XXGSEBIURORWLA-UHFFFAOYSA-N 443.938 5.501 5 40 IKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1 2288062 DSGVWMOCYMIADQ-MTJSOVHGSA-N 434.835 5.172 5 40 IKBB Cc1ccc(-c2cnc(-c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)o2)c(C)c1 6321604 GATLLNGCDPAYHK-UHFFFAOYSA-N 441.490 6.531 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)NCc3cccc4ccccc34)cc12 12360365 HDCCZRPGWOUNLH-UHFFFAOYSA-N 432.457 5.126 5 40 IKBB COc1ccc([C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 12551232 QMECOQCOKCDSKF-KRWDZBQOSA-N 440.809 5.211 5 40 IKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2c1 12651129 NGXHILMUBUOZKJ-UXBLZVDNSA-N 433.851 6.017 5 40 IKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl 19639780 FDQOLNQLJNWQNE-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)c1 940095 CYWGICTUZCDBNE-UHFFFAOYSA-N 431.400 5.330 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224189056 OLTSMJAHAFAZCD-GOTSBHOMSA-N 442.500 5.427 5 40 IKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc(Br)cc1 3235585 YYFINISIQDNXMD-UHFFFAOYSA-N 434.289 5.551 5 40 IKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)c1 8398768 HDCDQRMBZQTQLU-OAQYLSRUSA-N 439.334 6.715 5 40 IKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 9489338 ORVRVPKQXMCIHF-UHFFFAOYSA-N 432.789 5.976 5 40 IKBB O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1 1647647 HTXSNCDQUOKHEB-OAQYLSRUSA-N 437.546 5.376 5 40 IKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1cccc(OCc2ccccc2)c1 1898629 UTPAZEWFUQVQMA-CIAFOILYSA-N 434.835 5.172 5 40 IKBB Cc1cc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(C)n1Cc1ccccc1 16044026 WDBTYCXFGWHYOI-UHFFFAOYSA-N 432.505 5.437 5 40 IKBB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 32125012 GJEGFMXFMMAWND-KGENOOAVSA-N 448.525 6.295 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223361894 WXYMBGYDLHJHOZ-YADHBBJMSA-N 446.488 5.016 5 40 IKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225758141 SJUIYJFZLVJDJV-IBGZPJMESA-N 446.547 6.766 5 40 IKBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 409104240 CBFFJIYURXFAHN-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB Cc1c(Cl)cccc1NCc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409111053 AVPKBNLHJBKSTO-UHFFFAOYSA-N 436.817 6.980 5 40 IKBB Cc1ccc(-c2sc(-c3ccccc3)nc2-c2cc3c(ccc4ccccc43)oc2=O)cc1 3349869 XEDCCBONWHZCED-UHFFFAOYSA-N 445.543 7.712 5 40 IKBB CCCOc1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)cc1OC 8792293 ULEAVZKEEPZANQ-UHFFFAOYSA-N 434.495 6.056 5 40 IKBB biogenic CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408563701 WRINLNVHSRLCFE-QOCHGBHMSA-N 436.320 5.501 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2CCC1=CCCCC1 2320171 WJPTVYJZDCISFO-UHFFFAOYSA-N 441.579 5.999 5 40 IKBB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl 9581004 VBNPTFOJQVXLOL-UHFFFAOYSA-N 440.864 5.235 5 40 IKBB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 9763323 ACBUBFLEJDLGMO-UHFFFAOYSA-N 437.452 5.244 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 12906572 SOXIMAVEXGDJQO-UHFFFAOYSA-N 442.699 5.460 5 40 IKBB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 13147575 DUTBDEGTOOBNRC-UHFFFAOYSA-N 434.452 5.075 5 40 IKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cc([N+](=O)[O-])ccc1Cl 32126465 QQXJGYLJTLRISH-UHFFFAOYSA-N 443.846 6.462 5 40 IKBB CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2338427 ADBARNGIJBPXJC-UHFFFAOYSA-N 447.878 5.502 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2413727 PVJJTDIMRWUSPN-QGZVFWFLSA-N 425.536 5.597 5 40 IKBB Cc1ccc(Nc2cc3sc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 4497817 YEGPTYGLODDMOV-UHFFFAOYSA-N 434.520 6.461 5 40 IKBB biogenic O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ccccc1 8720648 UNQIORNCZJEFRD-RUZDIDTESA-N 432.523 5.255 5 40 IKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 17096471 FHFFMFMSZGNSIF-UHFFFAOYSA-N 429.480 5.232 5 40 IKBB Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)cc1 408622557 RBWYXQOVXYMEBF-UHFFFAOYSA-N 433.847 6.840 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1Cl 2435364 IJCVUYUYHBROMA-UHFFFAOYSA-N 445.954 5.600 5 40 IKBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20797372 XEVTXUWZEFGNFU-HSZRJFAPSA-N 439.475 5.181 5 40 IKBB COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 408621364 NUPSAVNTKMLRDU-UHFFFAOYSA-N 449.846 6.540 5 40 IKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(c1ccccc1)c1ccccc1 863282 ULZBIOHYSCTMHZ-UHFFFAOYSA-N 432.461 5.102 5 40 IKBB CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2CCc1ccccc1 5030662 JCEMCJUGNHYLKB-KRWDZBQOSA-N 425.536 5.071 5 40 IKBB c1ccc2c(SCCSc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 5487246 NKOUFMUVMWFRRE-UHFFFAOYSA-N 448.616 7.974 5 40 IKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20145338 SHIIEXFDGHYFJG-JLHYYAGUSA-N 444.443 5.567 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1c(Cl)ccc2nsnc12 57315783 RFAYNXCLGCAZFR-UXBLZVDNSA-N 426.841 5.165 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1c(F)cccc1Cl 106741411 ITDZWDMXCZJFOZ-CHHVJCJISA-N 427.240 5.277 5 40 IKBB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 797187 BGMWPQOWWTWAFF-KOSHJBKYSA-N 443.503 5.518 5 40 IKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 1312271 YCJDVPBMFLYZSB-UHFFFAOYSA-N 426.428 5.158 5 40 IKBB CCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC 5021854 JZNFMQSWRZLTGZ-UHFFFAOYSA-N 425.532 6.282 5 40 IKBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 9089891 IFILWRLADRRHFI-UHFFFAOYSA-N 433.851 5.019 5 40 IKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9906656 ZIZALQKMNOGAIG-UHFFFAOYSA-N 440.415 5.619 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 409224472 LQQBDVOPVWBMTR-CIAFOILYSA-N 448.456 5.082 5 40 IKBB CCCCNC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568026 ZFDMAZSVXGDWNC-FQEVSTJZSA-N 430.297 6.742 5 40 IKBB Cc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 2068786 VEPMTFTUGAUCFD-UHFFFAOYSA-N 428.560 6.318 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2409840 AORRJHBGXFTNNZ-UHFFFAOYSA-N 443.526 5.371 5 40 IKBB CC(=O)c1ccc(SCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 16321915 PRASLTDKIWLPRY-UHFFFAOYSA-N 434.495 5.183 5 40 IKBB COc1ccccc1/C=C\c1cc(/C=C/c2ccccc2OC)c([N+](=O)[O-])cc1[N+](=O)[O-] 16926245 QOUIKXZFYIGUNQ-HEEUSZRZSA-N 432.432 5.861 5 40 IKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1 408976781 TXMOVOOPNRDDRF-IVCQMTBJSA-N 446.645 6.595 5 40 IKBB O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568056 KSGCZYIPRONJGM-SPLOXXLWSA-N 442.308 6.884 5 40 IKBB Cc1cccc(C)c1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 1839818 YAIFYOAHIHGXSR-UHFFFAOYSA-N 433.463 6.874 5 40 IKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 2288061 DSGVWMOCYMIADQ-CIAFOILYSA-N 434.835 5.172 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4554566 LZXALZJVVLDKIM-FIWAFFDQSA-N 425.554 5.967 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc(C(F)(F)F)c1 8386386 CQJGDMLZKJAXIF-JLHYYAGUSA-N 437.377 5.483 5 40 IKBB Cc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1Br 9111507 VCNLTLSFMKZMRS-LLVKDONJSA-N 446.305 5.182 5 40 IKBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1 9529497 HJSURBSRMNBNAF-OAQYLSRUSA-N 446.963 6.199 5 40 IKBB CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12900052 BHRSYAHFBBCUDM-UHFFFAOYSA-N 441.427 5.537 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 2076918 IABWAVCGRXORHB-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 2374505 CJQSQAMHTMHLBH-UHFFFAOYSA-N 449.898 5.577 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2414567 XJKHSKVLSQPPII-LBPRGKRZSA-N 435.890 5.356 5 40 IKBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cc(Cl)ccc1[N+](=O)[O-] 9391586 VGJMQKHPAAFXPL-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB O=[N+]([O-])c1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1Cl 9491126 NVBNANQOHPJDCA-DEDYPNTBSA-N 439.880 5.097 5 40 IKBB Cc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2c1 9829670 ISCDMSOCKIJGRG-XFFZJAGNSA-N 430.489 5.155 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 16610905 SSEAUPQMHVHSRC-OAHLLOKOSA-N 429.476 6.477 5 40 IKBB C[C@H]1C/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nc3ccccc3c(C(=O)O)c2C1 32642123 DIGOFBAGPRKIJL-JEFCNZTNSA-N 440.455 6.224 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1 106691083 NMRYHCBZSNGQCR-UUASQNMZSA-N 427.240 5.277 5 40 IKBB Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)cc1Cl 408558445 REXBRSZPPWZUOA-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB O=C(COc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 408560415 ZGCIFPWFNUUYPL-UHFFFAOYSA-N 446.290 5.531 5 40 IKBB O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3)n(CCc3ccccc3)c(=O)c12 2342784 XWXGAZXGFDEZKI-UHFFFAOYSA-N 428.875 5.066 5 40 IKBB Cc1ccc([C@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2)cc1 20482666 VHKIPLDPHDDEDJ-PCOPNOGXSA-N 448.522 6.350 5 40 IKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 106735252 XKXXNTDRABQQIN-CHHVJCJISA-N 427.240 5.277 5 40 IKBB CC(C)N(C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)C(C)C 408974704 CBYFKHURSWYYCA-UHFFFAOYSA-N 440.576 5.695 5 40 IKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)c2cccnc12 1093842 LLGPESOSISBEEW-UHFFFAOYSA-N 425.473 5.542 5 40 IKBB O=C(c1ccccc1)c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c([N+](=O)[O-])c1 1830252 OBCSHBQDYNFKHG-UHFFFAOYSA-N 447.450 6.228 5 40 IKBB O=C(OCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 3105638 UZSSJPABYVPNRR-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4554589 DPEVXLPYRRHXBG-YQLYKAFASA-N 425.554 5.967 5 40 IKBB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c([N+](=O)[O-])c1 6924668 XFZQMLOVVHCPDZ-UHFFFAOYSA-N 433.851 5.724 5 40 IKBB CCOc1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c([N+](=O)[O-])c1 9086863 ZRFTUXMVARKRCR-UHFFFAOYSA-N 448.415 6.711 5 40 IKBB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1 1911809 ZNHKIZJFTHJUBW-UHFFFAOYSA-N 430.869 5.406 5 40 IKBB CC[C@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 2333852 GGVFFOUQOSRUOO-DLBZAZTESA-N 439.563 6.077 5 40 IKBB CCOc1cc(/C=C2/SC(=S)N=C2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3043929 UNBSZQSNUJHVJI-LZYBPNLTSA-N 447.450 5.023 5 40 IKBB CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2CCC1=CCCCC1 5030667 DSRDVCSWAUOBKJ-KRWDZBQOSA-N 429.568 5.718 5 40 IKBB Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 8990019 LOZAUVLJTPQSGG-BKUYFWCQSA-N 428.444 5.135 5 40 IKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c2ccc2ccccc32)cc1 12485557 KJKUXLZRMIJXQZ-UHFFFAOYSA-N 426.863 5.835 5 40 IKBB O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccccc1-c1ccccc1 13028218 DEALORBJGUBCOC-UHFFFAOYSA-N 447.494 5.611 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 408557719 OMDOGVUPXAOAPU-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB C[C@@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 8442393 WCTWYXKSUJFMLH-UDFVPUEDSA-N 438.483 5.228 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 16525908 BFIDPCULUOTVAW-UHFFFAOYSA-N 445.494 5.668 5 40 IKBB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] 32832315 CQYJRAKBSDPDMC-GJZGRUSLSA-N 429.904 5.212 5 40 IKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)NC1CCCCC1 34719478 MDSLOENIJBUIFY-UHFFFAOYSA-N 438.560 5.499 5 40 IKBB O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 102975534 LRHYFWDUTCQRLG-OAQYLSRUSA-N 440.286 5.986 5 40 IKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1)c1ccccc1 408991709 OXNRGJGZXRRDMF-YVQVFXEXSA-N 440.499 6.111 5 40 IKBB Cc1cc(C(=O)c2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)ccc1Br 642881945 IWYHJINWRWCUIW-UHFFFAOYSA-N 435.274 5.244 5 40 IKBB COc1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc([N+](=O)[O-])c1 783161 BRHDOKNBJPGLNP-UHFFFAOYSA-N 429.476 5.476 5 40 IKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)oc2c1 2052839 COGVMAGFSWHLMM-UHFFFAOYSA-N 432.392 5.180 5 40 IKBB O=C(Nc1cccc(Cl)c1)OCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 3105625 CQOFSFHIFCVRAW-UHFFFAOYSA-N 433.247 6.443 5 40 IKBB CCCC(=O)Oc1cn(-c2cccc(CC)c2)c2nc(CCC)n3c4ccccc4nc3c12 9308781 GJIUMDOFKPRGLB-UHFFFAOYSA-N 440.547 6.047 5 40 IKBB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 13614735 JHHRLASDCSYYJQ-UUYOSTAYSA-N 448.862 5.480 5 40 IKBB Cc1ccc(S[C@]2(CN3CCC[C@@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 16310848 URRKEOIVUWSNJM-MZNJEOGPSA-N 440.565 5.050 5 40 IKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20969986 YVGKLCRKQPKXKL-QFIPXVFZSA-N 443.438 5.011 5 40 IKBB Cc1noc(/C=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1[N+](=O)[O-] 108134469 RRHXIYICXSEELZ-YWEYNIOJSA-N 449.688 6.057 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)cc1 108237319 UQNVCYPBZWIATM-UHFFFAOYSA-N 435.343 5.098 5 40 IKBB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1Br 408626169 ZVVYSJCVQWICCM-UHFFFAOYSA-N 435.661 5.831 5 40 IKBB Brc1ccc(-c2cn3nc4c5ccccc5c5ccccc5c4nc3n2)cc1 2366360 JVGURLMPNYXZCK-UHFFFAOYSA-N 425.289 6.013 5 40 IKBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2430324 XEGYJOXSRLDSDZ-UHFFFAOYSA-N 433.851 5.019 5 40 IKBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccc(C(C)(C)C)cc1)n1c3ccccc3nc21 6143812 VPBYLKQHEPELCC-UHFFFAOYSA-N 432.527 5.852 5 40 IKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 59417218 QYIIUCUGACMQJO-UHFFFAOYSA-N 436.773 6.312 5 40 IKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1 409198641 IYNPBYUMWHXKKE-IZHYLOQSSA-N 429.501 5.378 5 40 IKBB CCCCCC[C@H](C)C[C@@H](CCCCCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 5047571 RHMQUCJFHNCQBF-JTHBVZDNSA-N 434.621 6.677 5 40 IKBB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)nc2c1 6860408 FEHOLWGKFREXKP-UHFFFAOYSA-N 432.392 5.126 5 40 IKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 214502121 CDBLQCKGMGCRJV-CIAFOILYSA-N 434.473 5.708 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2C)c1 408693820 FIRQMXTZMUFIII-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB Cc1ccc(C(=O)Nc2ccc3nc4cc/c(=N/C(=O)c5ccccc5)cc-4oc3c2)cc1 8452182 RKUNCMCPBWSQLM-RRAHZORUSA-N 433.467 5.234 5 40 IKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccccc2[N+](=O)[O-])N1 9086878 DUULOWRIEMQLDU-NRFANRHFSA-N 428.473 5.127 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 22529012 MHZMVUWYKGEMTL-CQSZACIVSA-N 449.894 6.822 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 408606583 ITGDDEMNJGHYSO-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB CC(C)(C)OC(=O)N[C@H](C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 1781206 NUMZHJKDOYSNFP-QFIPXVFZSA-N 445.471 5.118 5 40 IKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccccc1F 2751420 VSIRHCUECHYOBG-UHFFFAOYSA-N 425.466 5.747 5 40 IKBB aggregator O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2Cc2ccccc2)c1 16044451 OSAHNMDWIPPEIJ-JOCHJYFZSA-N 436.309 5.709 5 40 IKBB O=[N+]([O-])c1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1 16524036 BTPCOAKSQWPMKB-UHFFFAOYSA-N 446.304 5.976 5 40 IKBB CC(=O)N1c2ccccc2N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 72333486 PMJUVBQNHIETOS-HSZRJFAPSA-N 430.420 5.122 5 40 IKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677918 LHOAZPKNMYCWIK-UHFFFAOYSA-N 432.520 6.233 5 40 IKBB O[C@H](COc1ccc(-c2ccccc2)cc1)C[N+]1(Cc2ccc(F)cc2)CCCCCC1 226072231 RZWZEZVXOGAGEL-MHZLTWQESA-N 434.575 5.823 5 40 IKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409177891 CSTRNUCSDGPSFP-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 1205968 BXVKTFXUTQNHAC-YBFXNURJSA-N 440.864 6.058 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 15634703 GPUSDQRGYSLPGD-UHFFFAOYSA-N 434.388 6.321 5 40 IKBB O=C(O)/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2o1 408633331 JYYDEUTZNIYVSK-BKUYFWCQSA-N 448.456 5.533 5 40 IKBB O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2989450 CWLYJACWLYZWEI-HMAPJEAMSA-N 446.484 5.410 5 40 IKBB CCC(C)(C)[C@H]1CC[C@@H]2Oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@H]2C1 6142738 KLOIUKFRCWQAQR-ZRCAFCQKSA-N 444.553 5.477 5 40 IKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 9095311 AVKCBTCOLLWHIE-UHFFFAOYSA-N 440.887 5.273 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc12 10010633 VYWLPIVFLWCVGV-UHFFFAOYSA-N 429.841 5.379 5 40 IKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 16214786 JTENUJMYRYKBSA-UHFFFAOYSA-N 441.915 5.038 5 40 IKBB O=C(/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc([N+](=O)[O-])c1)c1ccccc1 16711347 ICBAVVAQXQVKPX-GYHWCHFESA-N 435.892 5.509 5 40 IKBB O=C(NC12CC3CC(CC(C3)C1)C2)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 28467238 YDRMMSFHULARGT-GCCNEOPLSA-N 434.580 5.518 5 40 IKBB Cc1c(O)ccc2c1oc1c(-c3ccc(OCC(C)C)cc3)c3c(O)nn(C(C)C)c3nc12 79501649 CNDFPLBEMULNAN-UHFFFAOYSA-N 445.519 6.333 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 408559248 YSXABJZZTAJUAB-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)cc1 1327813 JFEJAELJWXLSML-UHFFFAOYSA-N 444.541 5.326 5 40 IKBB O=C(Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1)c1ccc(-c2ccc(F)cc2)o1 12374715 FVPQHYANWYFBRU-UHFFFAOYSA-N 449.890 6.720 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc2ccccc12 224633668 UJDYHAAHJHFGJA-UHFFFAOYSA-N 442.471 5.978 5 40 IKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 408572207 QVGGXRURUUJXFK-HXUWFJFHSA-N 436.895 5.818 5 40 IKBB COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 408552193 HYOKBJUSGDVTFY-UHFFFAOYSA-N 426.856 5.397 5 40 IKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180925 UYDWMNGXIBJEAE-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1cccc(C(F)(F)F)c1 9599923 FSFJKYYZCBFREU-UHFFFAOYSA-N 440.428 5.010 5 40 IKBB C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 24572841 NHORYLBBGUBWEA-ZDUSSCGKSA-N 436.459 5.107 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032375 IEYGESFJPGTDHJ-YADHBBJMSA-N 434.521 5.165 5 40 IKBB O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408908635 WZSXYLKIMDVDDD-CJLVFECKSA-N 438.936 5.697 5 40 IKBB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 409329576 GEIMGDUFXCIDMR-SANMLTNESA-N 435.483 5.961 5 40 IKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1c2ccccc2Sc2ccccc21 9191706 DAUBTNVJJOARFS-UHFFFAOYSA-N 434.502 5.393 5 40 IKBB COc1cc(OC)c2cc(-c3nc4ccccc4[nH]3)c(-c3ccc([N+](=O)[O-])cc3)nc2c1 12600255 FBDILCAEUXUVPK-UHFFFAOYSA-N 426.432 5.371 5 40 IKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1 409118021 YMXAHMXLEODUKA-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 4787268 SVROFGCYNSUQJB-QFIPXVFZSA-N 432.480 5.109 5 40 IKBB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1OC 8903908 XIKIZSLWTXFNKK-IZZDOVSWSA-N 445.431 5.072 5 40 IKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] 9299710 PTQDFDFUASIKIW-UHFFFAOYSA-N 438.237 5.418 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cccc(Cl)c1 9414196 FGBYBWWTQOZEIM-UHFFFAOYSA-N 435.823 5.499 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(Cl)c1 22076554 QQBBMPKORPHXHR-UHFFFAOYSA-N 440.714 6.017 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 57314093 PMANTBOXMVVNAR-UHFFFAOYSA-N 442.730 6.044 5 40 IKBB Cc1cc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1Br 408909040 GFARRZPZEPGYDJ-XSFVSMFZSA-N 437.293 5.845 5 40 IKBB COc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1F 9635105 MMUQLDZLSZIECE-UHFFFAOYSA-N 436.468 5.283 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2409009 DCWRJUJAFDAVBG-UHFFFAOYSA-N 431.927 5.517 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 6143796 KUVYQHMWIBJYMX-UHFFFAOYSA-N 436.258 5.851 5 40 IKBB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 33459228 USRJYURFVUQMRW-SNAWJCMRSA-N 433.085 5.591 5 40 IKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3ccc(O)cc3)c12 79189449 IURIWCKUPYQZMA-UHFFFAOYSA-N 443.503 5.988 5 40 IKBB biogenic COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1OC 79464494 YTMLDYGLTVHOIL-UHFFFAOYSA-N 433.464 5.315 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1Cl 224483138 XFHQGJHLHKDMHB-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 224913641 LDGZJYZFQUAWIX-UHFFFAOYSA-N 429.432 5.486 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Cl)cc1/C=C/c1ccccc1Cl 1714399 ZOBSHOPXQIJEGN-WGDLNXRISA-N 441.270 7.151 5 40 IKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccc(Br)s1 3259846 IXNXMKBDIXNKQU-UHFFFAOYSA-N 425.303 5.857 5 40 IKBB CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc(Br)c4O[C@]312 9183428 QAONQROHPBRWEJ-SFTDATJTSA-N 427.298 5.421 5 40 IKBB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1C 12651861 IYAVDGCSOMUITF-MOSHPQCFSA-N 447.878 5.505 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCCCC2)c(F)c1 21576266 URMXACMNTFKNJA-JLHYYAGUSA-N 435.455 5.636 5 40 IKBB CC(C)(C)c1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 33216075 GVNPEHMCCCMCCT-UHFFFAOYSA-N 425.488 5.232 5 40 IKBB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 59475359 VTXNKWDSNBEWLW-UHFFFAOYSA-N 426.453 5.700 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O 72260248 JAWJZXLEZJMLKF-UHFFFAOYSA-N 425.444 5.178 5 40 IKBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1O 819767 LUECYRNJFATCQI-UHFFFAOYSA-N 426.384 5.047 5 40 IKBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(Cl)c1-c1ccccc1 3150526 HKRIBBNUDPHKFW-UHFFFAOYSA-N 430.869 5.406 5 40 IKBB CC1=CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccc(C)cc21 8837279 MCIAMCRHHSUTOW-UHFFFAOYSA-N 426.925 6.614 5 40 IKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 9191790 XWSHNZVXRLBKHB-UHFFFAOYSA-N 427.247 5.697 5 40 IKBB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 59294083 XBEOHEYGBSXURE-FYWRMAATSA-N 434.448 5.464 5 40 IKBB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 199423943 KAEUUSMNKYRUGE-UHFFFAOYSA-N 430.464 5.080 5 40 IKBB O=C1Nc2ccccc2S/C1=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 409092443 YHIUSRSYOAEXCL-UDWIEESQSA-N 440.933 6.485 5 40 IKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(Br)cc2)cc1 409182102 IDDHLGZZMLLDNX-UHFFFAOYSA-N 442.265 5.293 5 40 IKBB Cc1oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 1447963 NLPPOHINITUKFY-UHFFFAOYSA-N 435.819 5.549 5 40 IKBB biogenic CCCCc1ccc2c(N)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)sc2n1 15276966 QJWGZDGKYRAYCY-UHFFFAOYSA-N 449.330 5.144 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Cl)cc1/C=C\c1ccccc1Cl 16926203 ZOBSHOPXQIJEGN-DSOJMZEYSA-N 441.270 7.151 5 40 IKBB CN1/C(=C\[P@@](=O)(Oc2ccccc2[N+](=O)[O-])c2ccccc2)C(C)(C)c2ccccc21 102223868 GUWVWDUIPAYFNV-PNBQBXPNSA-N 434.432 5.846 5 40 IKBB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 223652623 YXFVUCZNOHWAGX-UHFFFAOYSA-N 448.884 5.158 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2247448 CYWUTCMGQJWZGA-UHFFFAOYSA-N 429.911 5.361 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 16610724 RFHVTEJLMLABIZ-INIZCTEOSA-N 445.475 5.934 5 40 IKBB O=[N+]([O-])c1ccc(-n2cccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19321859 CZTOHZSROLENNM-UHFFFAOYSA-N 438.531 5.402 5 40 IKBB O=C(NCC1(c2ccccc2)CCOCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225730168 FQSIKZKDMYQHRW-NCELDCMTSA-N 442.515 5.000 5 40 IKBB COc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)c([N+](=O)[O-])c1 408634362 PZRDHYSOXSUPSC-ODLFYWEKSA-N 438.417 5.222 5 40 IKBB Cc1nn(C(C)(C)C)c(OC(=O)Cc2ccc(F)cc2)c1Sc1ccccc1[N+](=O)[O-] 2718568 FRWDCFUKNOQOBQ-UHFFFAOYSA-N 443.500 5.293 5 40 IKBB O=[N+]([O-])c1ccc(CN2CCC(c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CC2)cc1 4397292 VASFOCINEBSQMW-UHFFFAOYSA-N 430.430 5.383 5 40 IKBB O=[N+]([O-])c1ccccc1/C(Br)=C(\Br)c1ccccc1[N+](=O)[O-] 13403046 LJHPXTLMARIPGY-BUHFOSPRSA-N 428.036 5.119 5 40 IKBB O=[N+]([O-])c1ccc(Oc2ccc(COc3ccc(-c4cnc5ccccc5n4)cc3)cc2)cc1 16545604 VWSLAFVBSXPUFD-UHFFFAOYSA-N 449.466 6.576 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 19643278 GOVFKIWTCBZQDJ-OAHLLOKOSA-N 445.475 6.177 5 40 IKBB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20970457 KLCWBSIKIOAYMG-QHCPKHFHSA-N 439.475 5.181 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2[N+](=O)[O-])CC1 21595800 KVPJULADSXCHTQ-UHFFFAOYSA-N 429.476 5.983 5 40 IKBB CN(C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc2ccccc2c1 38202720 DJSAHPUKEZWQMK-UHFFFAOYSA-N 434.524 6.218 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 59459247 ZBRAOLXAGUFTBJ-UHFFFAOYSA-N 434.345 5.584 5 40 IKBB Cc1ccc(N2C(=O)/C(=C\Nc3ccc([N+](=O)[O-])c(Cl)c3)c3ccccc3C2=O)cc1C 102584388 SCWAFSYXPQTQQR-MOSHPQCFSA-N 447.878 5.505 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1[N+](=O)[O-] 214236283 DOQVWMAYZRYUQG-RGVLZGJSSA-N 438.436 5.539 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224189319 XRYZMVSGEUAXHO-GOTSBHOMSA-N 442.500 5.427 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 408555713 IBBMBYISCLEWCR-UHFFFAOYSA-N 443.297 5.557 5 40 IKBB O=C(COc1ccc(Cl)cc1Cl)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178556 MPTJPPQOUOVHSZ-UHFFFAOYSA-N 448.258 5.816 5 40 IKBB O[C@@H](c1cc2cc(Br)ccc2c2cc(Br)ccc12)[C@@H]1CCCCN1 1568006 VIODRJXQBOYKMH-PMACEKPBSA-N 449.186 5.694 5 40 IKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(OCc2ccccc2)c1 1898630 UTPAZEWFUQVQMA-MTJSOVHGSA-N 434.835 5.172 5 40 IKBB CCc1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3O)nc2c1 8991903 HWLORXWYLOHYFV-UHFFFAOYSA-N 437.839 5.577 5 40 IKBB Cc1ccc(N2C(=O)N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100034194 FHQBPOJQGVJSIL-SQJMNOBHSA-N 443.459 5.226 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(C)ccc2C)cc1 408693577 AISLPCIEZIQAMT-UHFFFAOYSA-N 427.464 5.020 5 40 IKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1Cl 408696060 VQMWEEQKNSAUTQ-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 797188 BGMWPQOWWTWAFF-UUOWRZLLSA-N 443.503 5.518 5 40 IKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccccc1[N+](=O)[O-] 2358241 FBOHLESJYRLPJQ-UHFFFAOYSA-N 443.846 6.462 5 40 IKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 9829719 ZJESWWCGNAZKBU-SOFGYWHQSA-N 440.481 5.047 5 40 IKBB CCc1nnc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)s1 16162595 VFLXMFOHLCVKGY-ROMGYVFFSA-N 440.553 6.509 5 40 IKBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17101128 KXSZOZWDPRCGFT-UHFFFAOYSA-N 437.308 5.364 5 40 IKBB Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409118063 PWONDNVXFAMKNJ-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1[N+](=O)[O-] 657078 VVXSSIALAQCGPP-UHFFFAOYSA-N 427.416 5.099 5 40 IKBB O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1c2ccccc2CCc2ccccc21 852635 QCHNHRBYKXZLJH-UHFFFAOYSA-N 434.904 6.540 5 40 IKBB O=[N+]([O-])c1cc(OCC(F)(F)C(F)F)cc(Oc2ccc3c(c2)oc2ccccc23)c1 4179965 SPEPHERLZYSMPI-UHFFFAOYSA-N 435.329 6.566 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1cccc([N+](=O)[O-])c1 9518390 DFQMEBXNJZHHQN-UHFFFAOYSA-N 437.358 5.124 5 40 IKBB O=C(Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 22079694 WEBXOKUJKBTNSL-AWEZNQCLSA-N 442.699 5.373 5 40 IKBB CCCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c(OCCC)c1 2095460 YYBYQQBRDKSIQE-YBFXNURJSA-N 444.871 5.170 5 40 IKBB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 16384258 HUEFXWMQGHIIDO-ACAGNQJTSA-N 442.052 5.009 5 40 IKBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC[C@@H]2C)cc1[N+](=O)[O-] 22079289 SIWLYWZFRPZUBW-ZDUSSCGKSA-N 437.418 5.253 5 40 IKBB O=C(Nc1ccc(Br)cc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294469 YQPSRHJIWPKXAO-UHFFFAOYSA-N 446.109 6.131 5 40 IKBB O=C(O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1 95478846 FVTIGDKUMRJSPM-UHFFFAOYSA-N 429.432 5.222 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C(C)(C)C)cc1 224184263 CJIBRPXSXJINIB-UHFFFAOYSA-N 434.492 5.732 5 40 IKBB CCOC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1C 13675296 SDIXBMZZZLXCMX-CJLVFECKSA-N 430.460 5.259 5 40 IKBB Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C)c(-c2ccccc2)o1 59432071 MMWBHLIHBIWZSW-HNNXBMFYSA-N 439.899 5.168 5 40 IKBB COc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408977925 ZPCAQSGBPPYLOK-UHFFFAOYSA-N 431.455 5.140 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 409178714 LXNVOBDEAKADJF-HXUWFJFHSA-N 430.243 5.683 5 40 IKBB Cc1ccc(C)c(-n2c(S)nnc2-c2cccc(COc3ccc(C)cc3[N+](=O)[O-])c2)c1 2793438 DAXBOTOJLSKAEB-UHFFFAOYSA-N 446.532 5.635 5 40 IKBB CCc1ccccc1NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792345 FGQRFRMMAFWAKO-UHFFFAOYSA-N 447.494 5.172 5 40 IKBB biogenic Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)cc1 8836735 PHKMJRPDPBTOLD-UHFFFAOYSA-N 445.526 5.008 5 40 IKBB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 8860144 QYIXLVMSSGUQDJ-HNNXBMFYSA-N 434.930 5.276 5 40 IKBB aggregator Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 8951513 LHNCAKKZDRLVQR-DCRMPLLGSA-N 441.531 6.203 5 40 IKBB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c(-n2c3ccccc3c3ccccc32)c1 169803927 WRFFPASSLHCGAS-AREMUKBSSA-N 436.467 5.997 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccc(Cl)cc3Cl)c2c1 8733506 CTMFCJNZUCLQGU-UHFFFAOYSA-N 448.693 6.201 5 40 IKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(Cl)c2)c1 44087372 ZVTHAOBXHQOGOX-UHFFFAOYSA-N 439.899 6.532 5 40 IKBB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536845 DHOTVINAZZLKHZ-UHFFFAOYSA-N 439.556 5.156 5 40 IKBB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 17138800 FOTUMLHMJQEFJV-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB C[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(NC(=O)C2CC2)cc1 58158270 OUFKHWPKUZVXKA-AWEZNQCLSA-N 439.899 5.708 5 40 IKBB C[C@H]([C@@H](O)c1ccccc1)[N@+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 253589545 MCPADCZUJLTWHH-KDRUDYBFSA-N 444.598 7.242 5 40 IKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2199222 IHLVNXRWTRNPQF-UHFFFAOYSA-N 425.536 5.453 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cc2[N+](=O)[O-])CC1 12594784 MWGGFMZAABSXAD-UHFFFAOYSA-N 439.846 5.338 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 15945767 FHBHKLZACIQMSX-BFUOFWGJSA-N 429.542 5.635 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)cc1/C=C\c1ccc(Cl)cc1 16926214 DQXLCWYBKTXKQI-JOTJMYPPSA-N 441.270 7.151 5 40 IKBB Cc1c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] 219960938 KXUNLOKMLYVPDG-UHFFFAOYSA-N 443.547 5.610 5 40 IKBB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409232714 BMXGCFPGESSKPM-DEDYPNTBSA-N 442.493 5.019 5 40 IKBB O=C1S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 409361518 CYJGDHAVSIVPPY-UNOMPAQXSA-N 439.880 5.339 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 2431169 RTKNQUHAODATCN-OAQYLSRUSA-N 442.858 5.646 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 2948926 VNNNPFIRIZJYSL-UHFFFAOYSA-N 432.461 5.303 5 40 IKBB C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13149768 RVIRDXGGSAMBNZ-AWEZNQCLSA-N 440.839 5.225 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 16401805 FQBIPNDLNDJWFT-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB Cc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(C)cc2)cc1 51330370 FBXZCKUUXLJREK-KPDXWJSVSA-N 437.543 7.013 5 40 IKBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 226070805 NYSMTTKBGCUXNR-QFIPXVFZSA-N 443.608 5.206 5 40 IKBB CC(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859439 HVBNGCBBUVVMIM-NOZRDPDXSA-N 431.488 5.943 5 40 IKBB O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 2640629 UWVGDYRAPKMEEE-UHFFFAOYSA-N 432.423 5.695 5 40 IKBB Cc1csc(Sc2ccc(C(=O)OCc3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])n1 3310738 OHCUGCDXVSHTBA-UHFFFAOYSA-N 442.562 6.165 5 40 IKBB COc1cccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 3381831 VWRIEJCRQIVNCY-SDNWHVSQSA-N 431.473 5.591 5 40 IKBB CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 3420402 WKZIDNPDAPXFOQ-UHFFFAOYSA-N 437.352 6.108 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145113 FIDDDEMFBYNOQM-KRXBUXKQSA-N 433.247 5.306 5 40 IKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408994130 GIXVXZGXFCIJQO-JNQIMCCTSA-N 441.530 7.162 5 40 IKBB CCOc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 409098658 JBXQDKORZBMVGO-UHFFFAOYSA-N 432.505 5.534 5 40 IKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 2302978 YLEKGOUMIAZJQY-AREMUKBSSA-N 430.504 5.495 5 40 IKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2F)cc1 2350785 WVDPDUPSQLUWAB-UHFFFAOYSA-N 436.468 5.283 5 40 IKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C 10120367 AHJSWTBTBQCDQX-UHFFFAOYSA-N 435.867 5.603 5 40 IKBB C[S@](=O)C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 96003638 WYKJILZFMDEBMA-HZAQMHFWSA-N 444.940 5.250 5 40 IKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2ccc(F)cc2s1 9829682 WQLAIKMQOOQSSI-UHFFFAOYSA-N 442.859 5.239 5 40 IKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1 408680282 GAKIMPMPHRQRSQ-QFIPXVFZSA-N 443.908 5.345 5 40 IKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(C)c2)cc1 2256844 ODUJPWPJFOGZQM-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB Cc1ccccc1C(=O)Oc1c(Sc2ccccc2[N+](=O)[O-])c(C)nn1C(C)(C)C 2718593 CGCBDNBAVQQRMN-UHFFFAOYSA-N 425.510 5.534 5 40 IKBB COc1ccccc1N(C(=O)c1ccncc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3338499 DGMQVHUOCGJJIA-UHFFFAOYSA-N 432.461 5.100 5 40 IKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 16283178 CPKWJQVDLCNTTF-UHFFFAOYSA-N 437.459 5.351 5 40 IKBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C 16779694 PCWUSWVLPAIIME-UHFFFAOYSA-N 429.476 5.730 5 40 IKBB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])cc1 101998961 XNEVWKGSYJRTPM-VWLOTQADSA-N 447.535 6.433 5 40 IKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1 210806760 CFZFWKCWZPFBFN-HZHRSRAPSA-N 438.508 5.668 5 40 IKBB COc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc1OCc1ccccc1 9805813 NCXGPCIFMIAOBA-UHFFFAOYSA-N 444.491 5.195 5 40 IKBB C[C@@H]([C@H](O)c1ccccc1)[N+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 16322593 MCPADCZUJLTWHH-MCOIAWIDSA-N 444.598 7.242 5 40 IKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 72229347 AIWPZUYFJMPHLD-UHFFFAOYSA-N 438.709 5.253 5 40 IKBB COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)s2)cc1 13114304 GVKRKMUYZJLEBW-UHFFFAOYSA-N 431.473 5.646 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1 15946236 UYTHHWOOXFVHKO-BUXKBTBVSA-N 445.541 5.341 5 40 IKBB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])cc1 101639463 IXJYBHCTDVPRFK-HSZRJFAPSA-N 433.508 6.043 5 40 IKBB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2281332 ULYZWBUUVLIJQR-DEOSSOPVSA-N 441.443 5.635 5 40 IKBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2736273 TYUMXIWDWYIZFI-JTQLQIEISA-N 438.292 5.431 5 40 IKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 19639809 SKFOCBTVCFBMBB-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB O=C(O)c1cn(C2CC2)c2cc(Oc3ccc(-c4ccccc4)cc3)c([N+](=O)[O-])cc2c1=O 72434025 WBJWYUHQAAMMRB-UHFFFAOYSA-N 442.427 5.402 5 40 IKBB CCCCN(CCCC)CCCCCCCC[C@H](O)c1cc2ccccc2c2ccccc12 4428816 BLMWOWMGDOWPPS-HKBQPEDESA-N 447.707 8.659 5 40 IKBB CC(C)C(=O)Oc1cn(-c2ccc(F)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243163 BSODFHSUEDFOEU-UHFFFAOYSA-N 430.483 5.650 5 40 IKBB CCOc1ccc(N=[P@@](Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)c([N+](=O)[O-])c1 12575459 DOYMDJXWTUMDKK-WJOKGBTCSA-N 442.452 6.846 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 13371664 ADISMYOXZQXBDG-UHFFFAOYSA-N 431.404 5.261 5 40 IKBB O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)ccc1Sc1ncccn1 14361478 TUIRPUQNHSLUNB-YCRREMRBSA-N 436.493 5.969 5 40 IKBB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 102975531 DXOTZYWODPHRBY-NRFANRHFSA-N 440.286 5.986 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 223368231 BXKHEYFHFMCZSL-FCHUYYIVSA-N 446.488 5.016 5 40 IKBB O=[N+]([O-])c1c(O)nc(/C=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)nc1O 409330091 JOLOHWXHOBCVOL-BENRWUELSA-N 449.850 5.352 5 40 IKBB CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2o1)C(=O)OC(C)(C)C 1857793526 GDGYFVDQKNSIPY-UHFFFAOYSA-N 427.841 5.062 5 40 IKBB CC[C@@H](C(=O)Nc1cc(Oc2ccccc2C)cc([N+](=O)[O-])c1)n1nc(C)c(Cl)c1C 2805387 HWQGVQJUWIZSCW-IBGZPJMESA-N 442.903 5.752 5 40 IKBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 16479619 AGWJNWSTRBVHKD-VFCFBJKWSA-N 448.522 6.364 5 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O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 1789055 VVRGLDDAAUKFJT-NDENLUEZSA-N 434.835 5.172 5 40 IKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1cccc(F)c1 2198449 UYVBATIRGPKMJK-UHFFFAOYSA-N 441.510 5.490 5 40 IKBB CCCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC 9087434 GTWBGAFMMRRTRO-UHFFFAOYSA-N 439.559 6.672 5 40 IKBB CN(c1ccccc1)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 12537607 LNEGXDOPYIZUQN-GHRIWEEISA-N 445.500 5.988 5 40 IKBB CCOP(=O)(OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccc(C)cc1 16806385 CBAQESFGDIFGMH-UHFFFAOYSA-N 445.412 5.062 5 40 IKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1 2293070 BCRWRYYKFIXORX-UHFFFAOYSA-N 437.547 5.660 5 40 IKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2433394 BMFHILZHTQICBB-CQSZACIVSA-N 431.927 5.525 5 40 IKBB Cc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(=O)oc3ccc4ccccc4c23)cc1 8384835 QSQMYOKSOZBFMB-UHFFFAOYSA-N 442.492 5.689 5 40 IKBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc(Cl)cc1Cl 9404461 DHWPVTAJQRGDLB-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223110450 FNRYYTHDSWAEPR-DHIUTWEWSA-N 447.564 5.086 5 40 IKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccc(Cl)cc1Cl 408582714 PJRWNYWBVAKTNG-UHFFFAOYSA-N 437.308 5.534 5 40 IKBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 408619544 IXINDHCMOMQRBW-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)C1 409000973 OFTLIKBHNZDRGN-IVCQMTBJSA-N 448.592 5.152 5 40 IKBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1 409196638 QNADVDVCLGHXQE-IZHYLOQSSA-N 445.500 5.079 5 40 IKBB COc1cc(OC)cc(C(=O)c2c(C)c(Sc3ccccc3[N+](=O)[O-])c3ccccn23)c1 3163868 YHIULRNMUFLGKY-UHFFFAOYSA-N 448.500 5.555 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1 13148153 FTIMBRNVSLGLLN-OVCLIPMQSA-N 435.439 6.742 5 40 IKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc([N+](=O)[O-])cc1Cl 17101665 GTXVNQQJQSULQJ-ZZXKWVIFSA-N 437.666 6.467 5 40 IKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 19645814 ANWFMRPKRFZJHM-UHFFFAOYSA-N 447.447 5.289 5 40 IKBB COCCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C3CC3)c21 36612843 NIYUQSDCTWNRBT-UHFFFAOYSA-N 436.509 5.011 5 40 IKBB COc1cc2nc3ccc(NC(=S)Nc4cccc5ccccc45)cc3nc2cc1OC 408996013 CNDRMSBWMIFGMA-UHFFFAOYSA-N 440.528 5.762 5 40 IKBB COc1cc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc(OC)c1OC 8670510 YMTXMQBCTYFQOI-OAQYLSRUSA-N 432.476 5.041 5 40 IKBB Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n(CC(C)C)c1C 9731149 PVYCEJPGRKZYCK-CYBMUJFWSA-N 444.479 5.202 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 16610806 RCGIGCFRIFRHDO-OAHLLOKOSA-N 429.476 6.477 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 17098741 KDYRPBUGTGMYNY-UHFFFAOYSA-N 434.304 5.490 5 40 IKBB O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 4014472 ZBMKVXRMPJPQTG-UHFFFAOYSA-N 442.431 5.521 5 40 IKBB O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 8426633 IBFHNACGMWOECV-UHFFFAOYSA-N 434.923 5.938 5 40 IKBB CCCCCC(=O)Oc1cn(CC(C)C)c2nc(CCCCC)n3c4ccccc4nc3c12 9124499 MCFLWBGRFGZSQT-UHFFFAOYSA-N 448.611 6.712 5 40 IKBB CCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 9529495 BFKKALMDYPJGJF-UHFFFAOYSA-N 426.545 5.177 5 40 IKBB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 13134681 LFTWLJNBIXROTO-AWEZNQCLSA-N 437.927 6.200 5 40 IKBB COc1ccc(-c2c(C)nn3c2N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]3c2cccnc2)cc1 14607616 CABZENKRUHPZHD-HSZRJFAPSA-N 439.475 5.284 5 40 IKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 20610601 BDPRXZWJNBRPEN-AWNIVKPZSA-N 427.464 5.104 5 40 IKBB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409119082 QLZSBCFKHPLNRF-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccccc1 2285007 JVVSMUSGWIQJRE-UHFFFAOYSA-N 445.526 5.089 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2413898 CBVYJSPAJMYDBB-UHFFFAOYSA-N 445.954 5.826 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 16610817 OGRXMUJUJGJRJO-HNNXBMFYSA-N 445.475 6.177 5 40 IKBB O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33618233 RDMPFXQJIWHQMF-UHFFFAOYSA-N 433.445 5.421 5 40 IKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)N1CCCCC1 210853577 FGJIUFMIQWUSOH-PXLXIMEGSA-N 430.529 5.042 5 40 IKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OC 225676963 KYZQIALCWIGGNJ-INIZCTEOSA-N 440.496 5.009 5 40 IKBB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409120815 URTSNENWLOYNNA-ZDLGFXPLSA-N 436.851 5.329 5 40 IKBB CC[N+](CC)(CC)CCOc1ccc(N(CC[N+](CC)(CC)CC)c2ccccc2)cc1 5333420 MNXZMFAWNWWPNI-UHFFFAOYSA-N 441.704 5.957 5 40 IKBB COc1ccc([C@H]2CCCN2C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)c2ccccc12 96118739 NCDHCPQVRGPYDR-JOCHJYFZSA-N 429.476 5.075 5 40 IKBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)cc1 101320208 HEAPAIZBIHHORW-UHFFFAOYSA-N 432.457 5.098 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(Cl)c(C)c1 224545971 RJYQFARMZNIXJU-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 1946337 PKZAADMPWWSSNN-AWEZNQCLSA-N 430.526 5.236 5 40 IKBB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 9076363 VGTWJQFHRPVPLM-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 13946071 JGYPMEMZOQNDJQ-UHFFFAOYSA-N 427.247 5.697 5 40 IKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408611548 SYNWAEQYXOZUCB-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1 409118895 VDJOCMBIRDQEBI-UHFFFAOYSA-N 426.472 6.578 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ncc(Cc2ccc(F)cc2)s1 951003 XXDWXEVAUQNFIJ-ZRDIBKRKSA-N 449.463 5.693 5 40 IKBB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cc(Cl)ccc1[N+](=O)[O-] 9391605 DBSPCUXFCCPYCS-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB C=C1c2ccccc2C(=O)N1CC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 9884733 ITTGHQUTVOARKL-UHFFFAOYSA-N 432.483 5.014 5 40 IKBB CCCCC(=O)Oc1cn(C2CCCC2)c2nc(CCCC)n3c4ccccc4nc3c12 13282735 CMTDHPOGAVWKPR-UHFFFAOYSA-N 432.568 6.391 5 40 IKBB Oc1ccc2c(c1)oc1c(C3=Cc4ccccc4OC3)c3c(O)nn(C4CCCC4)c3nc12 95480595 OKWOQMCOWMULBW-UHFFFAOYSA-N 439.471 5.790 5 40 IKBB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 215016599 DEIYVAHYNGRRRM-CIAFOILYSA-N 448.456 5.294 5 40 IKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@@H](C)CC)cc1 2406826 UBAAOXSTYRXTNB-INIZCTEOSA-N 425.536 5.516 5 40 IKBB CC[C@@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2424329 TWCOYVADESLEOR-IAGOWNOFSA-N 425.536 5.768 5 40 IKBB COc1ccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OC 8965657 KBELJUDXZSNERY-UHFFFAOYSA-N 428.441 5.155 5 40 IKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 12559282 JTKDEQILUMKEFN-UHFFFAOYSA-N 425.754 5.097 5 40 IKBB Cc1nc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc(C)c1C 12599430 XCZSSQMCARYXBP-LJQANCHMSA-N 442.928 5.436 5 40 IKBB CCCCOc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)cc1 36352166 JZJOSITYYOFAHZ-RSXGOPAZSA-N 443.503 6.016 5 40 IKBB Cc1c(O)ccc2c1oc1c(-c3ccc(OC(C)C)cc3)c3c(O)nn(C(C)C)c3nc12 79464471 WIMWJGRIYYIADU-UHFFFAOYSA-N 431.492 6.085 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(Cl)cc1 224502167 GMYVQNIVHTVQNY-UHFFFAOYSA-N 426.856 5.478 5 40 IKBB C[C@H]1C[C@@H](C)C[N@+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 245228631 ADAOHCAHEMYLFX-UFPVPOCKSA-N 430.612 5.786 5 40 IKBB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)oc(=O)c1ccccc12 1717020 KWLDLJHPVBNVLM-UHFFFAOYSA-N 435.435 5.564 5 40 IKBB C[C@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 14360657 MASYCKHCZVCTBZ-AWEZNQCLSA-N 438.310 6.484 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)Cc3cccc4ccccc34)c12 32594417 BJBDXYDZMQEXDE-UHFFFAOYSA-N 445.522 5.985 5 40 IKBB O=C(O)C[C@@H](C(=O)O)[C@@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1673204 PMCXMNWKMHPDIP-NAKRPHOHSA-N 434.491 6.454 5 40 IKBB CC(C)Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 2088705 ZMJXLIINCGBHOJ-UHFFFAOYSA-N 425.488 6.261 5 40 IKBB C[C@H](NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 3427758 LKCVJJMFDFQRSI-KRWDZBQOSA-N 428.513 6.390 5 40 IKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 8832201 DSWKGACMHDMXOK-KPKJPENVSA-N 441.491 5.412 5 40 IKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 8902956 RFTHQZOEZRHGGR-UHFFFAOYSA-N 435.867 6.432 5 40 IKBB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc(OC)c(O)c(OC)c2)[nH]c1-c1ccccc1 9010234 GVXKJECOLMDMJL-UHFFFAOYSA-N 447.447 5.050 5 40 IKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1Sc1ccccc1 9662484 DCRXLGBXUBDUPG-UHFFFAOYSA-N 442.880 5.195 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 17098728 ZOEKZSLDRUBWCN-UHFFFAOYSA-N 434.260 6.024 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)(F)[C@H](F)C(F)(F)F 32925677 SMKKGYSLXZXYAG-ROJDOSBLSA-N 434.292 5.119 5 40 IKBB COc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 9243202 WPKZOOMIXARMTG-UHFFFAOYSA-N 442.519 5.520 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1OC 224582212 LSEBFSUMWZSDMA-UHFFFAOYSA-N 436.464 5.142 5 40 IKBB Cc1cc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1Br 408620204 KZUZAYSMCCFUOJ-UHFFFAOYSA-N 435.661 5.831 5 40 IKBB CCCCOc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2251663 UKWICTCEZDYQFQ-UHFFFAOYSA-N 439.475 5.723 5 40 IKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2[N+](=O)[O-])c1Sc1ccccc1 2718495 SUKSGPQXZZZBHT-UHFFFAOYSA-N 431.473 5.459 5 40 IKBB CCC(=O)Oc1cn([C@H](C)CCc2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 9124201 YXGOAISVFBGCHF-GOSISDBHSA-N 440.547 5.909 5 40 IKBB O=C(OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 16477733 YVRMZRCZNDFMES-UHFFFAOYSA-N 444.409 5.401 5 40 IKBB CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 20411327 GJFQHOQGZMANFZ-UHFFFAOYSA-N 431.448 5.544 5 40 IKBB O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1ccccc1 40398707 GPWYRXFPEKYATO-UHFFFAOYSA-N 448.309 5.056 5 40 IKBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108906918 AQPRMXCPPDVWAN-UHFFFAOYSA-N 436.276 5.288 5 40 IKBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408562929 SJWDWXXWQDRDPI-LNVKXUELSA-N 429.929 5.464 5 40 IKBB COc1ccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)c(OC)c1 9496503 ZFWYGCGWZFLYCY-UHFFFAOYSA-N 428.441 5.155 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 16401581 UWRHRGVKSQHECJ-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB COc1ccc([C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 12551231 QMECOQCOKCDSKF-QGZVFWFLSA-N 440.809 5.211 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 16610907 SSEAUPQMHVHSRC-HNNXBMFYSA-N 429.476 6.477 5 40 IKBB CCOC(=O)c1c(C)n(CCNc2ccc([N+](=O)[O-])cc2)c2c1cc(O)c1ccccc12 16683026 SPJYHSDYUDKSNJ-UHFFFAOYSA-N 433.464 5.006 5 40 IKBB Cc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1-c1ccc(CO)o1 20139638 UMCTYIOLIOCIBG-UHFFFAOYSA-N 442.880 5.776 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)cc1 408563303 VEQUMQXLSRDCTM-LNVKXUELSA-N 429.929 5.410 5 40 IKBB Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408619596 JTESJTSKFGCEMI-UHFFFAOYSA-N 433.847 6.840 5 40 IKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 9190288 ISRSARZBHLLXJH-UHFFFAOYSA-N 439.427 6.224 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccc(Cl)cc3)cc2)c(Cl)c1 16401588 WREJDHGKYUSKED-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 33771851 DGKSKPHBZFSNQF-UHFFFAOYSA-N 446.426 5.040 5 40 IKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 44086069 RHKULQSIAYQBFK-UHFFFAOYSA-N 444.516 5.487 5 40 IKBB C[C@H]([C@H](O)c1ccccc1)[N@+]1(C)Cc2cc3ccccc3cc2-c2c(ccc3ccccc23)C1 253589547 MCPADCZUJLTWHH-ZVMHSHCWSA-N 444.598 7.242 5 40 IKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2)c1Sc1ccccc1[N+](=O)[O-] 2718507 PYFUDLRJNMWNML-UHFFFAOYSA-N 431.473 5.459 5 40 IKBB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cc1 9366776 ZYIMZZDTEQENTN-UHFFFAOYSA-N 440.428 5.010 5 40 IKBB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3c4ccccc4cc4ccccc34)C2)c(=O)o1 227173222 CBFKYFUNUOZLOG-DEOSSOPVSA-N 446.506 6.638 5 40 IKBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408563079 TZYDZRDXLYATRG-LNVKXUELSA-N 429.929 5.464 5 40 IKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1[N+](=O)[O-] 2055627 SZLFQFABBZYUCM-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1 4554559 KOFZUUDHTKTICQ-SFYYLJEJSA-N 425.554 5.967 5 40 IKBB O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3sc4ccccc4c3Cl)SC2)cc1 9631029 RUYWGSUQSNYURM-UHFFFAOYSA-N 427.898 5.080 5 40 IKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 17099722 XBOUDOFPAJYYGK-UHFFFAOYSA-N 435.871 5.105 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cccc(-c3ccc(CO)o3)c2)o1 20151049 IQHAYFBGMRDFJV-XYOKQWHBSA-N 444.443 5.567 5 40 IKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(F)(F)F 225756720 FPBXZSHIYXIMIA-UHFFFAOYSA-N 436.430 5.853 5 40 IKBB COc1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(OC)cc1Cl 408573261 AFCNRRBUFNBHGG-LDADJPATSA-N 438.867 5.445 5 40 IKBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1-c1cc2ccccc2oc1=O 8717066 QLIBQVFOGRGNSZ-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])s1 101639481 ANGLWXSGESBDSS-OAQYLSRUSA-N 439.537 6.105 5 40 IKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1F 408973359 APBFEFRYANDOPT-UHFFFAOYSA-N 434.434 5.663 5 40 IKBB COC(=S)Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NC(=S)OC)ccc12 1866257 UNFFHJCDDQUUFZ-UHFFFAOYSA-N 433.558 5.741 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3163495 OFCKBXVAUPXHDM-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 4109880 KQSWWKNTNYEIAB-UHFFFAOYSA-N 427.810 5.510 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n(OCc3cccc(C(F)(F)F)c3)c2c1 8733648 NIUHGHSNICICJN-UHFFFAOYSA-N 447.800 5.913 5 40 IKBB CCCC(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(CCC)n3c4ccccc4nc3c12 9243602 LHVHJITYTITYJJ-UHFFFAOYSA-N 446.938 6.138 5 40 IKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 409053068 WXZSMJJWFLPYKU-UHFFFAOYSA-N 437.427 5.916 5 40 IKBB O=C(Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1)c1ccccc1 850299 HXWFIYZUMACVEN-UHFFFAOYSA-N 427.416 5.359 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9411556 XCCBACCAKQHQRU-CVDCTZTESA-N 449.850 5.219 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc2ccccc2nc1Cl 11278431 YDENTEYGELDYIR-UHFFFAOYSA-N 428.875 5.100 5 40 IKBB CC1(C)CC2=C([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C1)[C@@]1(O)CC(C)(C)C[C@@](C)(C2)C1 17185137 ICBQGNBHOXRZKL-UKDVSSAZSA-N 426.557 5.161 5 40 IKBB Cc1ccccc1N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 69352479 BMNNYQFXEBBFNI-INIZCTEOSA-N 449.557 6.358 5 40 IKBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)c1 100964688 WSFCLRCGKYKQLH-SSOJOUAXSA-N 429.451 6.363 5 40 IKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1)c1ccccc1 408991707 OXNRGJGZXRRDMF-NNDYOELWSA-N 440.499 6.111 5 40 IKBB O=C(COC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)c1ccc(F)cc1 409176727 WAVMQBCLFHQMFD-UHFFFAOYSA-N 429.787 5.219 5 40 IKBB CC(C)Oc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 2668008 ZRWYFXBKGXPCKP-UHFFFAOYSA-N 446.348 6.336 5 40 IKBB O=C1c2ccccc2C(=O)N1c1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 2751416 DZIZDSOZVIIWOC-UHFFFAOYSA-N 433.470 5.156 5 40 IKBB C[C@@H]1CC[C@@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1 4149947 OPSSAWZOAYLHQW-LNHNDHHWSA-N 438.505 5.213 5 40 IKBB C[C@@H](NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4868645 USQVESHYRJRFAM-KNEUKCCGSA-N 425.573 5.310 5 40 IKBB CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409118357 QDFYYKJXXXBGAT-UHFFFAOYSA-N 441.325 6.111 5 40 IKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(F)c1 2309168 BHZLKBNWZLULGQ-UHFFFAOYSA-N 449.489 5.033 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2393111 DJJGYQVGUXETEN-UHFFFAOYSA-N 425.536 5.117 5 40 IKBB COc1ccccc1Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(Cl)cccc1Cl 12546835 GOLUCWFVTSWULF-UHFFFAOYSA-N 446.290 5.835 5 40 IKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc2ccccc2o1 14068373 VPLWWIJAXNNUIQ-UHFFFAOYSA-N 436.445 5.499 5 40 IKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 20411205 HAZVVLJQUDMHRR-UHFFFAOYSA-N 445.475 6.177 5 40 IKBB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538706 LZTWYKLYWPLEBL-MRXNPFEDSA-N 446.931 5.503 5 40 IKBB Cc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] 408802594 ZFMOAENOFBZBOT-HFSVPUNZSA-N 436.557 5.957 5 40 IKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 2333847 GGVFFOUQOSRUOO-SJORKVTESA-N 439.563 6.077 5 40 IKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2737710 SCTOQFNDNQRBPX-UHFFFAOYSA-N 426.643 5.771 5 40 IKBB CCCCCC(=O)Oc1cn(C2CC2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124589 YFPWCUOUNYKQLT-UHFFFAOYSA-N 432.568 6.391 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccc(F)cc3)c2)c(Cl)c1 16399577 MERCLPLYXGIELM-UHFFFAOYSA-N 429.879 5.168 5 40 IKBB Cc1ccc(-c2csc(=Nc3ccccc3)n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 254897615 MEESALJQUCAWEM-HSZRJFAPSA-N 431.517 5.399 5 40 IKBB COc1cc2c(c(OC)c1[N+](=O)[O-])C=C[C@]1(O2)N(c2ccccc2)c2ccccc2C1(C)C 3147019 PULZRCNWRPCWEM-AREMUKBSSA-N 444.487 5.843 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3c4sc(O)nc4S[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)o2)cc1 329779357 ZVGLNIAISAECNX-XJVKIMEISA-N 426.519 5.669 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 409182686 NHTIJRNTVZZWTI-SANMLTNESA-N 437.451 6.043 5 40 IKBB O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1 2057912 SRFBNJKHKMMINP-UHFFFAOYSA-N 433.467 6.692 5 40 IKBB O=C1c2ccccc2-c2c1c(-c1ccc(Cl)cc1Cl)nc1ccc3ccccc3c21 3079922 TWDYTCWGRFNQKJ-UHFFFAOYSA-N 426.302 7.573 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1C1CCCC1 8834537 COBITRBVZYKJSA-UHFFFAOYSA-N 449.436 5.418 5 40 IKBB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9413819 JYWQXPBILSLVBQ-UHFFFAOYSA-N 445.431 5.163 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 16610809 RCGIGCFRIFRHDO-HNNXBMFYSA-N 429.476 6.477 5 40 IKBB Cc1[nH]c2ccccc2c1[C@H]1c2cc([N+](=O)[O-])ccc2O[C@]2(N3CCOCC3)CCCC[C@H]12 19830795 XTTZLFDVYNCVHM-QGUKFAFCSA-N 447.535 5.128 5 40 IKBB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C 32116390 NDTNCLVRVPGNHY-BJMVGYQFSA-N 447.878 6.325 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccc(Cl)cc1Cl)CO2 61997693 NUYBUSCOFXJWQK-UHFFFAOYSA-N 426.299 5.914 5 40 IKBB biogenic CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225758074 CCPWULIMODNQRF-UHFFFAOYSA-N 446.547 6.768 5 40 IKBB C[N+]1(CCc2ccccc2)CCC(CCC2CC[N+](C)(CCc3ccccc3)CC2)CC1 4683898 BMRLHJAYGYKYHS-UHFFFAOYSA-N 434.712 5.965 5 40 IKBB CC(=O)Oc1cn(-c2ccc(Cl)c(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 8871217 RLSWGCWFAFZXEM-UHFFFAOYSA-N 425.275 5.367 5 40 IKBB Cc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 9829698 RDDJTHMDFRAQPS-ZHACJKMWSA-N 430.489 5.155 5 40 IKBB C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)[N+](=O)[O-] 107706444 SCMBZDLJARQDOT-RMKNXTFCSA-N 431.069 5.613 5 40 IKBB COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 408542141 HLGBVEHYOPPFEK-CLFYSBASSA-N 435.263 5.956 5 40 IKBB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 409340501 YFDYHEYLAGIXCG-SANMLTNESA-N 435.483 5.961 5 40 IKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2c(F)cccc2s1 9829717 VCZPZUJATBMIMB-UHFFFAOYSA-N 442.859 5.239 5 40 IKBB CC(=O)c1cccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)c1 13882173 FGTAMSNWFWNDMJ-IZHYLOQSSA-N 429.501 5.608 5 40 IKBB CCCN(Cc1ccccc1)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 38187900 VVRQCGBBSILIPL-UHFFFAOYSA-N 426.545 5.840 5 40 IKBB Cn1c(-c2c3ccc([N+](=O)[O-])cc3c(=O)n3c2[nH]c2cc(Cl)ccc23)nc2ccccc21 101263507 OBGYCKCCCVWZKK-UHFFFAOYSA-N 443.850 5.049 5 40 IKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408621633 OWZOLYSAZCCKHG-UHFFFAOYSA-N 434.835 6.553 5 40 IKBB O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)no1 3007431 QRCJGRTUNIDOFY-UHFFFAOYSA-N 435.367 5.139 5 40 IKBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc(C(C)=O)c2)cc1 6501590 HKLBVPXGCUJDSL-UHFFFAOYSA-N 441.487 5.175 5 40 IKBB Cc1cccc(NC(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])c4ccccc34)cc2)c1 8442503 VVXPIISRRMDEFF-UHFFFAOYSA-N 442.431 5.961 5 40 IKBB COc1cccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)c1 9292321 VUBARJQUSLEMDF-UHFFFAOYSA-N 442.519 5.520 5 40 IKBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140549 FJSZAJXJHFZFNU-UHFFFAOYSA-N 438.823 5.513 5 40 IKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 72229398 WIASZECBCVIFDO-UHFFFAOYSA-N 442.730 6.552 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223123404 LYZKQLSAOFDQSB-DHIUTWEWSA-N 448.548 5.555 5 40 IKBB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)c1 408609158 OJTSJICUHWUMLB-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409116617 OHJWZMWLYDNOQY-UHFFFAOYSA-N 426.900 6.065 5 40 IKBB CCCCc1nc2c(C)c(NC(=O)c3ccccc3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500041 DVHAPYBJLDGTHO-UHFFFAOYSA-N 443.507 5.291 5 40 IKBB O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cc2)cc1NCCOc1ccccc1 15162117 LMOXJWUIILMZFW-UHFFFAOYSA-N 427.888 5.230 5 40 IKBB O=C(O)c1cccc(Nc2nc(-c3ccccc3)c(Oc3ccc([N+](=O)[O-])cc3)s2)c1 16492321 XMJXTUIPFVMKPY-UHFFFAOYSA-N 433.445 5.952 5 40 IKBB Cc1nc(-c2cccc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)c2)oc1C 40155052 AOEDENOGYALZKC-OAHLLOKOSA-N 434.496 5.355 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3CCC[C@@H](C)O3)c21 90735023 SSGFYNWIMJIWJN-VLIAUNLRSA-N 446.499 6.095 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224188885 OLTSMJAHAFAZCD-DHIUTWEWSA-N 442.500 5.427 5 40 IKBB O=C(O)c1cccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 1312256 RMOFPXMJIHNLIH-UHFFFAOYSA-N 449.418 5.955 5 40 IKBB O=C(Nc1ccc(Cl)cc1)OCc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 1392289 QSALZRZYHUTJLC-UHFFFAOYSA-N 434.782 6.067 5 40 IKBB Cc1nc2ccc3nc(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)sc3c2s1 2474950 WBIPQQCMRAKPAL-UHFFFAOYSA-N 426.504 5.590 5 40 IKBB CCc1c(-c2cccc(OC)c2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1cccc(OC)c1 2733274 GYDVPPUMYJZBRA-UHFFFAOYSA-N 443.503 5.753 5 40 IKBB O=c1c2ccccc2nc2c3ccccc3c(SC(c3ccccc3)c3ccccc3)nn12 8433153 ZZTOBBADBQKWKU-UHFFFAOYSA-N 445.547 6.278 5 40 IKBB CCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2)c2c1cc(O)c1ccccc12 15303911 XLOUSSORFHVPSW-UHFFFAOYSA-N 447.491 5.396 5 40 IKBB COC(=O)c1ccc(Oc2ccc(-c3nc4ccccc4s3)cc2OC)c([N+](=O)[O-])c1 409268422 SYTJJBSQEYRPHQ-UHFFFAOYSA-N 436.445 5.459 5 40 IKBB CC(C)OCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 9124192 BLWFSVXDKHJSFP-UHFFFAOYSA-N 436.556 5.337 5 40 IKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c([N+](=O)[O-])c1 12617034 KOUPVPAISOMIOQ-QHCPKHFHSA-N 446.503 5.738 5 40 IKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] 72229149 WLDHVUBFKQYQJG-HNNXBMFYSA-N 429.948 6.177 5 40 IKBB CC(C)n1c([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)nc2ccccc21 72305835 IKAPPJKSFALZSQ-HNNXBMFYSA-N 441.919 5.590 5 40 IKBB O=c1cc(Nc2cc([N+](=O)[O-])ccc2Cl)[nH]n1-c1c(Cl)cc(Cl)cc1Cl 100285456 FUDXRBGRMHMPQC-UHFFFAOYSA-N 434.066 5.431 5 40 IKBB CCc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 8782965 HJWOATXMXDVDQE-RUZDIDTESA-N 430.548 6.881 5 40 IKBB O=C(COc1c(Cl)cccc1Cl)OCc1cc(=O)oc2ccc3ccccc3c12 9634484 ZPTGQIAZHWXYOR-UHFFFAOYSA-N 429.255 5.375 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1Cl 224483212 WDWKSRKAKLYZCJ-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1Cl 408534768 WOLYFVZSWNHTJE-UHFFFAOYSA-N 431.835 5.591 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C4CCCCC4)cc3)nc12 10010655 URFYLVXJVJDRBF-UHFFFAOYSA-N 441.509 5.278 5 40 IKBB COc1ccc(N2C(=O)CC[C@@H](Sc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 65090585 KUPPPQBRTMFCBP-VWNXMTODSA-N 434.517 5.632 5 40 IKBB O=Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 226767727 FRBWSODVMSQMHH-UHFFFAOYSA-N 439.221 5.073 5 40 IKBB Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1[N+](=O)[O-] 408543953 QZEJINCQWOVSQT-XBXARRHUSA-N 433.233 5.542 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccc(Cl)c1 408832928 SFMVLTWSQQWSAA-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9158664 KRRGBRVVMFNRFU-CVDCTZTESA-N 449.850 5.219 5 40 IKBB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 224913700 IHRSZZAEWFUQIJ-UHFFFAOYSA-N 429.432 5.486 5 40 IKBB Cc1cc(Br)ccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408610985 PJTUPANANGRVRD-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1 9391811 IIKRBOPTNUPEDO-UHFFFAOYSA-N 431.517 5.272 5 40 IKBB CCn1cc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cn1 13643812 PGNTVVJOWYHBRD-UHFFFAOYSA-N 447.474 5.375 5 40 IKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2401806 ZLQSRNCVAXQFAA-UHFFFAOYSA-N 445.954 5.351 5 40 IKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 2708458 VITPSJBDATXINU-LJQANCHMSA-N 425.315 6.859 5 40 IKBB O=[N+]([O-])c1ccc(Oc2s/c(=N\c3ccccc3)n(CCO)c2-c2ccccc2)cc1 8853724 IEHNXUULJPYLJL-VHXPQNKSSA-N 433.489 5.142 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccccc2)c(Cl)c1 16480535 VRTWIJPKGIFKHL-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771488 UCWGQKDMNIVEFJ-UHFFFAOYSA-N 434.492 5.224 5 40 IKBB COc1ccc(CNc2nc(SCc3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 2948799 RPRYLJZPRBZXBZ-UHFFFAOYSA-N 432.505 5.451 5 40 IKBB O=C(O)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccc3ccccc3c12 8861782 WNIRTOUEPDYFCG-UHFFFAOYSA-N 439.898 6.986 5 40 IKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 17097455 IQYLMECMPYJWNF-UHFFFAOYSA-N 431.448 5.589 5 40 IKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19630685 GCGYOQJQYJJOBK-UHFFFAOYSA-N 439.880 5.542 5 40 IKBB Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3c(O)nn(C4CCCC4)c3nc12 95476941 WEZYFQGMDOYUDO-UHFFFAOYSA-N 443.459 5.295 5 40 IKBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 222906836 DAQSZUGGZLMDKP-VKELSTCCSA-N 426.516 5.892 5 40 IKBB O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408567114 PRVBLZJYHJYTGH-LHLOQNFPSA-N 434.495 6.041 5 40 IKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc(F)c1 408570571 LKWPUGFFDYKCPH-JOCHJYFZSA-N 434.467 5.693 5 40 IKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1OC 706786 QBJCBPDPVZXYBS-IBGZPJMESA-N 436.895 5.914 5 40 IKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H](C)n5nc(C(F)F)cc5C)nc34)c12 22527898 XWPPEGHHWSIZTJ-SECBINFHSA-N 449.437 5.185 5 40 IKBB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] 32832309 CQYJRAKBSDPDMC-GASCZTMLSA-N 429.904 5.212 5 40 IKBB CC1CCN(c2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2[N+](=O)[O-])CC1 12634358 PKQNMHRKHZMYMW-UHFFFAOYSA-N 439.537 5.328 5 40 IKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 20847225 PTKMEJUBFLTBEP-UHFFFAOYSA-N 437.308 5.155 5 40 IKBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 33700337 NBQNDZKFKAIBQU-AATRIKPKSA-N 447.112 5.981 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1946339 PKZAADMPWWSSNN-CQSZACIVSA-N 430.526 5.236 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2435375 LWELHOQPLSNAQA-UHFFFAOYSA-N 439.563 5.672 5 40 IKBB COc1ccc(C(=O)Nc2ccc(-c3nc4ccc5ccccc5c4o3)cc2)cc1[N+](=O)[O-] 8984438 ZBPCMYFUFDNKDR-UHFFFAOYSA-N 439.427 5.817 5 40 IKBB COc1ccccc1[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C 12551335 VOBPDHVDVYBDRR-KRWDZBQOSA-N 440.809 5.211 5 40 IKBB COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1 16215868 OXSDOVHWGBPOGR-SAPNQHFASA-N 439.475 6.051 5 40 IKBB CC(C)c1ccc([C@@H]2N[C@@H](c3ccc(C(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 33729869 BVCSLKXDQKWPKT-NEWJYFPISA-N 439.556 5.636 5 40 IKBB O=[N+]([O-])c1cccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)c1 1426129 CFAHGVWBQZMYKS-UHFFFAOYSA-N 449.561 5.168 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3c4ccccc4nc(SCc4ccc(F)cc4)n3n2)cc1 2968947 UFSAPMJWFJFCAF-UHFFFAOYSA-N 431.452 5.284 5 40 IKBB Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4c(C)n(C)c5ccccc45)cc3oc12 8790046 ZNZWETASFQZZQU-UHFFFAOYSA-N 427.456 5.022 5 40 IKBB biogenic Cc1ccc(Sc2ccc(COC(=O)c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 12955165 UAHZXUNTQYHMKG-UHFFFAOYSA-N 447.434 6.430 5 40 IKBB CC(C)(C)c1ccc([C@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc([N+](=O)[O-])cc2)cc1 14944883 IPYMILWKSDRFAW-QFIPXVFZSA-N 446.503 6.047 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1cccc(C(F)(F)F)c1)CO2 61997650 UJXIOEBFFHLLKU-UHFFFAOYSA-N 425.406 5.626 5 40 IKBB biogenic Cc1cccc2c3nc4ccccc4nc3n(Cc3ccc(OCc4ccccc4)cc3)c12 2201555 PPCICPWDINDREU-UHFFFAOYSA-N 429.523 6.673 5 40 IKBB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2270009 SBMUKIMQSLXZLF-CYBMUJFWSA-N 428.941 6.704 5 40 IKBB Cc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(C)c(C)c3)c2C)cc1C 2733562 LLSQLEKDRYPSRM-UHFFFAOYSA-N 425.532 6.716 5 40 IKBB COc1cc(Cl)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)cc3)C[C@@H]21 36352210 JFIWYHTWCJLNHA-URXFXBBRSA-N 449.894 5.808 5 40 IKBB CC(C)(C)C1CCC(NC(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 36611233 FRYBNOVBXPIJMC-UHFFFAOYSA-N 444.959 6.162 5 40 IKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C(C)(C)C)cc1 224186967 MLXUAOMCGOVXIQ-UHFFFAOYSA-N 448.519 6.041 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408609144 OHMCQBVDXMYOFK-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409119659 TWYPDMRJNHVFNS-UHFFFAOYSA-N 426.900 6.146 5 40 IKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccccc2[N+](=O)[O-])N1 9086879 DUULOWRIEMQLDU-OAQYLSRUSA-N 428.473 5.127 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 20151016 FDODRJAZDCXAMF-UKTHLTGXSA-N 444.443 5.567 5 40 IKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205699054 MGCAWMWIDVHHNF-HYARGMPZSA-N 446.484 5.410 5 40 IKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)c(C)nc32)c1 2210444 OIFKAGXCKIUZBT-UHFFFAOYSA-N 445.526 5.506 5 40 IKBB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2cc1C 10120403 DCIJTTORINZHHL-DHZHZOJOSA-N 427.460 5.349 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 16401807 GYYSAOYVIHYMME-UHFFFAOYSA-N 429.879 5.168 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17098729 LCMFJBPYOGKKRD-UHFFFAOYSA-N 434.260 6.024 5 40 IKBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139636 FWBMHXXKDGAFNH-UHFFFAOYSA-N 428.853 5.468 5 40 IKBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccccc1OC 9529503 ZUJORJDWKKZAIK-JOCHJYFZSA-N 442.544 5.554 5 40 IKBB Cc1ccc(Sc2ccc(/C=C(/Cl)c3nc(O)c4ccccc4n3)cc2[N+](=O)[O-])cc1 96399896 RVXOIUJWWKAMCD-LDADJPATSA-N 449.919 6.440 5 40 IKBB O=C(O)/C(=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 408632320 DGOZGSKAIQQNST-DEDYPNTBSA-N 449.513 5.840 5 40 IKBB Cc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409110053 QJBURWVBYRGRRJ-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 2333493 ZNHFYRCUJJARTL-UHFFFAOYSA-N 445.526 5.203 5 40 IKBB CCCCCN(CCCCC)C[C@@H](O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 5973200 GWPMFHUNFJQZJC-SSEXGKCCSA-N 433.680 8.141 5 40 IKBB CCCCSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408750524 OJCCBZRCCXSSOU-UHFFFAOYSA-N 431.495 5.047 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408992680 AWJQBXWGKHPFBG-BTIIJPOSSA-N 442.518 7.372 5 40 IKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 408994127 GIXVXZGXFCIJQO-BOACMQGQSA-N 441.530 7.162 5 40 IKBB Cc1nn(C(=O)COc2cccc3ccccc23)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471320 JWASWPZWSZUMGH-UHFFFAOYSA-N 433.489 5.432 5 40 IKBB Cn1c(-c2ccccc2)c(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 2621889 FCQVOIJLECTEKU-DTQAZKPQSA-N 440.455 5.193 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4554587 DPEVXLPYRRHXBG-DSOXVULWSA-N 425.554 5.967 5 40 IKBB CCc1ccc(-c2cnc3c4ccc(OC)c(OC)c4c(=O)n4c5ccccc5c2c34)cc1 8792166 LYSHJHBOPRRSLX-UHFFFAOYSA-N 434.495 5.839 5 40 IKBB biogenic Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1[N+](=O)[O-] 9109546 PSWRTZUIWRRRIV-YVLHZVERSA-N 443.242 5.815 5 40 IKBB CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 9311211 PSSOWPGWVQVRQK-IBGZPJMESA-N 437.389 5.657 5 40 IKBB COCc1cc(C)nc2sc3c(c12)N=C(c1ccc([N+](=O)[O-])cc1)O[C@H]3c1ccccc1 15023501 PRZQQMPEWQODIO-NRFANRHFSA-N 445.500 5.857 5 40 IKBB CCOc1c(Br)cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1OC 16050359 XMLWVEODSBCWNS-BQYQJAHWSA-N 429.270 5.483 5 40 IKBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 21124374 YZOXJZOQYPRHHO-VQHVLOKHSA-N 443.799 5.077 5 40 IKBB Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 108970277 BYXCQCNZAYFEHT-UHFFFAOYSA-N 440.333 5.552 5 40 IKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8923107 NYXMGFHRMWMWJD-FQEVSTJZSA-N 438.509 5.112 5 40 IKBB COc1ccc(C(=O)N(c2ccc(C(C)=O)cc2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 9317118 GYVKEAQLWBXUNP-UHFFFAOYSA-N 447.472 5.394 5 40 IKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Sc1ccccn1 408991745 PEAUNFLLTCEZPQ-UHFFFAOYSA-N 436.518 5.397 5 40 IKBB COc1cc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)ccc1OCCC(C)C 2411621 WVFCJRSSGDUHNI-UHFFFAOYSA-N 439.559 6.528 5 40 IKBB CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 3383879 HQYACTUGJKHHFA-UHFFFAOYSA-N 440.521 5.876 5 40 IKBB Cc1ccc(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 9008899 CYJFDRFKHJTOKJ-UHFFFAOYSA-N 440.503 5.260 5 40 IKBB COc1ccc(N2C(=O)CC[C@H](Sc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 65090587 KUPPPQBRTMFCBP-LADGPHEKSA-N 434.517 5.632 5 40 IKBB C[C@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2326422 WBKYDCSHTXPMPZ-QGZVFWFLSA-N 449.489 5.091 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(OC)c1 224593216 YUGDRIAIZQGTLH-UHFFFAOYSA-N 436.464 5.142 5 40 IKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 409336593 QCROKZWXCMLMDH-HKYMTKPZSA-N 429.314 5.662 5 40 IKBB CCc1cc2c(=O)n(CC)c(SCc3cc(=O)oc4ccc5ccccc5c34)nc2s1 3435211 PMQZQJTYGSISIG-UHFFFAOYSA-N 448.569 5.592 5 40 IKBB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl 12601182 VUOBQORDBJISNI-GXDHUFHOSA-N 448.909 5.094 5 40 IKBB CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 8836064 QALHFSWLEKFNBE-OAHLLOKOSA-N 445.954 5.530 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)cc1Cl)O2 9460773 BCKDQWDTAKTTNC-IFMALSPDSA-N 440.286 6.144 5 40 IKBB Cc1c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cccc1-c1nc2ncccc2o1 10372882 MFRPROZPXWJPTB-UHFFFAOYSA-N 442.475 5.557 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)OCc1nnc(-c2ccccc2)o1 10888530 CDGDWISXOQDHGX-ACCUITESSA-N 433.445 5.130 5 40 IKBB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1 17250236 NRAQSUYQZHNWJL-UHFFFAOYSA-N 433.420 5.070 5 40 IKBB O=C(NCc1ccc(CN2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 44857215 RIHLCCJTQNUYIG-NLRVBDNBSA-N 441.531 5.048 5 40 IKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 225866162 XXVJZZXDLYYFBP-UHFFFAOYSA-N 433.508 5.772 5 40 IKBB COc1ccc(OC)c(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c1 79502068 ZQZHHZSZCGOPLB-UHFFFAOYSA-N 433.464 5.315 5 40 IKBB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 1417362 GUVHKBVSKDCQQO-MQMKENTISA-N 442.493 5.017 5 40 IKBB O[C@H](c1cc2cc(Br)ccc2c2cc(Br)ccc12)[C@@H]1CCCCN1 1568007 VIODRJXQBOYKMH-VQTJNVASSA-N 449.186 5.694 5 40 IKBB O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 3324836 HQLUWQFAGPJVBS-UHFFFAOYSA-N 444.274 5.084 5 40 IKBB O=C1S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769217 VDRXLUPUFVGVNN-HMAPJEAMSA-N 446.484 5.410 5 40 IKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 408772132 BJZQWGIXFIOHOY-QCHPHUCNSA-N 435.505 5.325 5 40 IKBB O=C(Nc1ccccc1Cl)c1sc(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1782905 KXTWRCOEQLGAHB-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 4289185 ZITDFSXXMSINCZ-QGZVFWFLSA-N 438.793 5.423 5 40 IKBB O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(Cc4ccccc4)cc3)=NN2c2ccccc2)cc1 8996000 TYSGAPHRWYZRTL-MUUNZHRXSA-N 433.511 6.541 5 40 IKBB Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 9129817 NNEDTSSRPKTHKE-UHFFFAOYSA-N 444.516 5.691 5 40 IKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccccc1 408568549 IAHCMZMRYCZWIF-QHCPKHFHSA-N 446.532 5.265 5 40 IKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 408604871 FPBPWFJRUIYUAN-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)NC1CCCCC1 408974630 FSRCLULZCVGKBL-UHFFFAOYSA-N 438.560 5.499 5 40 IKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2266497 CZYMTDJHMSCOKI-QSRNJPNHSA-N 426.516 6.130 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1 4554562 KOFZUUDHTKTICQ-DPFKQAOISA-N 425.554 5.967 5 40 IKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8832184 OJMKDVDZIJQDDP-UHFFFAOYSA-N 449.898 5.666 5 40 IKBB Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 9569665 PALHWAAONKQEIY-UHFFFAOYSA-N 430.848 5.324 5 40 IKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc2ccccc2c1 9233173 ULJQKRFMVRTMJG-WPWMEQJKSA-N 445.543 7.383 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 9292318 GJOPLQUEPPDORD-LADGPHEKSA-N 433.895 6.107 5 40 IKBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2C(F)(F)F)c(-c2cccs2)c1 15359177 ZFOBGKZNWYGILM-UHFFFAOYSA-N 429.397 5.110 5 40 IKBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 20797368 OCXXMMIYTJWCJZ-QHCPKHFHSA-N 439.475 5.181 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 408557835 QENOFUPLPMJRJF-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408561932 LTCIVXCEOIJQLB-QOCHGBHMSA-N 436.320 5.501 5 40 IKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2403268 RCUQPLBOWOIVMP-LBPRGKRZSA-N 438.318 5.561 5 40 IKBB Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3ccccc3c2)cc1 3012768 LSGRNOHLEVODMI-UHFFFAOYSA-N 427.416 5.943 5 40 IKBB CC(C)C(=O)Oc1cn(Cc2cccs2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243726 BHNWBBKIXAQWSE-UHFFFAOYSA-N 432.549 5.632 5 40 IKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc([N+](=O)[O-])cc2)N1 12574453 YMCBLWNUGNNCKB-NRFANRHFSA-N 428.473 5.127 5 40 IKBB Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17099785 GHNQGWKSPHYAKI-UHFFFAOYSA-N 435.915 5.715 5 40 IKBB S=C(NCc1ccccc1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 104372271 GSILTWUFGDKRNH-UHFFFAOYSA-N 446.539 5.366 5 40 IKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC(C)C 225677131 ZTRWHUFMXYEVDS-UHFFFAOYSA-N 440.496 5.009 5 40 IKBB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 409057014 OJOBLSAHPOJUNC-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2419241 NLAKOUHOQXEKPP-UHFFFAOYSA-N 439.563 5.987 5 40 IKBB O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 3068176 PHBLAHBWXHAQDN-UHFFFAOYSA-N 430.283 5.156 5 40 IKBB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 3769336 KBZYHRNDXZPAOH-FYJGNVAPSA-N 434.473 5.383 5 40 IKBB CC1=NN(c2ccccc2)[C@@H](N=P(OC(C)C)(OC(C)C)OC(C)C)[C@H]1[N+](=O)[O-] 4114610 MIQOLQAFTCXERC-RBUKOAKNSA-N 426.454 5.075 5 40 IKBB COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 9226445 NBZVORHVZUEDFA-UHFFFAOYSA-N 439.855 5.070 5 40 IKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(Nc2cccc(F)c2)sc1=S 12745032 WXCQIFVUEXMAJC-UHFFFAOYSA-N 439.925 5.208 5 40 IKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 14270701 JMTYYUIACOARPN-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB COc1ccc(CSCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 40156219 JJMRACGIHRNRMV-UHFFFAOYSA-N 449.960 5.119 5 40 IKBB CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCCCCC1 58406879 MBKJMMDBSULNQE-UHFFFAOYSA-N 427.467 5.011 5 40 IKBB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007922 BQYXSNUFJFEREW-UHFFFAOYSA-N 440.565 5.278 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 408836189 ZSDMPFQYQWOJKQ-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1[N+](=O)[O-] 9354860 CNJCZNYDQVKXNV-BOPFTXTBSA-N 442.349 5.527 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 9450950 BVSHICGAXDRQHQ-MRXNPFEDSA-N 445.475 5.934 5 40 IKBB CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409085568 DKTZOCMZUUFGBI-CXUHLZMHSA-N 438.383 5.462 5 40 IKBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1671472 NELPXZSFDMJQMS-UHFFFAOYSA-N 441.994 5.694 5 40 IKBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 106739394 ONTMPONYZOAQNH-GQFJFNLSSA-N 442.493 5.017 5 40 IKBB O=C(N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 2066238 WIUWTLFMFGWWAK-GOSISDBHSA-N 438.698 5.286 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2329173 KHZZUACMWHASIV-UHFFFAOYSA-N 445.954 5.576 5 40 IKBB O=C(NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 2721160 YPKUDVNQRPONGG-UHFFFAOYSA-N 435.480 5.404 5 40 IKBB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)CC1 11852519 GGWORYTWENHFCN-UHFFFAOYSA-N 428.558 5.462 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 16610853 SQQXSRGYNSEFFC-CQSZACIVSA-N 449.894 6.822 5 40 IKBB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C)C 101192683 QWMDIRFOBFIAQN-UHFFFAOYSA-N 441.396 5.190 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620378 MEOQOEPJNWWZFE-UHFFFAOYSA-N 433.851 5.298 5 40 IKBB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 408693793 DSFFXJOWHFRJRC-UHFFFAOYSA-N 433.855 5.057 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1Cl 408836373 QQHOGRLBKSRXDO-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 409197139 WVEZWLGFYSAPMJ-IZHYLOQSSA-N 445.500 5.079 5 40 IKBB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 1327839 FTRJTLAQDIUYKH-AWEZNQCLSA-N 442.569 5.463 5 40 IKBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 3295019 OBXJFDHAGIXNPD-UHFFFAOYSA-N 432.457 5.267 5 40 IKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc4c5ccccc5c(=O)[nH]c4c23)cc1 6157204 GPLKPZMFUJKRAC-UHFFFAOYSA-N 434.520 6.634 5 40 IKBB Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c1[N+](=O)[O-] 8722181 BEWJWBDOTFKFLS-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9186658 SWXIXXKIQFWSMI-UKILVPOCSA-N 429.476 5.624 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)nc12 10010635 NVTZXWRGXZOYGT-UHFFFAOYSA-N 443.868 5.687 5 40 IKBB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 21595265 CCXMRRLJRLIQMS-ACCUITESSA-N 431.492 5.743 5 40 IKBB c1ccc2c(Cn3cc[n+](Cc4c5ccccc5cc5ccccc45)c3)c3ccccc3cc2c1 169574315 KOMNMRNHVXBBJG-UHFFFAOYSA-N 449.577 7.485 5 40 IKBB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C 898873 KBYGDDIVKQDFGQ-BXKMTCNYSA-N 429.476 5.128 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 9295669 XBUAXIHQYWDULV-ODLFYWEKSA-N 440.864 5.745 5 40 IKBB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 16429458 KRWSRHPOGYWEEL-YVLHZVERSA-N 429.215 5.506 5 40 IKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17098626 UVHCLHUXLIGALY-UHFFFAOYSA-N 433.675 5.198 5 40 IKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1ccc(C)cc1 19792219 CXPBGSBFOOMRNP-UHFFFAOYSA-N 428.488 5.142 5 40 IKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 104360801 QNJKVMNGLKHGQP-UHFFFAOYSA-N 442.613 6.607 5 40 IKBB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 408814849 GOWWHKCLHBWEEE-NVNXTCNLSA-N 439.276 5.147 5 40 IKBB O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409098117 NJYQWFQQMWGIFA-QRVIBDJDSA-N 427.485 5.683 5 40 IKBB COc1ccc2c(c1)c(C(=O)COc1ccc3c(c1)oc(=O)c1ccccc13)c(C)n2C 2094667 GVZBVGOTMTYVLT-UHFFFAOYSA-N 427.456 5.017 5 40 IKBB biogenic Cc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3C)nc2c1 3030487 GUUYDMRKGIHYQO-UHFFFAOYSA-N 432.392 5.180 5 40 IKBB O=[N+]([O-])c1ccc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)c1 8846645 APCOSDXBBVMDMU-UHFFFAOYSA-N 438.284 5.065 5 40 IKBB CC(C)C(=O)Oc1cn(C2CCCCCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243336 ZJTQDUBYWXOLED-UHFFFAOYSA-N 432.568 6.417 5 40 IKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2c(Cl)c(Cl)ccc2s1 32126519 CGGQKWZWVQGMJB-QHHAFSJGSA-N 428.684 5.817 5 40 IKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 2708455 VITPSJBDATXINU-IBGZPJMESA-N 425.315 6.859 5 40 IKBB CC(C)(C)NCC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 8648975 XASHCFPVHUSBBJ-HXUWFJFHSA-N 444.324 7.130 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1 15946235 UYTHHWOOXFVHKO-BLVKFPJESA-N 445.541 5.341 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl 106700023 UWVGMCAXEIQMKU-UUASQNMZSA-N 443.695 5.792 5 40 IKBB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 409329575 GEIMGDUFXCIDMR-AREMUKBSSA-N 435.483 5.961 5 40 IKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)cnc32)c1 2212752 SPVYZOSIGVZBHG-UHFFFAOYSA-N 431.499 5.198 5 40 IKBB CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2CCC1=CCCCC1 5030673 DSRDVCSWAUOBKJ-QGZVFWFLSA-N 429.568 5.718 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 21595963 IKRSHTSWNAHREU-UHFFFAOYSA-N 427.682 5.115 5 40 IKBB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 851918 ZWGWFOSMFCGKIU-UHFFFAOYSA-N 441.399 5.621 5 40 IKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 8590659 IASKTQOLTQVQRJ-UHFFFAOYSA-N 431.448 5.787 5 40 IKBB CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 59489746 WXUZKOHJRFMJJH-UHFFFAOYSA-N 433.467 5.221 5 40 IKBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 409119782 SVTACPAXTOPEPY-MHWRWJLKSA-N 444.230 5.259 5 40 IKBB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 972640 FCBLKQBWFKYHRG-UHFFFAOYSA-N 444.443 5.278 5 40 IKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 106701362 GQUZCELGKKZEED-UUASQNMZSA-N 443.695 5.792 5 40 IKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1Cl 1838087 TYAHRUPIXFVEIB-UHFFFAOYSA-N 439.854 6.911 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C(F)(F)F)cc2)cc1 8743919 OCNHYARSQREDOS-UHFFFAOYSA-N 435.365 5.563 5 40 IKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1 8902958 YRODXFDWTIYFFO-UHFFFAOYSA-N 435.867 6.432 5 40 IKBB Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442070 LCMBKPQUMDQPMJ-NYYWCZLTSA-N 449.467 5.003 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3CCC[C@@H](C)O3)c21 90735021 SSGFYNWIMJIWJN-JLTOFOAXSA-N 446.499 6.095 5 40 IKBB CC(C)CNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409134674 STQWXBIBPVPQHR-XQNSMLJCSA-N 443.503 5.160 5 40 IKBB CCCCCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 2567023 RBZWHHRWKYUYQD-UHFFFAOYSA-N 444.944 5.741 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2[N+](=O)[O-])CC1 13129370 MPDMSLFCJOEMHF-UHFFFAOYSA-N 429.520 5.674 5 40 IKBB CCCCOc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409184269 WPKVZQDCZAROKZ-DEOSSOPVSA-N 433.460 5.555 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] 817526 BZUSXHIUUAJLFC-UHFFFAOYSA-N 439.855 5.152 5 40 IKBB O[C@H](c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1567999 GEHCOXATBTVZDU-VQTJNVASSA-N 428.281 6.494 5 40 IKBB COc1ccc(-c2nc3oc4ccc(Cl)cc4c(=O)c3c3nc4ccccc4n23)cc1 6143810 YXUWFONDWPGIDC-UHFFFAOYSA-N 427.847 5.471 5 40 IKBB Cc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)oc2c1ccc1ccccc12 9119975 IBDZKRXCRDAKNK-UHFFFAOYSA-N 429.388 5.210 5 40 IKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12273974 XZMHUZREPVCUJG-UHFFFAOYSA-N 436.207 5.631 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3CCC[C@H](C)O3)c21 90735022 SSGFYNWIMJIWJN-VBKZILBWSA-N 446.499 6.095 5 40 IKBB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094924 RBFQHRALHSUPIA-KKUFMJEISA-O 448.668 6.225 5 40 IKBB in-vitro O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223114676 XAQHRQLPNRXXLR-PKTZIBPZSA-N 448.548 5.555 5 40 IKBB Cc1ccc(-c2nnc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)s2)cc1 225678304 PIFDIUHRCSAZKI-RCCKNPSSSA-N 442.500 5.601 5 40 IKBB CCN1C(=O)c2cccc3c(-c4ccc(Br)cc4C)c([N+](=O)[O-])cc(c23)C1=O 408757941 SMZZGPOMJCAVDJ-UHFFFAOYSA-N 439.265 5.102 5 40 IKBB COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2110713 QLZLFNMSWGTQDU-UHFFFAOYSA-N 438.505 5.794 5 40 IKBB CCCC(=O)Oc1cn(CCc2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 9243301 XVDMUAPGIPTYGQ-UHFFFAOYSA-N 440.547 5.738 5 40 IKBB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c([N+](=O)[O-])c1 11690494 IXNOEHGXZTUTFR-OAQYLSRUSA-N 436.851 5.263 5 40 IKBB Cc1ccc([P@](=Nc2ccccc2[N+](=O)[O-])(Oc2cccc3cccnc23)C(C)(C)C)o1 12575434 PEGULCVXMZGPFK-YTTGMZPUSA-N 449.447 6.995 5 40 IKBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 35103903 AVHCRAIENBSQDK-UHFFFAOYSA-N 444.296 5.382 5 40 IKBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 57313509 VVYCTAUGHCTTQK-UHFFFAOYSA-N 438.292 5.717 5 40 IKBB c1ccc2c(c1)Cc1ccc3c4ccc5c6c(ccc(c7ccc-2c1c37)c64)Cc1ccccc1-5 98043875 HKSRHNHDUAHAAT-UHFFFAOYSA-N 428.534 8.880 5 40 IKBB COc1ccc([C@H]2C=C(Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1[N+](=O)[O-] 103768030 RVOIAXAXPQYGBU-JOCHJYFZSA-N 429.476 5.304 5 40 IKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)Cc2ccccc2)cc1 226069465 MLLFQLYVRAVSFR-RUZDIDTESA-N 442.664 5.433 5 40 IKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)cc1 13643763 LZZNNLGMFVSLSU-UHFFFAOYSA-N 441.516 5.651 5 40 IKBB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 13646772 HXOBHDIFDNVMLH-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)o1 861639 CLOLAKJZJDWFFW-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1C 9296284 VAVNCUYLHXLIKM-UHFFFAOYSA-N 430.533 5.675 5 40 IKBB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc([N+](=O)[O-])c2)nn1 9578085 VBAQZVOPIPHDDN-UHFFFAOYSA-N 426.548 5.838 5 40 IKBB O=C(OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 12960473 AOENCWQBDJPQJJ-UHFFFAOYSA-N 433.407 6.122 5 40 IKBB Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n1 13145605 DFWLCIAYVXJPBZ-UHFFFAOYSA-N 436.537 5.071 5 40 IKBB Cc1nn(Cc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)o2)c(C)c1[N+](=O)[O-] 2780419 GIEZCTFFODJHHC-UHFFFAOYSA-N 428.533 5.157 5 40 IKBB O=C(NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 9720929 SFPJMLCKUCUVJS-UHFFFAOYSA-N 436.217 5.152 5 40 IKBB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 12979996 IDMOHWFCVCADKB-AWEZNQCLSA-N 445.928 5.425 5 40 IKBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13668913 HQJWDEGOCBLWHO-UHFFFAOYSA-N 434.926 5.341 5 40 IKBB CCCn1c2ccc(Br)cc2c2nc3cc(OCC)c(OCC)cc3nc21 1448958 CQHWYGAINVVMDS-UHFFFAOYSA-N 428.330 5.708 5 40 IKBB O=C(O)c1ccccc1SC(Sc1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1599627 CNMFOMLHPXMJJU-UHFFFAOYSA-N 441.486 5.574 5 40 IKBB O=c1c2ccccc2c(-c2cccc3ccccc23)nn1-c1cc(Cl)ccc1[N+](=O)[O-] 3178101 IUNBHQPDFZCUDI-UHFFFAOYSA-N 427.847 5.768 5 40 IKBB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 1417364 GUVHKBVSKDCQQO-PVGUKEHMSA-N 442.493 5.017 5 40 IKBB COc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1Cl 2255922 BKNMYNXLGLUHFR-UHFFFAOYSA-N 431.839 5.206 5 40 IKBB CCCC(=O)Oc1cn(Cc2ccc(F)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9243757 DIDFCTCSEAZMGW-UHFFFAOYSA-N 444.510 5.683 5 40 IKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C 32116773 YEWDKWBNFXIADU-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 223368128 BXKHEYFHFMCZSL-FGZHOGPDSA-N 446.488 5.016 5 40 IKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(Cl)cc1 224391404 AXBUHRDDQLGMHF-UHFFFAOYSA-N 442.924 6.110 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4554588 DPEVXLPYRRHXBG-VNRHNKLVSA-N 425.554 5.967 5 40 IKBB CC(C)OC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@H](C)C2 8385020 DFERTMZINQFADT-NSHDSACASA-N 436.917 5.252 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n(OCc3ccc(Cl)cc3Cl)c2c1 8733646 RLWSKQMMYLSKSA-UHFFFAOYSA-N 448.693 6.201 5 40 IKBB C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9367215 BBSMFOPGPWQMCJ-AWEZNQCLSA-N 436.418 5.744 5 40 IKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 409053133 XRBURLBPJNOAJE-UHFFFAOYSA-N 437.427 5.916 5 40 IKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2424344 VNLDIBCNNDYXNV-UHFFFAOYSA-N 438.318 5.309 5 40 IKBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Br)c2ccccc12 16525400 AVCSYQYAAGJYHL-UHFFFAOYSA-N 447.244 5.464 5 40 IKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 30945797 AIHXHQGXMFMGIT-UHFFFAOYSA-N 442.730 5.406 5 40 IKBB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409181240 ABOVXNIASFAHOH-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB CC(C)(C)c1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc(C(C)(C)C)c1O 2124447 WKZZXGSPJLZUAF-UHFFFAOYSA-N 427.544 7.054 5 40 IKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2306990 BPLHESBMKHXLST-UHFFFAOYSA-N 431.927 5.436 5 40 IKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(C)c1 2308215 MPHBRMIFKJZGCC-UHFFFAOYSA-N 445.526 5.203 5 40 IKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1Cl 17101854 LBBDYGTZLXMYTD-UHFFFAOYSA-N 438.094 5.843 5 40 IKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 408612283 VDZJRVNLBBXDPR-UHFFFAOYSA-N 448.906 6.601 5 40 IKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 408721927 BKJUXTCGFCHHMF-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB O=[N+]([O-])c1cccc(-c2[nH]c(-c3cccc(Oc4ccccc4)c3)nc2-c2ccccc2)c1 9354956 NNQSIFWVFDSHHT-UHFFFAOYSA-N 433.467 7.111 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1 408824055 PEUQVHQVVKUWHP-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1Cl 409058846 LRLJQHUUHIBHJR-WQRHYEAKSA-N 426.837 5.749 5 40 IKBB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 409102460 ZYULPJLWUBZQDQ-UHFFFAOYSA-N 446.532 5.457 5 40 IKBB O=C(Nc1cccc2ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 1211224 NBJQRPMGUZYFRH-QNGOZBTKSA-N 443.484 5.219 5 40 IKBB aggregator CCCc1nc2sc3c(ncn4c(SCc5ccccc5)nnc34)c2c2c1CCCC2 9008560 KTBUFOSXVOELIC-UHFFFAOYSA-N 445.617 6.011 5 40 IKBB CC(C)N(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 9042646 CRZNTYPQEOAYQM-UHFFFAOYSA-N 435.267 5.002 5 40 IKBB COc1ccc(Oc2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3O)n[nH]c2C)cc1 9282401 DAURQQKWIUZXGI-UHFFFAOYSA-N 447.447 5.379 5 40 IKBB Cc1ccc(-n2c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc3ccccc32)cc1 12556857 FTVCOQYJFTUQKC-UHFFFAOYSA-N 443.488 5.584 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1c[nH]c2ccccc12 408571175 OAQHDBJCJFHFEH-NRFANRHFSA-N 441.314 6.462 5 40 IKBB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408674849 DHJPBLAWTBNSFA-UHFFFAOYSA-N 443.459 5.043 5 40 IKBB CC1(C)CC2=C([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C1)[C@]1(O)CC(C)(C)C[C@](C)(C2)C1 1024010 ICBQGNBHOXRZKL-LQGLAIQGSA-N 426.557 5.161 5 40 IKBB O=c1ccccc2c(/C=C/c3ccccc3Br)nn(-c3ccc([N+](=O)[O-])cc3)c12 8397828 ASFBVAUPSBCBFY-NTEUORMPSA-N 448.276 5.227 5 40 IKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 8836718 QOKYLOANPURJSF-UHFFFAOYSA-N 445.954 5.576 5 40 IKBB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183425 GDZVTGLMGNPFBY-UHFFFAOYSA-N 438.443 5.326 5 40 IKBB Cc1cc(C)cc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 24522851 YRBPVEYQURRKBA-UHFFFAOYSA-N 433.463 6.874 5 40 IKBB COc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)c1 408619576 JKRXNOPNJVNGJU-UHFFFAOYSA-N 449.846 6.540 5 40 IKBB Cc1cc(C)cc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2246247 BAAQPXIBDJGQQM-UHFFFAOYSA-N 440.419 5.069 5 40 IKBB COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)cc1 9239121 UODQIDUSFARIKM-UHFFFAOYSA-N 440.340 7.493 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc(C(F)(F)F)c1 13550616 QNYGUZXNTYIMHW-OUKQBFOZSA-N 437.377 5.483 5 40 IKBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 16637050 DMRCHHOGLKIBKV-UHFFFAOYSA-N 440.681 5.002 5 40 IKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 89787923 JSJRTEKFESDMQS-UHFFFAOYSA-N 444.852 5.665 5 40 IKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC 225757074 OEKXPJJJXVHSGI-UHFFFAOYSA-N 440.496 5.011 5 40 IKBB Cc1ccc(COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1 408553724 BOAROWKUNSXZDS-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409132864 KIMLQAKCRVIQLS-UDWIEESQSA-N 426.494 5.780 5 40 IKBB CC[C@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2436540 FMEODAKWBUZHNO-SFHVURJKSA-N 439.563 5.843 5 40 IKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1SCc1ccc([N+](=O)[O-])cc1 3050881 WQUWAXVCPLLGSC-UHFFFAOYSA-N 438.452 6.220 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1 13098787 MGDIYLQDPPSDJM-UHFFFAOYSA-N 436.468 5.186 5 40 IKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 19635882 MVAXFBYMDLNSNL-UHFFFAOYSA-N 442.475 5.564 5 40 IKBB Cn1c(-c2ccccc2)c([C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)c2ccccc21 3196130 COGOJXSLRROWMS-IBGZPJMESA-N 425.315 6.561 5 40 IKBB CC1(C)C(/C=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)=[N+](Cc2ccccc2)c2ccccc21 4280938 KOTWURAHAHPEPJ-UHFFFAOYSA-O 444.467 5.498 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)c([N+](=O)[O-])c1 8904117 JIVBOEBXJDJBIZ-UHFFFAOYSA-N 448.475 5.905 5 40 IKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 106707940 QFSQZIMQKIVCJT-NDENLUEZSA-N 447.472 5.327 5 40 IKBB C[N+](C)(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226071083 CVIDPDUNVJRDJU-WMMRIEFASA-N 438.607 5.310 5 40 IKBB Brc1ccc2c(ccc3[nH]c4ccc5cc(Br)ccc5c4c32)c1 1857794907 UDZSFBVXXLHMTQ-UHFFFAOYSA-N 425.123 7.153 5 40 IKBB CCc1ccccc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 1863046 XTGHYMDXJPAWMR-UHFFFAOYSA-N 433.463 6.820 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 17096461 SVDLEYSYEZFYDE-OAHLLOKOSA-N 429.476 6.477 5 40 IKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 19645811 HHPXCBSHHBFDAN-UHFFFAOYSA-N 447.447 5.046 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Cl 214122916 GMBJADGLTFIZNA-YBFXNURJSA-N 440.864 5.745 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1[N+](=O)[O-] 409137639 XMHXVAKDQMWMCY-UDWIEESQSA-N 426.494 5.780 5 40 IKBB O[C@@H](c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1567996 GEHCOXATBTVZDU-UXHICEINSA-N 428.281 6.494 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 6150763 OKDTWONSELAXIS-UHFFFAOYSA-N 429.499 5.175 5 40 IKBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 9016102 WPCGDJQGUGJHBL-UHFFFAOYSA-N 433.851 5.019 5 40 IKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 30945794 FRJYJHSUCODRQV-UHFFFAOYSA-N 442.730 5.406 5 40 IKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 59294294 SCAWIUXXCAOXQW-UHFFFAOYSA-N 442.947 5.337 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214901641 FAMSDCNOLJOKCZ-YBFXNURJSA-N 440.864 5.745 5 40 IKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1F 408566191 FAQPQGNBSGCMOD-NRFANRHFSA-N 434.467 5.693 5 40 IKBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 14356525 IJBLMBIZUAUOSB-UHFFFAOYSA-N 443.459 5.036 5 40 IKBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 32118783 UCMUXGRNOVEBFZ-UHFFFAOYSA-N 448.957 5.327 5 40 IKBB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] 108062970 CLWRLNBZSRXNFJ-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1-c1ccc(Cl)cc1 1791137 BMOSDCMOKBLGIZ-UHFFFAOYSA-N 444.896 5.714 5 40 IKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](C(C)(C)C)C2 1946341 YDHJATVUOSTCEI-HNNXBMFYSA-N 444.553 5.545 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 14271070 DXLLUWOKLOYDJG-HWKANZROSA-N 444.727 5.390 5 40 IKBB CCCCSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1 15024594 AGGQGKVHIMXSBJ-UHFFFAOYSA-N 443.403 5.666 5 40 IKBB O=[N+]([O-])c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)cc1 104149721 YIRURTNFOHNTSK-LJQANCHMSA-N 436.427 5.035 5 40 IKBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c1C 408694664 LNLOBGOWQYDJNS-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CCn1nc(C)c(-c2ccccc2OC(=O)c2ccccc2)c1-c1cccc([N+](=O)[O-])c1 2066801 PXKYPBWOLNZAHU-UHFFFAOYSA-N 427.460 5.673 5 40 IKBB O=[N+]([O-])c1cccc2nc(/C=C/c3nn(Cc4ccccc4)cc3-c3cccnc3)ccc12 9491237 OQJHMWXPQUOHMR-WYMLVPIESA-N 433.471 5.620 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 34703405 UHSXELKVKIAXDT-UHFFFAOYSA-N 446.426 5.040 5 40 IKBB COc1cc(Cl)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 36352209 XANUQRHTTVEBSP-REWPJTCUSA-N 435.867 5.499 5 40 IKBB O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 214163478 NLQUEJSBUOWQPU-XDHOZWIPSA-N 439.880 5.275 5 40 IKBB CCCSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 225829151 RAXOCVDFOPUQFS-GHRIWEEISA-N 426.523 5.128 5 40 IKBB CN(C)c1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408976982 UDYIQPYSTNQSQC-UHFFFAOYSA-N 444.498 5.198 5 40 IKBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 823887 PHRZQACCNTUJBW-GZTJUZNOSA-N 428.322 5.218 5 40 IKBB Cc1ccc2c(c1)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C[C@@H]2C 1815936 MDSVHNHNDYIFQV-ZDUSSCGKSA-N 428.941 6.704 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 1838339 YFWWUQIOBGPFCB-CQSZACIVSA-N 449.894 6.822 5 40 IKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2399933 XQSWYOOYQBYHLH-ZDUSSCGKSA-N 437.425 5.273 5 40 IKBB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 8837186 YWKNKDYTINZIOA-ISKFKSNPSA-N 449.894 5.889 5 40 IKBB Cc1c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 9470679 GCDXHTCYIQNJIL-UHFFFAOYSA-N 439.508 5.245 5 40 IKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1ccc(Cl)cc1Cl 12658045 HBFREOYAWLFBTM-VIFPVBQESA-N 437.201 5.464 5 40 IKBB CCCCn1c(=O)nc2n(-c3ccc(Cl)c(Cl)c3)c3cc(Cl)ccc3cc-2c1=O 2222402 RBTRDCACPKMPAN-UHFFFAOYSA-N 448.737 5.413 5 40 IKBB O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 2749190 RTAIQRWVORALRO-HSZRJFAPSA-N 431.879 5.517 5 40 IKBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 4106924 VFXFKZYGPLHOBS-XDHOZWIPSA-N 449.444 5.032 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1 15946240 UYTHHWOOXFVHKO-HXPMCKFVSA-N 445.541 5.341 5 40 IKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)c2c1 46085635 SEYAZDXBHRKHOB-UHFFFAOYSA-N 447.285 5.843 5 40 IKBB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463624 XBWSWYITQFFPKB-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB O=[N+]([O-])c1cccc(NCc2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 408557674 OCJBKFRLYUVOCM-UHFFFAOYSA-N 434.495 7.092 5 40 IKBB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 12911892 UGLJVFNCUYOJCU-UHFFFAOYSA-N 430.233 5.119 5 40 IKBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 30862728 XLSMZXBZQBPRPH-UHFFFAOYSA-N 426.538 5.005 5 40 IKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33720419 SABMWWUKUVEIFJ-UHFFFAOYSA-N 434.835 6.553 5 40 IKBB COc1cccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c1OC 79483587 VTSHQZLLPIVNBI-UHFFFAOYSA-N 433.464 5.315 5 40 IKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677879 NLQBFVMGRWYROQ-SFHVURJKSA-N 432.520 6.376 5 40 IKBB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409120766 TUTANZXEUKRGLC-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1 9529496 HJSURBSRMNBNAF-NRFANRHFSA-N 446.963 6.199 5 40 IKBB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13809883 IHFAHVTUUXGJSG-UHFFFAOYSA-N 426.388 5.310 5 40 IKBB COc1ccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 48354432 YERHZRYZPVXDTB-AWEZNQCLSA-N 425.872 5.682 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2cccc(F)c2)no1 9487829 ZOBOOUPNAZUCJF-OAQYLSRUSA-N 426.403 5.132 5 40 IKBB Cc1[nH]c2ccccc2c1[C@@H]1c2cc([N+](=O)[O-])ccc2O[C@]2(N3CCOCC3)CCCC[C@@H]12 15188604 XTTZLFDVYNCVHM-RMUDUWAUSA-N 447.535 5.128 5 40 IKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccccc1[N+](=O)[O-] 17095679 NRNLIHVBJDAYET-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 409051787 CQWPFSOJQLEBQB-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB Cc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)n[nH]1 409191968 RITNNGWDLKXTPM-CXUHLZMHSA-N 448.913 5.044 5 40 IKBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 1064169 KZYLIFUHWPPPSL-QHCPKHFHSA-N 431.879 5.517 5 40 IKBB biogenic O=c1c2c(-c3cccs3)csc2nc2c3ccccc3c(-c3ccc(F)cc3)nn12 3244103 OGEBKEMIKGCJKP-UHFFFAOYSA-N 429.501 5.992 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1Cl 8836754 GBYXKRVECRQSHB-UHFFFAOYSA-N 443.938 5.669 5 40 IKBB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17103274 ZMYNBQDXXMFLAP-UHFFFAOYSA-N 439.427 5.593 5 40 IKBB Cc1noc(/C=C\c2cc(Br)ccc2OCc2ccccc2Cl)c1[N+](=O)[O-] 408544988 WQJDHQDZIWVSOJ-VURMDHGXSA-N 449.688 6.057 5 40 IKBB CCCCN(CCCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1 1592056 HQJKUDXNHXSWOU-UHFFFAOYSA-N 426.398 6.840 5 40 IKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2CCC1=CCCCC1 5064194 LPPVKYWCIWONML-UHFFFAOYSA-N 427.552 5.608 5 40 IKBB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1O 9282295 GWNAVMDWRQPCIC-UHFFFAOYSA-N 447.447 5.461 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 19643266 IQALVAAMIGSTBD-INIZCTEOSA-N 445.475 5.934 5 40 IKBB Cc1cccc(N2CCN(C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)c1C 408564271 URDPPTOJEWGFNX-NCELDCMTSA-N 441.531 5.101 5 40 IKBB CCCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)n[nH]1 408632596 RQCDBEKWQDATNJ-SFQUDFHCSA-N 442.522 5.034 5 40 IKBB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 9518337 MSSKRERIUWJGKT-UHFFFAOYSA-N 445.431 5.244 5 40 IKBB CCCOc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 3635832 RLCRNUQHQNWOFJ-UHFFFAOYSA-N 446.348 6.337 5 40 IKBB CC(=O)Nc1cccc(Oc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 15166395 YXKYSXKVFFJFSU-UHFFFAOYSA-N 441.443 5.751 5 40 IKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 408565256 BLQBLNJFVPPDPE-NRFANRHFSA-N 436.895 5.818 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)c1 2308698 OEWSJCGBJIWZRX-UHFFFAOYSA-N 445.526 5.257 5 40 IKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20142848 DQKKNYLOOFHSHN-UHFFFAOYSA-N 449.507 5.144 5 40 IKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1Sc1ccccc1[N+](=O)[O-] 3198341 CZTWBMINBVAFKL-UHFFFAOYSA-N 437.502 6.367 5 40 IKBB Cc1ccc(-c2sc(-c3ccccc3)nc2-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 3351955 XCMHBXKCOCHDMW-UHFFFAOYSA-N 440.480 6.467 5 40 IKBB CC(=O)Nc1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 3845326 VEASCSFIHXRAFA-QUMQEAAQSA-N 429.432 5.802 5 40 IKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12 19637311 SEVURUYYWDBKRJ-UHFFFAOYSA-N 442.909 5.138 5 40 IKBB CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229384 IVSIFKSFELZXFO-UHFFFAOYSA-N 442.730 6.044 5 40 IKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 408570372 LELZVDUDEJJRAJ-QFIPXVFZSA-N 434.467 5.693 5 40 IKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408613076 XGRXNTZXSGPUAX-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB Cc1c(C(=O)NC(=S)N(c2ccccc2)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 16250123 LQNOYZHDWAIECY-UHFFFAOYSA-N 441.512 5.909 5 40 IKBB O=C(COC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 409181665 FUWINFAZWOGXMA-UHFFFAOYSA-N 445.855 5.578 5 40 IKBB O[C@H](c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1568003 BDTADOOVIUVADX-VQTJNVASSA-N 428.281 6.494 5 40 IKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2149742 DQEQPIKOUNUANP-UHFFFAOYSA-N 432.475 7.343 5 40 IKBB biogenic Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccc(Cl)cc3)nc21 2441721 YKPIZQBEXOYOTF-UHFFFAOYSA-N 433.939 5.464 5 40 IKBB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc12 3294615 BKJMEIMRRGKBTR-UHFFFAOYSA-N 427.869 5.314 5 40 IKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226070047 CGALDLGEGBNSST-XMMPIXPASA-N 442.664 5.315 5 40 IKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408633247 JJJLOSLNACHPNT-ODLFYWEKSA-N 438.417 5.222 5 40 IKBB CC1=C(c2ccccc2)[C@]2(c3ccccc3)OC(c3ccc([N+](=O)[O-])cc3)=NO[C@]2(C)C1 1567833 QYIZWGPNEMYKDX-FTJBHMTQSA-N 426.472 5.835 5 40 IKBB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc2oc3ccccc3c(=O)c2c1 95457281 HWEXYEOGCOREHX-UHFFFAOYSA-N 443.890 5.405 5 40 IKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 408565259 BLQBLNJFVPPDPE-OAQYLSRUSA-N 436.895 5.818 5 40 IKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1)c1ccccc1 408991708 OXNRGJGZXRRDMF-STBKQIAZSA-N 440.499 6.111 5 40 IKBB O=C(Nc1ccc(Br)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl 2752953 VNIPSFQGULGQQK-UHFFFAOYSA-N 434.471 5.026 5 40 IKBB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 32118601 OSYWRLCXBLCLAL-UHFFFAOYSA-N 448.957 5.327 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408561387 IQSXBKKZERLWCU-GYHWCHFESA-N 443.956 5.718 5 40 IKBB Cc1ccc(-n2c(Sc3ccc(C=O)cc3[N+](=O)[O-])nnc2-c2ccccc2O)c(C)c1 408606838 RDTXMZPOBZWEFF-UHFFFAOYSA-N 446.488 5.129 5 40 IKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1C 409102213 VHQRSUXGYPMTBB-UHFFFAOYSA-N 430.533 5.675 5 40 IKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 6143803 MBYCRHGBVFPBTD-UHFFFAOYSA-N 446.810 5.106 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)o2)c([N+](=O)[O-])c1 19894079 VESOVPGBKBCRTD-UKTHLTGXSA-N 436.467 6.386 5 40 IKBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl 408566774 GCRJSYKUDCKPJH-KRWDZBQOSA-N 439.324 5.001 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 408734751 DANGLXPDMQNJBI-WOJGMQOQSA-N 426.837 5.749 5 40 IKBB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2[N+](=O)[O-])cc1 9414070 JQMXTQAWFGJQMN-UHFFFAOYSA-N 445.431 5.244 5 40 IKBB COc1cc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1OCc1ccccc1 9805810 AITQOZRSBIBEQM-UHFFFAOYSA-N 444.491 5.195 5 40 IKBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229529 TZUIGOYDLYUJBZ-UHFFFAOYSA-N 448.100 5.460 5 40 IKBB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106728968 GFFLYGYWUKVXQP-MOSHPQCFSA-N 442.493 5.019 5 40 IKBB O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 409104218 BVRGXWWPJPENSQ-UDWIEESQSA-N 440.933 6.485 5 40 IKBB COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCC2 408575618 ODPNSCJTZFEHJT-XMHGGMMESA-N 448.500 5.111 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 409179331 RGHSIHFVHOMJPK-UHFFFAOYSA-N 432.476 5.502 5 40 IKBB Cc1ccc(Cn2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 2203671 QLEMBXQWACZZCQ-UHFFFAOYSA-N 440.547 5.879 5 40 IKBB CC[N+](C)(CCCCCCCCCC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 4834790 CBJSOGNFNBQCFC-UHFFFAOYSA-N 430.721 7.397 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(NCCC1=CCCCC1)cc1oc3ccccc3[nH]c12 9311239 BFMGYQLEHRUPQJ-UHFFFAOYSA-N 436.511 6.243 5 40 IKBB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c([N+](=O)[O-])c1 11690495 IXNOEHGXZTUTFR-NRFANRHFSA-N 436.851 5.263 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOCc3ccccc3OC(C)C)c12 13591430 IUTBDJXZRFJWMK-UHFFFAOYSA-N 439.559 6.440 5 40 IKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 8875227 GSORHAWCKGXHIC-VRCTWVPOSA-N 435.505 5.433 5 40 IKBB Cc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C/c3ccc([N+](=O)[O-])s3)sc2c1 9829671 SCWRWWPNMXFYAZ-VMPITWQZSA-N 436.518 5.216 5 40 IKBB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)ccc1[N+](=O)[O-] 12528727 SWBXAXSYVGYNJO-UHFFFAOYSA-N 432.505 5.639 5 40 IKBB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 17100874 IZXYDPCTEMYQTC-NSHDSACASA-N 436.917 5.252 5 40 IKBB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 101361174 UXSXSIPRMCAWKY-UHFFFAOYSA-N 436.423 5.774 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 104105362 JYEXLSPHXJKNIE-SVSGTKJJSA-N 427.503 6.709 5 40 IKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc(F)c1 408570573 LKWPUGFFDYKCPH-QFIPXVFZSA-N 434.467 5.693 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(Cl)c1N1CCCC1 9972145 RESXWJSYGLOSKX-ACCUITESSA-N 437.883 5.760 5 40 IKBB COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 13546503 YSTINWHUFJVUHD-NVNXTCNLSA-N 439.276 5.147 5 40 IKBB CC(C)(C)c1ccc(-c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)o2)cc1 32935090 APFJTYNIIMPONZ-UHFFFAOYSA-N 437.481 5.285 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccc(Cl)cc2)c(Cl)c1 16449669 YTFHGSRWQPIHJU-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB COc1cc(OC)c(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc1OC 96113746 UAUSDCGFHLXLQH-UHFFFAOYSA-N 433.464 5.310 5 40 IKBB biogenic Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409119076 VRKYHRKWRNYLBA-UHFFFAOYSA-N 436.817 6.980 5 40 IKBB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 409173168 LNGNEWGOJBOYJL-YBEGLDIGSA-N 444.230 5.259 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6474891 SGXNMDMKBNQELP-UHFFFAOYSA-N 433.449 5.043 5 40 IKBB COc1ccc(-c2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3O)n[nH]c2C)cc1 9282194 KKJBJQYHOWXIAJ-UHFFFAOYSA-N 431.448 5.254 5 40 IKBB CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] 13537255 GPJDIHDLTQEECK-GMBFBNGRSA-N 429.733 9.213 5 40 IKBB C(=C\c1ccc2ccc3ccc4ccccc4c3c2c1)\c1ccc2ccc3ccccc3c2c1 68569433 JACJQFMSFDADPR-KTKRTIGZSA-N 430.550 9.623 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1csc(-c2ccc(F)cc2)n1 12527214 TWIJIAMPVVAOAT-UHFFFAOYSA-N 444.487 5.161 5 40 IKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 12577416 BPXCQIDNWKVLBT-SFHVURJKSA-N 437.490 5.341 5 40 IKBB Cc1cc2nc(-c3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc(C)c3O)oc2cc1C 12651604 RTFUVKCICKECKI-UHFFFAOYSA-N 447.447 5.051 5 40 IKBB O=C(/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1 16451251 RSZQILIHGCLDKL-WCTVFOPTSA-N 432.504 6.604 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 16610770 JRBBHUFULIHRTR-CQSZACIVSA-N 449.894 6.822 5 40 IKBB O=C(NCCC1=CCCCC1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 33530615 QVNGPXNQHNGYGA-UHFFFAOYSA-N 448.530 5.891 5 40 IKBB Cc1[nH]c2ccccc2c1[C@H]1c2cc([N+](=O)[O-])ccc2O[C@@]2(N3CCOCC3)CCCC[C@H]12 33683866 XTTZLFDVYNCVHM-NYMACZPPSA-N 447.535 5.128 5 40 IKBB COc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408836641 TXLLLWRNDNJOLF-UHFFFAOYSA-N 432.461 5.041 5 40 IKBB Cc1c(Cl)cccc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409113277 FFEVIVHUHYNFGJ-UHFFFAOYSA-N 436.817 6.980 5 40 IKBB Cc1nc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 409188327 GPUHKVPWBLVTMB-CXUHLZMHSA-N 448.913 5.044 5 40 IKBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)c1C 3275717 AEXZSYCDBXIEFD-UHFFFAOYSA-N 429.472 5.154 5 40 IKBB CCOc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 12651590 RKFRAXSLALHKSP-UHFFFAOYSA-N 433.420 5.068 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccccc3Cl)c2)c(Cl)c1 16450058 VCVAQOANAMLQHX-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463599 BXYIWTARMXUXKX-UHFFFAOYSA-N 433.464 6.085 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 408576405 XWPHKPNQTVPLAC-DHZHZOJOSA-N 427.869 5.035 5 40 IKBB O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624322 VNSHLMKGLDWGAQ-UHFFFAOYSA-N 439.624 5.662 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 409180478 UDFXLVOSJZOROB-FQEVSTJZSA-N 430.243 5.683 5 40 IKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 409180479 UDFXLVOSJZOROB-HXUWFJFHSA-N 430.243 5.683 5 40 IKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 849439 QCZQBXLZWLPWQH-UHFFFAOYSA-N 428.231 5.962 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1 13628630 HHDRMHKUZHRCQQ-CXUHLZMHSA-N 443.503 5.797 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 15946231 QPDCYMUZKGBNFN-KZULUSFZSA-N 433.961 6.280 5 40 IKBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139622 OBOSBXLMZTWZNT-UHFFFAOYSA-N 428.853 5.468 5 40 IKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 89534485 RGQGJLOLBJJZKR-UHFFFAOYSA-N 433.445 5.446 5 40 IKBB COc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 9187058 VZBZVJMCUKHRCZ-JOCHJYFZSA-N 438.439 5.001 5 40 IKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 14270699 RDDDFBNETGXTAN-UHFFFAOYSA-N 446.488 5.147 5 40 IKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 17094619 NIEDRTXUAMETKK-JXMROGBWSA-N 425.853 5.770 5 40 IKBB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])cc1Cl 17095100 WIKKSASFYNMDCR-UHFFFAOYSA-N 426.639 6.172 5 40 IKBB C[C@@H](Sc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)c1cccc([N+](=O)[O-])c1 24271801 WLGFVAMABIFERY-LLVKDONJSA-N 427.482 5.552 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409177733 GRUYDDIGNLSAMH-UHFFFAOYSA-N 432.476 5.502 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 409337393 UJRLGRNFSALBKI-NMCONKOPSA-N 443.297 5.383 5 40 IKBB O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 2638237 PXTCCMQSFAHNSS-UHFFFAOYSA-N 437.340 5.722 5 40 IKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)/C=C/c1cccs1 12600000 RKZPKCPCCRUMRL-CMDGGOBGSA-N 428.491 5.213 5 40 IKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 13634948 JFHMKNQSBJYEPZ-HXUWFJFHSA-N 440.887 5.230 5 40 IKBB CCCCCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 1824582 JKCVNTJDHIVPRH-UHFFFAOYSA-N 425.627 6.172 5 40 IKBB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2073866 PBMJITBUBSCIPZ-FQEVSTJZSA-N 437.525 5.622 5 40 IKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ncc(Cl)cc1Cl 3264135 NYMSGVDUTAYAAR-UHFFFAOYSA-N 425.271 5.490 5 40 IKBB CCCCCOc1ccc(-c2nc3cc4c(cc3[nH]2)[n+](=O)c2ccccc2n4O)cc1OC 20470145 PLCYWTKGTVXFSZ-UHFFFAOYSA-N 445.499 5.067 5 40 IKBB O=c1nc2scc(CSc3ccc([N+](=O)[O-])cc3)n2c2sc3c(c12)CCCC3 27750550 KWLCHWOURVNACV-UHFFFAOYSA-N 429.548 5.050 5 40 IKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408540965 ACLIEJWXVGDLPF-TWGQIWQCSA-N 449.290 6.346 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1c[nH]c2ccccc12 408566688 FZCNYPYVXJBYFH-LJQANCHMSA-N 441.314 6.462 5 40 IKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 408572055 QNDADSROBHFNKW-HSZRJFAPSA-N 430.504 5.863 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C(C)(C)C)CC3 6142749 JSXKZLYIXHTOCR-OAHLLOKOSA-N 442.537 5.601 5 40 IKBB COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1Cl 6148340 HLOVIKUIDAHAGW-UHFFFAOYSA-N 431.839 5.206 5 40 IKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 9095325 KCOWUCGUNOUWLT-UHFFFAOYSA-N 440.887 5.273 5 40 IKBB Cc1noc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccc(Cl)cc1 9128745 CVNUBXQHLIFTIC-UHFFFAOYSA-N 436.851 6.163 5 40 IKBB biogenic CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20969982 YVGKLCRKQPKXKL-JOCHJYFZSA-N 443.438 5.011 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 59463582 GIZNXVYBRXPZMJ-UHFFFAOYSA-N 446.444 5.546 5 40 IKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1c[nH]c2ccccc12 408569982 KLYHBTMISSRRQQ-HXUWFJFHSA-N 441.314 6.462 5 40 IKBB COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924903 HBFBKNZFTYOENN-QFIPXVFZSA-N 435.867 5.248 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccc(C(F)(F)F)cc3)c2c1 8733620 WBYQNJOJSVJFPA-UHFFFAOYSA-N 447.800 5.913 5 40 IKBB COc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)s2)c1 13117461 XDKPAASWFPNCCA-UHFFFAOYSA-N 431.473 5.646 5 40 IKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 17094597 IWOLUMABUUKBLW-UHFFFAOYSA-N 425.655 6.376 5 40 IKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924492 ZXXFCWKZWDSLFU-MXADNQSASA-N 431.661 6.644 5 40 IKBB Cc1ccc(N2C(=O)c3cccc4c(Oc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)cc1C 819763 IPLFLAWWGNLUHN-UHFFFAOYSA-N 438.439 5.958 5 40 IKBB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(F)cc2)C3=O)cc1 9452774 GFOYOMVFFIKFGV-QHCPKHFHSA-N 428.423 5.182 5 40 IKBB CC(C)(C)C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 13778225 OYXLPOGYUXASQH-UHFFFAOYSA-N 428.923 6.341 5 40 IKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 19638299 AHEIRJDLAJSATO-UHFFFAOYSA-N 443.507 5.540 5 40 IKBB O=[N+]([O-])c1cc(/C=C\c2nc(-c3ccc(F)cc3)cs2)ccc1Sc1ncccn1 33507913 TUIRPUQNHSLUNB-OQFOIZHKSA-N 436.493 5.969 5 40 IKBB Cc1ccc(COc2c(Br)cc(/C=C/[N+](=O)[O-])cc2Br)cc1 35333732 RQBNPAUYWXSNQV-VOTSOKGWSA-N 427.092 5.346 5 40 IKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 113928809 JYBKXSXXVXUSNK-HHHXNRCGSA-N 449.510 6.269 5 40 IKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 408581017 GBWFKHVYMDRDRF-UHFFFAOYSA-N 433.411 5.733 5 40 IKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1Cl 2428593 RFPASGYRDNWDFD-UHFFFAOYSA-N 431.927 5.292 5 40 IKBB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 8885078 MJTYZLIWKRJKBN-XMMPIXPASA-N 431.492 5.935 5 40 IKBB CC(C)C(=O)Oc1cn(CCC2=CCCCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 9540796 AJNBJYIBCVQMDL-UHFFFAOYSA-N 444.579 6.413 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccc(Cl)cc3)c2)c(Cl)c1 16399549 DLXGSAPNTOHXRB-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB O=C1N[C@H](c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)Nc2ccccc21 59488534 ZKKWCFGZYFXVHB-JOCHJYFZSA-N 428.473 5.148 5 40 IKBB COc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCC(C)CC2)c(C(C)(C)C)c1 226071220 YGNMZTREOZBLFC-YMVPHMABSA-N 426.621 5.179 5 40 IKBB Cc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccc([N+](=O)[O-])cc3)CC2(C)C)cc1 2270304 GIMQMMHLDXKYDW-CHLAXGMRSA-N 440.543 6.438 5 40 IKBB Cc1ccc(C)c(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3n2)c1 2766411 SOVBPRVKQOAMDK-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB Clc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 16526075 WJCIJDAZCMNWPR-FVDSYPCUSA-N 438.939 7.749 5 40 IKBB CC1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C(C)C)CC1 65322313 FVQNBISFHQOIPR-UHFFFAOYSA-N 435.528 5.010 5 40 IKBB O=C1[C@H]2[C@@H](c3ccccc3)CC[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 169683770 PZRRIJLHRFAQDB-LWSSLDFYSA-N 426.472 5.062 5 40 IKBB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205659668 PUCWLZSYXNEIFB-KGENOOAVSA-N 432.457 5.624 5 40 IKBB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccc(Cl)cc1 253576036 VIDVLQXJVHJTQA-YKSBVNFPSA-N 443.975 5.938 5 40 IKBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1-c1ccccc1 861823 GPGMDVDNYMPSJP-UHFFFAOYSA-N 436.423 5.855 5 40 IKBB CCCOc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 2668012 IDDOSUHTGNGVSJ-UHFFFAOYSA-N 446.348 6.337 5 40 IKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)sc(C)c1C 6089496 XGPZZOMTNWMZPP-UHFFFAOYSA-N 445.541 5.083 5 40 IKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(/c3ccccc3)[S@@](=O)Cc3ccccc3)c2c1 8651936 FKEOUYLTWWQQQK-GIHGUXAMSA-N 435.530 5.512 5 40 IKBB O=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccccc1[N+](=O)[O-] 2550183 MJZXNAQFBMBEHG-UHFFFAOYSA-N 437.761 5.707 5 40 IKBB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c([N+](=O)[O-])c1 8443705 BINJDSJLDCXALM-UHFFFAOYSA-N 427.460 5.688 5 40 IKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1Cl 8834534 FMBLLHPLUXKSEI-UHFFFAOYSA-N 445.910 5.061 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 9414222 SJRVRWSCHKOJBN-UHFFFAOYSA-N 437.358 5.124 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(c2ccc(Cl)cc2)CCCC1 58186358 QZHPTYSJUMBMRU-UHFFFAOYSA-N 430.935 5.394 5 40 IKBB O=C1S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 409349582 QWOXYNWKPSONBI-UNOMPAQXSA-N 439.880 5.339 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2739081 BKLYCDHGXXDPPX-UHFFFAOYSA-N 438.270 6.369 5 40 IKBB O=C(Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21)c1ccccc1 9113071 CPFIGURNBGKUBX-UHFFFAOYSA-N 448.913 6.608 5 40 IKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccc(F)c2)no1 9487830 ZOBOOUPNAZUCJF-NRFANRHFSA-N 426.403 5.132 5 40 IKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCc1ccc(OC)c(OC)c1 19792098 JAESXYCGWWKYKY-UHFFFAOYSA-N 430.504 5.237 5 40 IKBB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1 57313621 RIZOFBKLIIUZRH-UHFFFAOYSA-N 436.449 5.065 5 40 IKBB Cc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl 224120380 YJPXHXXPYIUVNP-PXLXIMEGSA-N 436.895 5.292 5 40 IKBB COc1cc(NC(=O)c2sccc2Oc2ccccc2[N+](=O)[O-])c(Cl)cc1Cl 1397946 ACCGEWDVLGKNML-UHFFFAOYSA-N 439.276 6.016 5 40 IKBB CCCCNCC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 1568027 QCUSFDIBXKYUIB-NRFANRHFSA-N 443.431 6.844 5 40 IKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1Sc1ccccc1 2718496 UVOYGINOUCBPAD-UHFFFAOYSA-N 431.473 5.459 5 40 IKBB CCOC(=O)c1c(C)cc(Nc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1-c1ccccc1 9313357 MMLLRCWOYJLYTH-UHFFFAOYSA-N 448.475 5.667 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 409178534 KUOVJPWKXFLUGD-FQEVSTJZSA-N 440.249 5.138 5 40 IKBB CCOc1ccc2cc(-c3cc4c(c(C)n3)c(=O)oc3cc(OCC)ccc34)c(=O)oc2c1 856326 GSBIFGYJWNSMPX-UHFFFAOYSA-N 443.455 5.220 5 40 IKBB O=[N+]([O-])c1cccc(-c2nnc(CSc3nc(-c4cccs4)nc4ccccc34)o2)c1 8825823 MYUGULGWZBWUJO-UHFFFAOYSA-N 447.501 5.609 5 40 IKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 12617041 SXPAHNHCVPJVML-DEOSSOPVSA-N 440.455 5.593 5 40 IKBB CC(C)Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 12778246 VGGCBJIXKXFOSN-SFHVURJKSA-N 435.524 5.601 5 40 IKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 225860261 RMFXWFQGTOPBAH-UHFFFAOYSA-N 433.508 5.772 5 40 IKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C 409120690 VRSMZBWMONPPJQ-UHFFFAOYSA-N 441.325 6.165 5 40 IKBB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409132560 KOSQURZGMLHPGY-KIJZHVTOSA-N 443.503 5.302 5 40 IKBB O=[N+]([O-])c1cc(Br)cc2c1[nH]c1c(Br)cc(Br)cc12 1044414 DDFDIDMVHFPPST-UHFFFAOYSA-N 448.896 5.517 5 40 IKBB Cc1c(O)c(Sc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)c1-c1ccccc1 8384831 ZYYFIACCSYKVJB-UHFFFAOYSA-N 430.485 5.578 5 40 IKBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 9462191 UUNSDKOSLLTNCF-UHFFFAOYSA-N 438.318 5.246 5 40 IKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ncccc5o4)c3)o2)c([N+](=O)[O-])c1 10035089 PEIRBPSPSVVGFO-UHFFFAOYSA-N 440.415 5.619 5 40 IKBB Cc1ccc(C(=O)[C@H]2CN(C)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 13399265 AHPXALHRXWQXDF-GVAUOCQISA-N 442.515 5.196 5 40 IKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1Cl 19927382 ODKNVQHOAKWTLL-UHFFFAOYSA-N 437.308 5.155 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 408599963 PSBQUFTVVNATSD-GRSHGNNSSA-N 442.399 5.370 5 40 IKBB Cc1ccc(OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c([N+](=O)[O-])n1 8688015 AREVKEBADYHPSS-UHFFFAOYSA-N 429.885 5.120 5 40 IKBB CC(C)(C)c1ccc([C@@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc([N+](=O)[O-])cc2)cc1 14944881 IPYMILWKSDRFAW-JOCHJYFZSA-N 446.503 6.047 5 40 IKBB Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32114474 PGKXMMDLGICDQP-FMIVXFBMSA-N 441.443 5.554 5 40 IKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C 33601606 ZDSQVENLPVZAQZ-UHFFFAOYSA-N 429.885 5.252 5 40 IKBB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 797186 KEYHOQMTHHQDPU-MHECFPHRSA-N 443.503 5.518 5 40 IKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)oc2c1 8830847 WDISKECIFPYRNA-UHFFFAOYSA-N 437.839 5.382 5 40 IKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)cc1 8935176 VQKMIOZLYFLEAA-UHFFFAOYSA-N 441.827 5.520 5 40 IKBB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc([N+](=O)[O-])cc1 13388933 GCCFQFQEBFOGIS-UHFFFAOYSA-N 434.452 5.075 5 40 IKBB Cc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C 33620409 ZJTCOVZLHCMFLL-UHFFFAOYSA-N 429.483 5.749 5 40 IKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677854 NLQBFVMGRWYROQ-GOSISDBHSA-N 432.520 6.376 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 408557812 QBZYTEZANOEJFD-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 3062755 IOCVWWJMRHZSRO-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19630692 IUFBPCFYHQKMOO-UHFFFAOYSA-N 439.880 5.542 5 40 IKBB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315638 MQDSUVRURKBDKW-UHFFFAOYSA-N 449.875 6.523 5 40 IKBB C(=C/c1ccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2c1)\c1ccccc1 68569292 CBAHLCAIBAMLQE-ZHACJKMWSA-N 430.550 9.623 5 40 IKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)ccc1O 95477114 GUZLXDALZBMXST-UHFFFAOYSA-N 431.448 5.238 5 40 IKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 408832947 SGCNHFWKBCOINQ-UHFFFAOYSA-N 435.892 6.291 5 40 IKBB C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13149767 RVIRDXGGSAMBNZ-CQSZACIVSA-N 440.839 5.225 5 40 IKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1[N+](=O)[O-] 17098299 XSUYGFOIRVWOTJ-QPJJXVBHSA-N 433.247 5.822 5 40 IKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)n1c2c(c3c1CCCC3)CCCC2 59010509 DLWBERCSXRRWJR-UHFFFAOYSA-N 427.551 5.196 5 40 IKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 408572205 QVGGXRURUUJXFK-FQEVSTJZSA-N 436.895 5.818 5 40 IKBB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858940 GEJCCONRMJONOV-UHFFFAOYSA-N 433.460 5.724 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 15945763 FHBHKLZACIQMSX-YJYMSZOUSA-N 429.542 5.635 5 40 IKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 15946359 XKCDUGXCBISGOX-HXUWFJFHSA-N 438.509 5.112 5 40 IKBB O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(-c4ccccc4Cl)s3)[n+]2[O-])c1 59270013 KZYNFPTUXRYVRB-CMDGGOBGSA-N 435.892 5.843 5 40 IKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(Cl)c2)c1 408695414 QLLIBTBZPZIQNR-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1C 409205197 ADPGHWMTRDKADE-QPLCGJKRSA-N 443.528 5.687 5 40 IKBB CCCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCC2 8430995 ONUYVZMJWKEZLU-UHFFFAOYSA-N 436.917 5.398 5 40 IKBB O=[N+]([O-])c1cc(Sc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 12848562 KEFVSISFMYBPCC-UHFFFAOYSA-N 428.373 5.192 5 40 IKBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32127630 PMLSBEYGPUYNJI-UHFFFAOYSA-N 434.260 6.024 5 40 IKBB Cc1c([N+](=O)[O-])cc(C(C)C)c(-c2c(C(C)C)cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] 100099243 VLYQBPCDVIPHKP-UHFFFAOYSA-N 446.416 5.850 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102766073 GJOPLQUEPPDORD-VWNXMTODSA-N 433.895 6.107 5 40 IKBB COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 9009385 OMEFFIJOFGABJE-UHFFFAOYSA-N 432.505 5.452 5 40 IKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1CC1CCCCC1 409137980 XVLOTHTVLJSMTK-XDHOZWIPSA-N 439.493 5.399 5 40 IKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1881977 RXYCNTXUDSIDDF-OVCLIPMQSA-N 427.485 6.037 5 40 IKBB COc1cccc(N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3s2)c1 3305271 PPHRIQYGERHLMY-BUHFOSPRSA-N 431.473 5.591 5 40 IKBB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 19642281 RVNPSWDRSLTGDY-WEVVVXLNSA-N 444.900 5.248 5 40 IKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 408772133 BJZQWGIXFIOHOY-VZIOXZNFSA-N 435.505 5.325 5 40 IKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1C 409203255 XEPJOVRJAQPPLT-QPLCGJKRSA-N 443.528 5.687 5 40 IKBB Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 8722312 CNJPJCAVWPUDHF-NYYWCZLTSA-N 433.851 6.017 5 40 IKBB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 8994743 XGTJHBJTVDTHBU-UHFFFAOYSA-N 432.432 5.518 5 40 IKBB biogenic COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1 9348442 BMZFVWJZJHRJPH-UHFFFAOYSA-N 439.519 5.106 5 40 IKBB COc1ccccc1Nc1nc(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cs1 33561231 CHFOHIKASTTXSG-UHFFFAOYSA-N 433.489 6.050 5 40 IKBB Cc1ccc(S[C@@]2(CN3CCC[C@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 35189676 URRKEOIVUWSNJM-XDHUDOTRSA-N 440.565 5.050 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1Cl 106685063 BZXBUSBNERODOT-UUASQNMZSA-N 443.695 5.792 5 40 IKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 216844252 BOBLHLZIBWNCPR-HYARGMPZSA-N 446.484 5.410 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409176394 MFVLULYXSCPDIF-ISAVSCMOSA-N 439.515 6.144 5 40 IKBB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 11847381 MEESALJQUCAWEM-YSBOMUIGSA-N 431.517 5.399 5 40 IKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(Cl)ccc2C)cc1 408696097 WCLZQAOZXDONGH-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)cc1C 408826239 LALSXAKOYXVSIG-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2414566 XJKHSKVLSQPPII-GFCCVEGCSA-N 435.890 5.356 5 40 IKBB Cc1cccc(CC(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2C(C)(C)C)c1 2718570 NIQKMAUTACXBKF-UHFFFAOYSA-N 439.537 5.462 5 40 IKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14270485 ZZJNXRAJGFZHQG-UHFFFAOYSA-N 448.529 5.307 5 40 IKBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 17095632 HFQPBVFMNZTCSU-UHFFFAOYSA-N 427.844 5.499 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 17096462 SVDLEYSYEZFYDE-HNNXBMFYSA-N 429.476 6.477 5 40 IKBB O=[N+]([O-])c1ncccc1Oc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 23381045 ABTIURZABYLLKD-UHFFFAOYSA-N 427.445 5.516 5 40 IKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(F)cc1Cl 106736105 WAQCWFGRSJCOCK-UUASQNMZSA-N 427.240 5.277 5 40 IKBB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 215253664 NYXXQKODDBWZQR-CIAFOILYSA-N 448.456 5.294 5 40 IKBB CCc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2255927 VGIXIQPYBCVDBG-UHFFFAOYSA-N 440.419 5.015 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(C3C4CC5CC(C4)CC3C5)n2-c2ccccc2)cc1 2684126 XGGMXFZFRSBGFN-UHFFFAOYSA-N 446.576 6.008 5 40 IKBB COc1ccc2c(c1OC)[C@H](Cc1ccccc1)[N+]1(C)CCc3cc4c(cc3[C@H]1C2)OCO4 5385105 OWDRKYQBSBCOIW-NIMHCUBFSA-N 444.551 5.016 5 40 IKBB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9190284 BCOIJXDSVDUPMG-UHFFFAOYSA-N 443.463 5.041 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccco1)Cc1cccs1 14729702 YLZLZTLHCQFMMJ-UHFFFAOYSA-N 428.513 5.038 5 40 IKBB COc1ccc(Oc2ccc(/C=C/c3nc(-c4ccc(F)cc4)cs3)cc2[N+](=O)[O-])cc1 16035598 WNQGVYARWFROKV-QLKAYGNNSA-N 448.475 6.829 5 40 IKBB CCc1ccccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409113626 DXFIFWYLBUOSBU-UHFFFAOYSA-N 426.900 6.010 5 40 IKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 409178826 NOEGBMHXDMNEES-FQEVSTJZSA-N 430.243 5.683 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)o1 861634 KXKBKMVGIOHUSQ-UHFFFAOYSA-N 439.431 5.149 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2305714 KIULFCWWBDPAQC-UHFFFAOYSA-N 431.927 5.517 5 40 IKBB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 3330331 OFCPPCWLWZQHOO-UHFFFAOYSA-N 448.862 5.447 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 409173873 OMDGMAZSDLWFAS-UHFFFAOYSA-N 428.238 5.507 5 40 IKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 1311362 OPBJVALCAOIMDU-UHFFFAOYSA-N 426.428 5.158 5 40 IKBB CCCCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 1813377 UFBKAUGAMGRWTR-UHFFFAOYSA-N 425.627 5.857 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc1 8742806 GLFIKGFTMFDNHX-UHFFFAOYSA-N 446.264 5.306 5 40 IKBB CCc1cccc(CC)c1NC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 8762332 XKHRASBFQODCMY-UHFFFAOYSA-N 440.952 6.777 5 40 IKBB O=C(CSc1nc2cc(F)c(F)cc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 9008970 IYAVXNCDZLGTDT-UHFFFAOYSA-N 439.443 5.246 5 40 IKBB CCC(=O)Oc1cn(-c2ccc(C)c(Cl)c2)c2nc(CC)n3c4ccccc4nc3c12 9243042 LSUJSBJRTLSBPY-UHFFFAOYSA-N 432.911 5.666 5 40 IKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 16591638 UBPGGPMECGXDKG-RDTXWAMCSA-N 441.837 5.202 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 408555500 HACTXSOXXHAWAU-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1OCc1ccccc1 408585798 IUYXWFLTKGDSBB-UHFFFAOYSA-N 427.254 5.189 5 40 IKBB COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409176800 YDASVHWAGGFWDL-NRFANRHFSA-N 425.824 5.038 5 40 IKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2258123 KXUGJFCNLYTTLL-UHFFFAOYSA-N 439.563 5.591 5 40 IKBB COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c([N+](=O)[O-])c1 6239657 BCHOALXHRBJPED-UHFFFAOYSA-N 437.455 6.588 5 40 IKBB O=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 27522696 OXITWWMJQWMQBV-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 144110008 PCAGGAFNXVRHHY-UHFFFAOYSA-N 446.846 5.503 5 40 IKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223110715 LOMZHUWXFJCMNE-DHIUTWEWSA-N 447.564 5.086 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224188997 OLTSMJAHAFAZCD-XZOQPEGZSA-N 442.500 5.427 5 40 IKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408997998 PRNDNOOBMCOJRJ-UHFFFAOYSA-N 438.512 5.516 5 40 IKBB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409056267 GMSMAKKYFFRGDW-UNOMPAQXSA-N 446.912 5.664 5 40 IKBB Cc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)c([N+](=O)[O-])c1 2792146 WYWFAQCSVXDWFY-UHFFFAOYSA-N 435.465 5.011 5 40 IKBB CC(=O)n1c(Nc2ccc(F)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 3206072 KJCJWVHFQTYZKR-UHFFFAOYSA-N 449.463 5.604 5 40 IKBB CC[P@@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1c(C)nn(-c2ccccc2)c1C)N(C)C 9090564 IZGJKUQAIOBSOO-HKBQPEDESA-N 441.472 5.061 5 40 IKBB O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1Br 11614605 ZCBXKUAXGTUTIJ-UHFFFAOYSA-N 428.669 5.614 5 40 IKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 19633780 SNQBVYABNYGNCR-OEXZBZRSSA-N 441.487 6.568 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408834982 WJYYEHMQNDCAJJ-UHFFFAOYSA-N 430.489 5.649 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)o3)o2)cc1 2764902 LXFYPKDPHHYRQL-UHFFFAOYSA-N 444.359 5.740 5 40 IKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccccc2)=NC12CCCCC2 20152355 QDXSOSSBFLTSTG-UHFFFAOYSA-N 427.913 5.181 5 40 IKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 408526409 AKECMNOXYITZEB-UHFFFAOYSA-N 440.268 5.239 5 40 IKBB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 408723602 XSCLUZDFICLLCX-UHFFFAOYSA-N 445.500 5.955 5 40 IKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 408750876 SUCZUKVXNNVXDK-UHFFFAOYSA-N 447.497 5.297 5 40 IKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1 14943940 UQJOWOWBSOWFNQ-MDWZMJQESA-N 448.276 6.263 5 40 IKBB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 59498066 PYLDTURPCQQBKT-DEOSSOPVSA-N 431.492 5.935 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 408604937 FXPAVXOYZQLBQZ-UHFFFAOYSA-N 430.863 5.977 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 409208716 CQCOJLCLIAHESY-KGENOOAVSA-N 434.473 5.442 5 40 IKBB O=[N+]([O-])c1ccc([C@@H](O)CNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 3164881 CARBPWXQYHIRPY-QFIPXVFZSA-N 448.415 5.523 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl 9334117 JKUHJTQXBYWBBD-JLHYYAGUSA-N 438.270 5.771 5 40 IKBB CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 19645833 DKGCEEDNAMRTKF-BJMVGYQFSA-N 447.457 5.099 5 40 IKBB O=C(OCCC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 20429042 DFYJSZBZWUYXOK-UHFFFAOYSA-N 447.963 5.113 5 40 IKBB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cc1[N+](=O)[O-] 36394930 UJLWHLKGYDSHDP-UHFFFAOYSA-N 449.435 5.279 5 40 IKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 106714238 PKAJJCGJMPXZHW-CHHVJCJISA-N 443.695 5.792 5 40 IKBB CC(C)(C)c1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 223426307 WKTDUVYGEVMLJF-NCELDCMTSA-N 444.531 5.628 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])ccc1Cl 409177636 BGYIMIBIZCHIAE-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2c1 9441392 GGPJTEUZTYJOSN-XVNBXDOJSA-N 437.462 5.224 5 40 IKBB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 59498064 PYLDTURPCQQBKT-XMMPIXPASA-N 431.492 5.935 5 40 IKBB CCOc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 315369331 FDIRNPRTEYHLSG-UHFFFAOYSA-N 430.096 5.131 5 40 IKBB Cc1ccc(Nc2cc3sc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 6245480 HUCOXBCWELITNS-UHFFFAOYSA-N 448.547 6.770 5 40 IKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 9668673 CQUNRGAKPFXWBO-UHFFFAOYSA-N 442.855 5.146 5 40 IKBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140460 ZZUFXMUPHWHORA-UHFFFAOYSA-N 438.823 5.513 5 40 IKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8832053 VACVCGYDRCGUOG-UHFFFAOYSA-N 444.516 5.724 5 40 IKBB Cc1cccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)c1 13643673 YGLKJXWWTMHWCQ-UHFFFAOYSA-N 441.516 5.651 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2ccc(Cl)cc2s1 13839307 QPEDBPOTXBJHOM-JXMROGBWSA-N 425.853 5.770 5 40 IKBB 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QQQJRBVGKPKBMM-UHFFFAOYSA-N 429.255 5.789 5 40 IKBB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 14272144 NMZLERCJXIYNTD-UHFFFAOYSA-N 442.258 6.271 5 40 IKBB Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463631 JMWVGQGFWFRVEU-UHFFFAOYSA-N 447.491 6.394 5 40 IKBB C[C@@]12C(=O)[C@](C)(c3c1c1ccccc1c1ccccc31)[C@H]1c3ccccc3-c3ccccc3[C@@H]12 100693756 UCWQTQHDQAZVDT-YHUHDQSOSA-N 436.554 7.653 5 40 IKBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 408551466 CWUGXKDJAMPXRZ-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB Cc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1[N+](=O)[O-] 409166293 CVAOLJRZCGRMBJ-UHFFFAOYSA-N 426.538 5.244 5 40 IKBB Cc1ccc(OCc2ccc(C(=O)NCc3cc4cc(Cl)ccc4[nH]3)o2)c([N+](=O)[O-])c1 1012101 WUAQKVMYRLYKOC-UHFFFAOYSA-N 439.855 5.140 5 40 IKBB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 3146596 DCTZWFCUSNBZII-UHFFFAOYSA-N 449.532 5.983 5 40 IKBB CC(C)C(=O)Oc1cn(Cc2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243743 ZTFSDARBHSEKKO-UHFFFAOYSA-N 426.520 5.570 5 40 IKBB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17099971 CKQIKHRUHKENOY-UHFFFAOYSA-N 436.320 5.079 5 40 IKBB CC(C)COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1 79489798 NYZJNFXCJFMPTE-UHFFFAOYSA-N 431.492 6.025 5 40 IKBB CCCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC 408618867 HKDSETITAATIBZ-UHFFFAOYSA-N 437.290 5.106 5 40 IKBB S=C(NCc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974315 FAEUSUFULJWAOM-UHFFFAOYSA-N 446.539 5.366 5 40 IKBB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9517003 SULZAWIJBMXLCR-JTQLQIEISA-N 447.398 5.460 5 40 IKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 35352239 QPWKUYNPJXZQJP-HJWRWDBZSA-N 445.269 5.412 5 40 IKBB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl 408564486 YTNMHAGKJYMZOR-UHFFFAOYSA-N 427.791 5.643 5 40 IKBB Cc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] 408802596 ZFMOAENOFBZBOT-ZIRSXLEASA-N 436.557 5.957 5 40 IKBB O=[N+]([O-])c1ccc(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 1677202 CLAUHXSEYLJTIH-UHFFFAOYSA-N 432.430 6.562 5 40 IKBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2355181 MJHVBOMTYFYGJG-UHFFFAOYSA-N 433.851 5.019 5 40 IKBB CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2767051 YJPMJOHTNOGZSW-UHFFFAOYSA-N 446.484 5.906 5 40 IKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 9158350 MLNUSDWTEQPMPO-GFCCVEGCSA-N 438.318 5.561 5 40 IKBB O=[N+]([O-])c1cc(Sc2ccccc2)c2c([C@H]3OCCS3)nn(-c3ccccc3)c2c1 12377152 OTSDGXKBCHWEIZ-QFIPXVFZSA-N 435.530 5.847 5 40 IKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(C(=O)c2ccccc2)cc1 17178318 LTFWIBXLXIJMEY-UHFFFAOYSA-N 435.486 5.263 5 40 IKBB Cc1c(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cccc1[N+](=O)[O-] 33860356 GEKWWZNIOPVORY-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB O[C@@H](c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1568000 BDTADOOVIUVADX-UXHICEINSA-N 428.281 6.494 5 40 IKBB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 2423931 PRGJCCYNZOPSKD-UHFFFAOYSA-N 441.361 5.966 5 40 IKBB biogenic CCC(C)(C)[C@@H]1CC[C@H]2Oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@H]2C1 6142735 KLOIUKFRCWQAQR-MFMILTCTSA-N 444.553 5.477 5 40 IKBB O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Cc4ccccc4)cc3)=NN2c2ccccc2)cc1 9057595 TYSGAPHRWYZRTL-NDEPHWFRSA-N 433.511 6.541 5 40 IKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 16045113 NDTZLWPBHWBHHI-UHFFFAOYSA-N 430.247 5.777 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)nc(SCc1ccccc1Cl)n2Cc1ccccc1Cl 16450189 MXAGWMYHXNTRSK-UHFFFAOYSA-N 444.343 6.592 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCCC2)c(Cl)c1 21595893 YWSBBFWWTGCLKC-FMIVXFBMSA-N 437.883 5.760 5 40 IKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1 214171187 LWAWQJWFWYZIOX-YBFXNURJSA-N 440.864 5.745 5 40 IKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 1516068 VSRNVVCOEDRHNJ-UHFFFAOYSA-N 431.217 5.541 5 40 IKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2293071 VQPOTNBGFODONE-UHFFFAOYSA-N 441.535 5.181 5 40 IKBB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409120871 WQSIRSJKNSUTAQ-UHFFFAOYSA-N 447.318 6.410 5 40 IKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 1085263 ZLIAGZXINDACKN-UHFFFAOYSA-N 439.427 6.224 5 40 IKBB O=c1cc(CSc2nnc(Nc3ccccc3F)s2)c2c(ccc3ccccc32)o1 3345874 UCLHWPSTVUGELU-UHFFFAOYSA-N 435.505 5.973 5 40 IKBB Cc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1 408834522 UMUJFZZFKNMARA-UHFFFAOYSA-N 449.919 6.599 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409176396 MFVLULYXSCPDIF-PWXYAVEVSA-N 439.515 6.144 5 40 IKBB Cc1cc(C)cc(C(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)c1 11758402 QBIVPZPTKLUTNT-UHFFFAOYSA-N 429.432 5.462 5 40 IKBB O=[N+]([O-])c1ccc2c(c1)nc(-c1ccc(Br)cc1)n2-c1cccc(Cl)c1 12428751 DGGFNDRJZSELGP-UHFFFAOYSA-N 428.673 6.017 5 40 IKBB Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)s2)cc1C 12574347 CEPVWPPIUNZUBM-UHFFFAOYSA-N 444.516 6.331 5 40 IKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 15945744 TVPAJBMMJAALFB-NSPYISDASA-N 443.525 5.355 5 40 IKBB O=C(NCc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408977741 XJAQSKKZJZPCNU-UHFFFAOYSA-N 430.471 5.201 5 40 IKBB COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(NC(=O)c3ccccc3)c12 1067697 ZLJHSUMCRWCIHI-UHFFFAOYSA-N 433.489 5.579 5 40 IKBB CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2436989 AVBQURFAMDBAHW-UHFFFAOYSA-N 447.878 5.502 5 40 IKBB CCc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 2751284 YMPYUAPUPYQNKM-UHFFFAOYSA-N 433.463 6.820 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Cl)c2ccccc2)cc1/C=C(\Cl)c1ccccc1 3844615 PBRPOONQQCXZRL-ZEDXCMECSA-N 441.270 6.977 5 40 IKBB COc1cc2c(-c3ccc([N+](=O)[O-])cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC 19862261 UYWZYFSLTZRDIX-UHFFFAOYSA-N 440.459 5.475 5 40 IKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccccc1 44086067 WSPAZEIHWXNZQC-UHFFFAOYSA-N 430.489 5.178 5 40 IKBB Cn1c(Cc2cccc3ccccc23)nnc1Sc1nc2ccc([N+](=O)[O-])cc2s1 59489589 DYANEQNNYWVBHQ-UHFFFAOYSA-N 433.518 5.228 5 40 IKBB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 408816230 JDNJMANOCLEUGY-NVNXTCNLSA-N 439.276 5.147 5 40 IKBB CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2ccccc21 409120236 SOOXBBYCVWHQGT-MOSHPQCFSA-N 434.879 5.734 5 40 IKBB COC(C)(C)[C@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 2048475408 KSFFMGCOVIIBPE-BSXJZHEVSA-N 442.539 7.709 5 40 IKBB CC(C)CCOc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 13301792 WHEDFTURGZXTOX-UHFFFAOYSA-N 426.391 5.056 5 40 IKBB COc1cc(Cl)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)cc3)C[C@H]21 102722900 JFIWYHTWCJLNHA-QPPBQGQZSA-N 449.894 5.808 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223077372 QVFNSPUQVAJUAS-UHFFFAOYSA-N 435.867 5.094 5 40 IKBB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409114953 FRFAEKAULKTUDX-UHFFFAOYSA-N 440.927 6.400 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1-c1ccccc1 409180010 UDTHRLNAYDHDRP-UHFFFAOYSA-N 425.440 6.411 5 40 IKBB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 409349297 VOSGENSDEPOGLS-AREMUKBSSA-N 435.483 5.961 5 40 IKBB O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1cccnc1Cl 691692 MMYDCSCFOPTSSK-UHFFFAOYSA-N 431.908 5.110 5 40 IKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccccc1F 1052684 ZGDOOPMRNZPGTC-UHFFFAOYSA-N 431.217 5.541 5 40 IKBB O=C(COc1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 1475781 JCPQURSAKAQWCI-UHFFFAOYSA-N 440.321 5.243 5 40 IKBB CCSc1nnc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c2ccccc12 1879886 DRRYFHRTWFHOEZ-UHFFFAOYSA-N 444.516 5.878 5 40 IKBB Clc1ccc(-c2nnc3c4nnc(-c5ccc(Cl)cc5)n4c4ccccc4n23)cc1 2150357 QEOMIWROGSBSLS-UHFFFAOYSA-N 431.286 5.566 5 40 IKBB Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(CN1CCC[C@@H](C)C1)C2=O 16284107 JFCKYVCQTJQENV-GYCJOSAFSA-N 442.943 5.093 5 40 IKBB O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 17096762 QEVWACJVFCQPAT-UHFFFAOYSA-N 430.291 5.017 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)c(Cl)c2)o1 20151037 BPKIFEBXURACGW-WEVVVXLNSA-N 426.812 5.167 5 40 IKBB Cc1ccc(C(=O)[C@@H]2CN(C)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 12954402 AHPXALHRXWQXDF-UBFVSLLYSA-N 442.515 5.196 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccc(F)cc2)c(Cl)c1 16449671 VTCTYVHMZJAGGO-UHFFFAOYSA-N 429.879 5.168 5 40 IKBB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1517909 YZJMTQAQTVRIHL-UHFFFAOYSA-N 441.468 6.384 5 40 IKBB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc12 8837168 QAUQPWIIQQRUHD-UHFFFAOYSA-N 447.443 5.772 5 40 IKBB biogenic Cc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)ccc2c1oc(=O)c1ccccc12 11692227 KHAGPKMIQGFBGF-UHFFFAOYSA-N 428.271 5.579 5 40 IKBB CCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(F)cc4)c3c2c1 20183465 RVACUOAPHFZTCI-UHFFFAOYSA-N 428.423 5.687 5 40 IKBB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 35419557 UTVACYXWYRQODR-UHFFFAOYSA-N 434.945 5.243 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Cl)cc4[C@H]3C2)c1 36350574 TVTWJAZECXRZJB-VWNXMTODSA-N 433.895 6.107 5 40 IKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccc(Cl)c(Cl)c1)CO2 61997736 AFDBZMQAGJRHJW-UHFFFAOYSA-N 426.299 5.914 5 40 IKBB biogenic COc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1[N+](=O)[O-] 219823070 QSMKPWWOVMHFLC-UHFFFAOYSA-N 428.828 5.067 5 40 IKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)C2CCCCC2)c(C(C)(C)C)c1 226070161 CFECDKGNISHJBG-HSZRJFAPSA-N 434.685 5.447 5 40 IKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408999635 RONIXRUZMGWRED-UHFFFAOYSA-N 444.560 5.163 5 40 IKBB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 825998 MQUZIZPFIMYRKH-BXKMTCNYSA-N 429.476 5.128 5 40 IKBB COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)s2)cc1 939113 PSLFZSWZIBCHPO-UHFFFAOYSA-N 446.488 5.723 5 40 IKBB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc([N+](=O)[O-])ccc1Cl 3236490 OMAAXQLYYCBBKL-UHFFFAOYSA-N 428.684 5.931 5 40 IKBB COc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)cc1 408623341 SOCMMLCUZOHCDE-UHFFFAOYSA-N 449.846 6.540 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408833718 URLRIWCAWOFKHU-UHFFFAOYSA-N 447.491 6.394 5 40 IKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 409182495 LXUAJHVGOLDJGE-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB Fc1ccc(-c2[nH]c(-c3c4ccccc4c(Cl)c4ccccc34)nc2-c2ccccc2)cc1 8854946 DDCSPJQXJLYKSO-UHFFFAOYSA-N 448.928 8.510 5 40 IKBB O=[N+]([O-])c1ccc(O[S@](=O)N2C=Cc3ccccc3[C@H]2c2cc3ccccc3[nH]2)cc1 9424587 UPCMVILYWUVVGU-GTYOFVGBSA-N 431.473 5.110 5 40 IKBB CCOc1ccc(N=[P@@](c2ccncc2)(N2CCCCCC2)C(C)(C)C)c([N+](=O)[O-])c1 12560945 CVSAABLDBCYDOZ-HKBQPEDESA-N 444.516 6.136 5 40 IKBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] 214454858 TYIYPYABBSSYOG-FRKPEAEDSA-N 439.276 5.147 5 40 IKBB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223644521 SLCPRYZNLVNONC-UHFFFAOYSA-N 448.884 5.158 5 40 IKBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 8427529 JQDOQQPUNXVUDL-KYVQNOJUSA-N 448.478 5.018 5 40 IKBB O=C(CNc1cc(Cl)ccc1Oc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 14357296 DHWXINCSTNFJQY-UHFFFAOYSA-N 432.263 5.745 5 40 IKBB COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17098300 HLBQSWWEIXUPNM-QPJJXVBHSA-N 433.247 5.822 5 40 IKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 34836167 FHLZOGJYUQWHCQ-TWGQIWQCSA-N 449.290 6.346 5 40 IKBB Cc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(=O)c1ccccc1 1085270 RFVLLYLFHWRICH-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2438973 GGDIBTRVCPPGJX-UHFFFAOYSA-N 425.536 5.263 5 40 IKBB O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccccc1[N+](=O)[O-] 16449350 NGAXCIGTZGRSAR-UHFFFAOYSA-N 449.291 5.351 5 40 IKBB Cc1cccc([N+](=O)[O-])c1N(C(=O)c1ccccc1Cl)C(=O)c1ccccc1Cl 66089476 MJJYPEVCZKOFMD-UHFFFAOYSA-N 429.259 5.697 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 408556725 KEWGMJAUQGNYMC-UHFFFAOYSA-N 433.291 6.101 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409209134 FZJVXWREFQZBFV-YBFXNURJSA-N 440.864 6.058 5 40 IKBB Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 984184 GCUXQCFAVPQANR-UHFFFAOYSA-N 433.851 5.293 5 40 IKBB aggregator Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2249703 YNMVKEKNFCDZEZ-UHFFFAOYSA-N 443.938 5.420 5 40 IKBB Cc1ccc(C)c(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c1 2376973 OARLTTJIBDADST-UHFFFAOYSA-N 440.455 5.467 5 40 IKBB CC1CCN(C(=S)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)CC1 35108497 DZBVNZBYBFVXKT-UHFFFAOYSA-N 449.370 5.344 5 40 IKBB Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc3n2)cc1C 2738310 XBDLQPAOSYGIHX-UHFFFAOYSA-N 431.879 6.333 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c([C@H]2CC(c3cccc4ccccc34)=Nc3ccccc3S2)c1 8655559 RFDIQYMVHMNYQP-RUZDIDTESA-N 444.943 7.759 5 40 IKBB OCCN(CCO)c1cc(/C=C/c2c3ccccc3cc3ccccc23)nc2ccccc12 17110347 MKKBVWFJBZHWSG-BUHFOSPRSA-N 434.539 5.503 5 40 IKBB C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 96002272 YPNIIVKQXPNZOE-HCZOABNBSA-N 442.519 5.481 5 40 IKBB CC1CCN(C(=S)c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)CC1 107727122 KQJKBWYTDMRSTB-UHFFFAOYSA-N 449.370 5.344 5 40 IKBB C[C@H](/C=C/C(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C\C1=CCC[C@H]([N+](=O)[O-])C1 225411857 SIMVMXGCKDDNNL-KKOKCJCJSA-N 446.503 5.151 5 40 IKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 408610719 RVDSSEDLEGMEJN-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 408975482 KYVKOYXKJFNTQL-KRWDZBQOSA-N 440.597 6.184 5 40 IKBB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc12 12600208 OKYCGZVZPOZGJK-UHFFFAOYSA-N 430.848 5.348 5 40 IKBB Cc1noc(/C=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1[N+](=O)[O-] 33574840 ARVUKYPTINQDCU-CLFYSBASSA-N 449.688 6.057 5 40 IKBB O=C1[C@H]2[C@@H](c3ccccc3)CC[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 169683771 PZRRIJLHRFAQDB-YCAMKHIRSA-N 426.472 5.062 5 40 IKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12 408559813 WRCLRKDZHUKONI-UHFFFAOYSA-N 448.906 6.601 5 40 IKBB CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409112703 GECPSILMMVJPOL-UHFFFAOYSA-N 441.325 6.111 5 40 IKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21 2258090 YOHRSRZFPQUNSQ-UHFFFAOYSA-N 445.954 5.495 5 40 IKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2284691 OSSUZPVRZKPXEG-UHFFFAOYSA-N 425.536 5.095 5 40 IKBB O=c1c2cc(Cl)ccc2oc2nc(-c3ccc(Cl)cc3)n3c4ccccc4nc3c12 6143809 VVEWWMLXAQTANI-UHFFFAOYSA-N 432.266 6.116 5 40 IKBB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20970579 ZIROJNFITZTODM-UHFFFAOYSA-N 425.872 5.751 5 40 IKBB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100503929 PTDYKQAKYRDLHK-SAZLYLDSSA-N 448.478 5.018 5 40 IKBB Cc1ccc(CSCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408906733 DKPFNDFMQOFECJ-JJIBRWJFSA-N 432.545 5.493 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2323375 BRPKKJSVIMWYHC-UHFFFAOYSA-N 441.535 5.263 5 40 IKBB O=[N+]([O-])c1cccc(-n2cc(-c3ccc4ccccc4c3[N+](=O)[O-])c(C(F)(F)F)n2)c1 3048965 WGVONPFULMNEKH-UHFFFAOYSA-N 428.326 5.528 5 40 IKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409017455 WTMHYUPDPAJBMF-MQMKENTISA-N 442.493 5.017 5 40 IKBB CC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2653253 XNRNHGPWFKFYCY-UHFFFAOYSA-N 425.441 5.096 5 40 IKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1C(=O)c1ccccc1 13129267 CYVITXUMTQCZKZ-UHFFFAOYSA-N 434.447 5.534 5 40 IKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1[N+](=O)[O-] 887005 CXYQJIZBKAKDQY-UHFFFAOYSA-N 444.516 5.553 5 40 IKBB CCCCCN(CCCCC)[C@H](C)C(=O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 1700115 OYLJUWDAOVQPJD-XMMPIXPASA-N 445.691 8.678 5 40 IKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 15277129 QMYBKNKDAAKUDT-UHFFFAOYSA-N 427.810 5.510 5 40 IKBB COC(=O)c1cn(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc12 222571706 YMUAFSLXJQESNS-RCCKNPSSSA-N 426.428 5.217 5 40 IKBB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)[N+](C)(C)CC3)OCO2 1280428 GLCYMLMLQYKPQD-UNMCSNQZSA-N 440.604 5.530 5 40 IKBB biogenic O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 1434578 MBHUQOASOTXZII-UHFFFAOYSA-N 431.217 5.541 5 40 IKBB COc1ccc(C(=O)N2c3ccccc3[C@](C)(c3ccc([N+](=O)[O-])cc3)CC2(C)C)cc1 1780952 PVPMVTRPFTTZSM-SANMLTNESA-N 430.504 5.739 5 40 IKBB COc1ccc([N+](=O)[O-])cc1C1N(c2ccc(Cl)cc2)CCN1c1ccc(Cl)cc1 3098769 ZFOUBDQIPLOITB-UHFFFAOYSA-N 444.318 5.936 5 40 IKBB CC(=O)Nc1cc(Oc2ccc(Br)cc2Br)c(C)cc1[N+](=O)[O-] 8385697 MGQXXRKPLHLPKZ-UHFFFAOYSA-N 444.079 5.179 5 40 IKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235653 XFNJYOYFGDCGMI-UHFFFAOYSA-N 436.320 5.531 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 408555068 FROCYHQZGNRLIT-UHFFFAOYSA-N 447.318 6.491 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409192795 BICFACXQHOUIDZ-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB Cc1csc(Sc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2[N+](=O)[O-])n1 25520912 BYYGMZSSDHDVGK-UHFFFAOYSA-N 439.562 5.531 5 40 IKBB CC(=O)c1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 104369381 UZRJWRWKLSPCBB-UHFFFAOYSA-N 443.466 5.334 5 40 IKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 408557756 ORQAGNHBSNLSNH-UHFFFAOYSA-N 428.488 6.338 5 40 IKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 4014465 PYOGXAQISSFOTM-UHFFFAOYSA-N 439.255 5.052 5 40 IKBB CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 8783295 NZYQZOHIKNAUDS-DEOSSOPVSA-N 448.588 7.040 5 40 IKBB CC1CCN(c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2[N+](=O)[O-])CC1 13129592 JDWBYHKPDIFKIN-UHFFFAOYSA-N 429.520 5.351 5 40 IKBB CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)sc2c1 32119031 NAGBXOFDUWIKAD-UHFFFAOYSA-N 434.315 5.562 5 40 IKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(F)cc1Cl 215245926 UIMDAKMYMATGDL-YDZHTSKRSA-N 447.918 7.022 5 40 IKBB Cc1ccc(NC(=O)COc2cccc(CNc3cccc([N+](=O)[O-])c3)c2)cc1Cl 408559375 VJSGFAAXFJKRMI-UHFFFAOYSA-N 425.872 5.186 5 40 IKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1)c1ccccc1 408991705 OXNRGJGZXRRDMF-BNELBPEVSA-N 440.499 6.111 5 40 IKBB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409099953 SBHLLFKKQXFFAQ-XKZIYDEJSA-N 434.473 5.268 5 40 IKBB COc1ccc2c(c1)N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ssc(=S)c1-2 2068782 XUEKNXOFUURJGJ-UHFFFAOYSA-N 444.559 6.018 5 40 IKBB O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414286 FDFVUOKQPUSICH-UHFFFAOYSA-N 443.459 5.555 5 40 IKBB COc1ccc(C)cc1N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc2ccccc2s1 13126441 MAODZKWDJRZFOK-UHFFFAOYSA-N 449.488 5.509 5 40 IKBB CC(C)(C)c1ccc(Oc2ccc(/C=C3/C(=O)Nc4cc(Cl)ccc43)cc2[N+](=O)[O-])cc1 15978994 KDWMSNUSPZGWKE-UDWIEESQSA-N 448.906 6.831 5 40 IKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 16347866 RUTWKAPKLDRNHA-UHFFFAOYSA-N 437.459 5.351 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccccc2Cl)c(Cl)c1 16449675 CMWCFFXVGSZGSW-UHFFFAOYSA-N 446.334 5.682 5 40 IKBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1O 95475957 XXVWAEYISWLGAO-UHFFFAOYSA-N 431.448 5.238 5 40 IKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 408569547 JMHXOAPCSKZTHB-QGZVFWFLSA-N 439.324 5.001 5 40 IKBB CCC(=O)Nc1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1C 1312541 TVPDPUFFZZFIJT-UHFFFAOYSA-N 434.448 5.401 5 40 IKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 6143792 XJHOPSJFTUALLT-UHFFFAOYSA-N 446.264 5.306 5 40 IKBB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cc([N+](=O)[O-])ccc1Cl 9391606 ZTFLZABLYSGCRI-UHFFFAOYSA-N 435.292 5.086 5 40 IKBB O=C(Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1 9600103 YLGMREOHJDEMEO-UHFFFAOYSA-N 441.321 5.298 5 40 IKBB CCC[C@H](CCc1nc2ccccc2s1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16804806 OJNWPEVHLDXWOC-MRXNPFEDSA-N 429.454 5.071 5 40 IKBB Cc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1-c1nccn1C(F)F 22472681 ITQGONSVPWNWEF-UHFFFAOYSA-N 435.456 5.168 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032415 IEYGESFJPGTDHJ-FCHUYYIVSA-N 434.521 5.165 5 40 IKBB COc1cc2nc3ccc(NC(=S)N(C)c4ccc(C)c(C)c4)cc3nc2cc1OC 409003027 YEKPHRIBBGKJQF-UHFFFAOYSA-N 432.549 5.250 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)o1 13371659 SXVGNSPTWZHPAT-UHFFFAOYSA-N 441.443 5.668 5 40 IKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1c[nH]c2ccccc12 408566685 FZCNYPYVXJBYFH-IBGZPJMESA-N 441.314 6.462 5 40 IKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CC1CCCCC1 409132047 KRHXQDAUAVPNEW-ODLFYWEKSA-N 446.912 6.125 5 40 IKBB Cc1c(C(=O)c2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2n1C[C@@H]1CCCCN1C 3936481 QGNIEJBBHMMNOZ-NRFANRHFSA-N 441.531 5.726 5 40 IKBB in-vitro CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccccc2Cl)o1 10904792 LOJIZBRFUOETAR-UHFFFAOYSA-N 434.279 5.148 5 40 IKBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 20797364 OCXXMMIYTJWCJZ-HSZRJFAPSA-N 439.475 5.181 5 40 IKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCCSc2ccccc2)cc1 30872879 WUPVDOPSRGFLQP-UHFFFAOYSA-N 428.897 5.672 5 40 IKBB CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)c(C)c1 225311655 OZXHVDLXIKHYFH-ICBIFTLVSA-N 430.504 5.720 5 40 IKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408562166 NQJXOEORDYXONP-ATJXCDBQSA-N 433.892 5.241 5 40 IKBB S=C(Nc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408978063 XZRIFISOCLONJU-UHFFFAOYSA-N 432.512 5.688 5 40 IKBB CCOc1cc2nc3c4cc(Br)ccc4n(CC(C)C)c3nc2cc1OCC 1815060 RZCXPALOFDSNMR-UHFFFAOYSA-N 442.357 5.954 5 40 IKBB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 2809763 OKLMLZLVLZXDQZ-IYBDPMFKSA-N 435.263 5.374 5 40 IKBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1-c1nccs1 9336243 ZUSHGFYPMNBNFT-UHFFFAOYSA-N 430.536 5.044 5 40 IKBB CCCCOc1ccc(CSc2nc(-c3ccccc3OCC)n[nH]2)cc1[N+](=O)[O-] 26806756 AERRMJWUFQIEGR-UHFFFAOYSA-N 428.514 5.250 5 40 IKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)c1ccc2c(c1)OCCO2 35313209 BRWHSPJXSWSCFH-UHFFFAOYSA-N 445.525 5.139 5 40 IKBB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 107701936 GOTFPMRGWHUTBU-AATRIKPKSA-N 447.510 5.691 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408554243 CNNYEFKAXYIUHZ-UHFFFAOYSA-N 437.710 6.746 5 40 IKBB CCOC(=O)c1cn(-c2c(Cl)cccc2Cl)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 8830221 UZRMNCSSDCWQPR-UHFFFAOYSA-N 441.654 5.036 5 40 IKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOC(=O)c3ccccc3Cl)c12 9433943 DMRLLOAILHNESZ-UHFFFAOYSA-N 429.907 5.947 5 40 IKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(OCc2ccccc2)cc1 9580205 JUCVRCJNIODIQI-UHFFFAOYSA-N 445.522 6.374 5 40 IKBB CC(C)c1oc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc23)nc1-c1ccccc1 84622415 GXSLBWHEZIWZMK-JOCHJYFZSA-N 428.492 6.263 5 40 IKBB O=C(NCc1ccccc1CN1CCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224758537 XXQCNHSOCWLRKB-NLRVBDNBSA-N 441.531 5.048 5 40 IKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)sc2c1 2030317 RXVJGPICRIIDEA-UHFFFAOYSA-N 434.433 5.340 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccc(Cl)c(Cl)c3)c2c1 8733505 AKAGKGBUAVSVIN-UHFFFAOYSA-N 448.693 6.201 5 40 IKBB Cc1cccc(Oc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)c1 13129493 FNPHFCPFDNUDRI-UHFFFAOYSA-N 445.519 6.184 5 40 IKBB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(-c3ccc([N+](=O)[O-])cc3)oc2cc1O 13233172 KBRVVCXHDHCACU-UHFFFAOYSA-N 441.443 5.190 5 40 IKBB biogenic CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409111591 CXHXAXHBBJALDH-UHFFFAOYSA-N 440.927 6.455 5 40 IKBB CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409235489 BNASEBFZBXXEMW-FYJGNVAPSA-N 435.505 5.353 5 40 IKBB CCc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 3669388 XNVPIDSLMJUGIK-MHZLTWQESA-N 428.532 6.292 5 40 IKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771590 VQQMQLYCQZJDBM-GOSISDBHSA-N 448.519 5.612 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccccc1 408560886 FKXMNUUQTPWEEA-LNVKXUELSA-N 429.929 5.492 5 40 IKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(NC(=O)c2ccco2)cc1 9244936 BQYBCXWWKOGMTI-UHFFFAOYSA-N 439.423 5.149 5 40 IKBB COc1c([N+](=O)[O-])cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] 21124770 FUTAUMMIJHXWAH-UHFFFAOYSA-N 442.236 5.285 5 40 IKBB COc1ccccc1-c1nn(Cc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2OC)c1Cl 22529001 HLKFCYQWTRLSAP-UHFFFAOYSA-N 449.894 5.844 5 40 IKBB O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)F)cc2)c1 44088211 PFSWGTLWHUYEOR-UHFFFAOYSA-N 431.464 6.084 5 40 IKBB Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)o2)cc1C 107814619 CLZIKOKZOQKYSE-UHFFFAOYSA-N 439.899 5.087 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)cc1 408561962 MBULYLIXHIEHST-LNVKXUELSA-N 429.929 5.492 5 40 IKBB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 9414075 VLHHRQWRCIYHMO-UHFFFAOYSA-N 445.431 5.244 5 40 IKBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 13940039 YKOVQIDQQRLTOL-RWEWTDSWSA-N 449.850 5.488 5 40 IKBB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 17098749 CZDQCLOVWBBSHI-XVNBXDOJSA-N 434.323 5.790 5 40 IKBB CCCc1nc(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408632740 SBEUMFWEHVMYOJ-SFQUDFHCSA-N 442.522 5.034 5 40 IKBB Cc1ccc(C(=O)COC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1C 860042 SVIUEYDITMTNDI-UHFFFAOYSA-N 439.851 5.697 5 40 IKBB O=c1ccccc2c(/C=C/c3ccc(Br)cc3)nn(-c3ccc([N+](=O)[O-])cc3)c12 8397833 WHQJWTCRLHOODP-VGOFMYFVSA-N 448.276 5.227 5 40 IKBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 8964475 BAOFMJAIZRMJEG-VWLOTQADSA-N 443.503 5.207 5 40 IKBB biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127283 FQASRYGEBXCPTB-SDNWHVSQSA-N 435.439 6.208 5 40 IKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br 72229234 XGGAKYIDQMLLFM-UHFFFAOYSA-N 438.709 5.253 5 40 IKBB CCOP(=O)(Nc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2)OCC 1674712 ZYHWLTFKMHLNDY-UHFFFAOYSA-N 431.212 6.066 5 40 IKBB Cc1c(C(=O)COc2cc3oc(=O)c4ccccc4c3cc2Cl)c2ccccc2n1C 2453287 DYRNQOBQNGFSDL-UHFFFAOYSA-N 431.875 5.661 5 40 IKBB CC[C@H](C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1 9414276 HNZDUXKEFATSPV-IBGZPJMESA-N 443.459 5.726 5 40 IKBB COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)cc1SC 95465585 MYHDSNPVPPTTAZ-KRWDZBQOSA-N 447.532 5.342 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225026713 DPAKPFCXNRDXFQ-FGZHOGPDSA-N 434.521 5.165 5 40 IKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1Br 408988501 IDGMZDALMJTODY-UHFFFAOYSA-N 434.315 5.394 5 40 IKBB CCCC[C@@H](O)C[N+]1(Cc2ccc(Br)cc2)CCC(c2ccccc2)CC1 4105181 YUODEXAENTVRQL-UMGQLZEVSA-N 431.438 5.895 5 40 IKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 12418960 YWCVAIYXNMEGRG-UHFFFAOYSA-N 437.235 5.335 5 40 IKBB O=C(NCCSCc1ccccc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 13648908 QFNGGUNAGPOITG-CJLVFECKSA-N 436.508 5.324 5 40 IKBB COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 216413589 NVFIRYNNZAYEEX-QQNZBJPCSA-N 444.531 6.048 5 40 IKBB O=C(COC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccc(F)cc1 409176986 CYZHVKUFIPJYGX-UHFFFAOYSA-N 429.787 5.219 5 40 IKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)cnc32)c1 2293469 MXKASCFVOKYFFO-IBGZPJMESA-N 445.526 5.510 5 40 IKBB O=[N+]([O-])c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 16477654 YCEMIIUNJIYKLI-UHFFFAOYSA-N 442.496 6.587 5 40 IKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771634 PWYVVUSJGABYFU-UHFFFAOYSA-N 448.519 5.470 5 40 IKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408555778 IIYBVQFZTATNMG-UHFFFAOYSA-N 431.261 5.688 5 40 IKBB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 1772036 GLXAOPJSVTVKGL-VWLOTQADSA-N 434.923 6.383 5 40 IKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1 20411243 SJSHPTRGELSERY-UHFFFAOYSA-N 435.867 6.432 5 40 IKBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 1064166 KZYLIFUHWPPPSL-HSZRJFAPSA-N 431.879 5.517 5 40 IKBB biogenic Cc1ccc2c(c1)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C[C@H]2C 1815935 MDSVHNHNDYIFQV-CYBMUJFWSA-N 428.941 6.704 5 40 IKBB CC(C)CCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 2250062 JMOPRNXKOOYIDG-UHFFFAOYSA-N 431.927 5.042 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)c1 8398772 HDCDQRMBZQTQLU-NRFANRHFSA-N 439.334 6.715 5 40 IKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)N(Cc1c(Cl)cccc1Cl)c1ccccc1O2 8431053 QIDWYKQDMYDKFW-UHFFFAOYSA-N 432.219 6.254 5 40 IKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(Cl)cc1 9414201 OIHFSSSQQIIGCX-UHFFFAOYSA-N 435.823 5.499 5 40 IKBB CC(C)(C)Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(CC(C)(C)C)c1 16322832 YVJAUQQCYMHTHX-UHFFFAOYSA-N 446.975 6.443 5 40 IKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 20969978 VXHMVMKMWANUBK-QFIPXVFZSA-N 443.438 5.011 5 40 IKBB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 58405558 ZESWLUJRQMBGPH-UHFFFAOYSA-N 446.290 5.118 5 40 IKBB COc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 226068790 CUBQILLIOLROAC-HSZRJFAPSA-N 428.637 5.425 5 40 IKBB O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408909921 IXAGWLULUVTQQJ-LGUFXXKBSA-N 436.467 6.566 5 40 IKBB CCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 2737606 VVOHRZAUSLDQHI-QGZVFWFLSA-N 429.889 5.105 5 40 IKBB COc1ccc([N+](=O)[O-])cc1N=[P@](c1ccncc1)(N1CCCCCC1)C(C)(C)C 5496427 GYUOTLAVOLEONS-SSEXGKCCSA-N 430.489 5.746 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3c(Cl)cccc3Cl)c2c1 8733504 MSQHCHCHUTYIPN-UHFFFAOYSA-N 448.693 6.201 5 40 IKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 17097454 RAXLMZJXQHVXIX-UHFFFAOYSA-N 431.448 5.589 5 40 IKBB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc([N+](=O)[O-])c1 32115111 TWHBEQGFQUJVAH-UHFFFAOYSA-N 429.766 5.587 5 40 IKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 408758422 ZZXUJYCIWIKDMB-UHFFFAOYSA-N 443.846 5.946 5 40 IKBB COc1ccc(C)cc1-c1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1CC(=O)O 9507305 XTLWKKQKFSIKMT-UHFFFAOYSA-N 428.444 5.421 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 39860599 IVLKJYKWTDDCNH-WOJGMQOQSA-N 426.837 5.749 5 40 IKBB O=C1/C(=C\c2ccccc2)N=C(SCc2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 58368668 IIWGBTIYWKCDHO-XSFVSMFZSA-N 433.464 5.411 5 40 IKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 2630590 RVBRYHCOUWUTCB-VXIGYJSRSA-N 426.428 5.257 5 40 IKBB O=C(Nc1ccccc1)OCc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 8781539 SRLPWZMXIUITGE-UHFFFAOYSA-N 437.502 6.104 5 40 IKBB COc1cc(Cl)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@H]21 9312841 XANUQRHTTVEBSP-NFBKMPQASA-N 435.867 5.499 5 40 IKBB CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 15906530 SHZPRPDKPYLFFX-UHFFFAOYSA-N 428.448 5.099 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl 20366019 WYTQQLNXPDAHML-UHFFFAOYSA-N 428.720 5.205 5 40 IKBB O=[N+]([O-])c1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 102674708 DLVOZPRASBWAKG-HXUWFJFHSA-N 433.493 5.150 5 40 IKBB O=[N+]([O-])c1c(Oc2cccc(C(F)(F)F)c2)ncnc1Oc1cccc(C(F)(F)F)c1 984102 BWNPSGUMPORPKH-UHFFFAOYSA-N 445.275 6.007 5 40 IKBB O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1c(F)cccc1F 3316143 GQLLFRGWSAWBRT-IBGZPJMESA-N 446.793 5.063 5 40 IKBB O=C(CSc1ccccc1NC(=S)Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 13579088 HZCVDQLRUOQGKO-UHFFFAOYSA-N 438.534 5.135 5 40 IKBB CC(C)(C)c1ccccc1OCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223668587 DLPDRKRGYCZTNS-FCDQGJHFSA-N 444.531 5.628 5 40 IKBB O=C(O)/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nc2ccccc2o1 408632341 DPAZHOSUARMCHB-BKUYFWCQSA-N 448.456 5.533 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccccc2F)cc1 16449978 VJLKXSSNDBSWOP-UHFFFAOYSA-N 429.879 5.168 5 40 IKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 108207217 BATIPPSVZQUSCK-DHZHZOJOSA-N 446.846 5.674 5 40 IKBB Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409018400 UZEZUUJEAQXCAQ-CIAFOILYSA-N 435.505 5.351 5 40 IKBB CCCCN(CCCC)[C@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729668 MIXOXADZYDIRDZ-IQGLISFBSA-N 442.441 7.080 5 40 IKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1 1792144 JOXRFAGEPLOZSK-UHFFFAOYSA-N 443.846 6.462 5 40 IKBB C[C@@H](c1ccccc1)n1c(-c2ccccc2Cl)nc2c(c(=O)c3ccccc3n2C)c1=O 2228392 ZUSUVWVLHRYIOF-INIZCTEOSA-N 441.918 5.178 5 40 IKBB O=[N+]([O-])c1ccc(-c2nnc(/C(=C/c3ccc(-c4ccccc4)cc3)[n+]3ccccc3)o2)cc1 33739198 PPJMORTXYLHRAR-PLRJNAJWSA-N 447.474 5.646 5 40 IKBB O=C1N[C@H](c2c3ccccc3cc3ccccc23)Nc2c1sc(=S)n2-c1ccccc1 59459471 ODRQMAJJIKQUMI-JOCHJYFZSA-N 439.565 6.429 5 40 IKBB Cc1c(CC(Cl)(Cl)Cl)c2c(n1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)CC2=O 1444050 ZXWSRZORIQTYLN-UHFFFAOYSA-N 429.731 5.762 5 40 IKBB Cc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ssc(=S)c1-2 2052737 SPJJIXIMWVBKLP-UHFFFAOYSA-N 428.560 6.318 5 40 IKBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccccc1OC 9529502 ZUJORJDWKKZAIK-QFIPXVFZSA-N 442.544 5.554 5 40 IKBB O=[N+]([O-])c1cccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccccc4c32)c1 20183654 JZTZRWKBEUCALV-UHFFFAOYSA-N 445.276 5.911 5 40 IKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2c1 46085646 XDOGXEHMISXKDK-UHFFFAOYSA-N 436.386 6.099 5 40 IKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1 408558464 RJKQYJLRAUFHGW-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB O=C(c1ccccc1Cl)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 687083 HSUUFCQWUDCHLN-QHCPKHFHSA-N 431.879 5.517 5 40 IKBB biogenic,in-vitro O=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 3207521 NBXGWBXXFAESAD-UHFFFAOYSA-N 446.466 6.124 5 40 IKBB Cc1ccc(Sc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])cc1 4501562 DGQNVBQXTFOPKF-UHFFFAOYSA-N 433.577 5.372 5 40 IKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 6150739 FRAVNNUNLWWKRI-UHFFFAOYSA-N 431.927 5.300 5 40 IKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 8435630 NZYUIFJRBWMIFM-UHFFFAOYSA-N 436.518 5.306 5 40 IKBB COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)cc1OC 9010232 OSWDAZVPHBGRPL-UHFFFAOYSA-N 431.448 5.345 5 40 IKBB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294238 CHPFNRBACCDJBJ-UHFFFAOYSA-N 448.891 6.259 5 40 IKBB COc1cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1[N+](=O)[O-] 219824205 PTMLXBWYQVMZLH-UHFFFAOYSA-N 436.508 5.089 5 40 IKBB COc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408975085 JVHHXMHLDNNHTF-UHFFFAOYSA-N 446.470 5.532 5 40 IKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1[N+](=O)[O-] 1413995 RKRXFNDBCXPJFF-UHFFFAOYSA-N 431.448 5.671 5 40 IKBB C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)NC(c1ccccc1)c1ccccc1 1821260 GBFOYRRCVQZSIC-OAHLLOKOSA-N 449.557 5.591 5 40 IKBB CCCCN(CCCC)CCNc1ccc(C)c2sc3ccc(Cl)cc3c(=O)c12 4366916 PJXBWHHJRBUQSI-UHFFFAOYSA-N 431.045 6.691 5 40 IKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 20610553 VISASROZSALLLS-UHFFFAOYSA-N 435.871 5.358 5 40 IKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 106680264 BEMHYRKTFJNABX-HMAPJEAMSA-N 446.484 5.410 5 40 IKBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 409131119 NDUQCDPFFJWUPZ-LTGZKZEYSA-N 433.489 5.055 5 40 IKBB COc1ccc([N+](=O)[O-])cc1N=[P@@](c1ccncc1)(N1CCCCCC1)C(C)(C)C 5496497 GYUOTLAVOLEONS-PMERELPUSA-N 430.489 5.746 5 40 IKBB COc1cccc(Oc2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3O)n[nH]c2C)c1 9160428 ADJDKHYJRRWOBM-UHFFFAOYSA-N 447.447 5.379 5 40 IKBB O=C(NCCn1cc(SCc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9391900 CQTWMRKEHHILFB-UHFFFAOYSA-N 431.517 5.272 5 40 IKBB CC(=O)Oc1cn(-c2ccc(Oc3ccccc3)cc2)c2nc(C)n3c4ccccc4nc3c12 8871234 KWTCJHSYHUQNHZ-UHFFFAOYSA-N 448.482 5.852 5 40 IKBB CC(C)(C)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 14944073 MCUCXCAISVDLQM-DTQAZKPQSA-N 439.515 6.585 5 40 IKBB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 20411810 PNCWVCSYXNXZSX-XBXARRHUSA-N 445.884 5.075 5 40 IKBB Cc1ccccc1N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 69352478 BMNNYQFXEBBFNI-MRXNPFEDSA-N 449.557 6.358 5 40 IKBB CCCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1Br 408558594 RWIMUJNAWJMDTP-UHFFFAOYSA-N 444.123 5.521 5 40 IKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2304122 VOIJSBVARNFWBG-UHFFFAOYSA-N 441.535 5.181 5 40 IKBB O=C(COc1ccccc1)Oc1ccc2ccccc2c1Sc1ccccc1[N+](=O)[O-] 3184229 VGIPXABVKFVOBO-UHFFFAOYSA-N 431.469 5.884 5 40 IKBB CCOC(=O)c1cc(CC)sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 6134722 QCBSBZUXOJYAHD-UHFFFAOYSA-N 445.541 5.028 5 40 IKBB Cc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)c1 33736688 FFTNKIXVATZWMM-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB COc1ccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 48354433 YERHZRYZPVXDTB-CQSZACIVSA-N 425.872 5.682 5 40 IKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960755 IYVPPYKGNDDEPP-UHFFFAOYSA-N 443.547 5.610 5 40 IKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225026792 DPAKPFCXNRDXFQ-FCHUYYIVSA-N 434.521 5.165 5 40 IKBB CCOc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409178517 KPBRFMZTLHXXMT-UHFFFAOYSA-N 428.444 5.566 5 40 IKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2284627 DTTZUUVAKMBXMZ-UHFFFAOYSA-N 425.536 5.426 5 40 IKBB O=C1OC(c2ccccc2Br)=N/C1=C/c1c2ccccc2cc2ccccc12 2771647 CVEQXRLSARGPPG-HYARGMPZSA-N 428.285 6.100 5 40 IKBB Cc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 12487071 OUOCCNFXBLUAFY-UHFFFAOYSA-N 435.281 5.100 5 40 IKBB Cc1ccccc1-n1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398723 KMSQZWQSXKRXRA-UHFFFAOYSA-N 448.309 5.305 5 40 IKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409182472 LFXGFXHPTDCYNZ-UHFFFAOYSA-N 441.508 6.692 5 40 IKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2Cl)cc1/C=C\c1ccccc1Cl 5080543 ZOBSHOPXQIJEGN-HWAYABPNSA-N 441.270 7.151 5 40 IKBB O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 35108915 RDVVJXPVOCKBTN-UHFFFAOYSA-N 426.306 5.243 5 40 IKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409176393 MFVLULYXSCPDIF-IFYYMMSRSA-N 439.515 6.144 5 40 IKBB O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)N[C@@H](Cc1ccccc1)C(=O)O 2387209 DPTMGBIKSPWCNS-VWLOTQADSA-N 435.523 5.719 5 40 IKBB in-vitro COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(Cl)cc1Cl 2439907 IOTQDYFMMPFPHH-UHFFFAOYSA-N 438.314 6.132 5 40 IKBB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122609 GTTZYXRDLMOVIN-UHFFFAOYSA-N 446.438 5.395 5 40 IKBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccc(C)o3)c([N+](=O)[O-])c2)c(C)c1 8746731 SFVSKQSDGSQOOQ-INIZCTEOSA-N 429.498 5.087 5 40 IKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(OC)cc1Cl 12418122 HYIGIRQELOPDLQ-UHFFFAOYSA-N 427.265 5.386 5 40 IKBB CC(=O)c1ccc(SCCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 16321913 LJOSSRUURSABLR-UHFFFAOYSA-N 448.522 5.573 5 40 IKBB Cc1ccc(-c2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=S)n2-c2ccccc2)cc1 16769678 JGQMAVIFYCZMAR-UHFFFAOYSA-N 430.489 5.170 5 40 IKBB COc1ccc(N(C)C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 408975696 LTNNTTGUMGALEX-UHFFFAOYSA-N 430.558 5.840 5 40 IKBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409200616 IXUUCDBEZOUMQY-LDADJPATSA-N 425.853 5.280 5 40 IKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccccc3)ccc3ccccc23)cc1 16480627 BXKJTCIIBMRAPZ-UHFFFAOYSA-N 427.504 5.529 5 40 IKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc4c(cc23)OCCO4)cc1 20183478 TWVZUBQTWXBLQE-UHFFFAOYSA-N 438.443 5.229 5 40 IKBB Cc1cc(NC(=O)COC(=O)/C(=C\c2cccs2)c2cccs2)c([N+](=O)[O-])cc1C 34834712 XXZVYDQNBRROLY-WJDWOHSUSA-N 442.518 5.057 5 40 IKBB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 48354746 CRQUPBLTALFORP-UHFFFAOYSA-N 435.446 5.110 5 40 IKBB Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409117417 XWJHDAOJASLMTO-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB COC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n1c3ccccc3nc21 2970610 QPRRAAXLMJZYEN-UHFFFAOYSA-N 433.920 5.768 5 40 IKBB Cc1ccccc1CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 9391910 KNTVGDKNCFJFBK-UHFFFAOYSA-N 445.544 5.580 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)nc12 10010634 LRUHRWUOFZVCEU-UHFFFAOYSA-N 447.831 5.518 5 40 IKBB O=C(O)c1ccccc1-c1c2c3ccccc3c(=O)cc-2oc2cc(O)c3ccccc3c12 16525398 ZXJFCTOFBYDWAZ-UHFFFAOYSA-N 432.431 6.275 5 40 IKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 27519504 ARBZDJPPRLRYHJ-AUWJEWJLSA-N 439.674 5.252 5 40 IKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180364 RRLAWKUWNFEYHQ-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc(C)cc5[N+](=O)[O-])o4)nc3c12 2792364 UAQLRTUPUQSLFF-UHFFFAOYSA-N 449.492 5.265 5 40 IKBB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 3426289 AYIITWLOZRVJTH-UHFFFAOYSA-N 449.532 5.040 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 19633785 SNQBVYABNYGNCR-VRXKTSEUSA-N 441.487 6.568 5 40 IKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1C 35339460 BMEOZTXHMCJRDN-UHFFFAOYSA-N 429.885 5.252 5 40 IKBB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 108068421 MJQXQUPYSCEBHT-MOSHPQCFSA-N 445.500 5.147 5 40 IKBB CC(C)(C)c1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)OCO3)cc1 226762711 IQNOWZKOFSKMTP-QFIPXVFZSA-N 446.503 6.047 5 40 IKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(CC)c1 2419791 PDARPJOKTNHKLH-UHFFFAOYSA-N 425.536 5.426 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1cccc(C(F)(F)F)c1 8894307 OLVOCVIGLNLSJZ-CSKARUKUSA-N 427.338 5.076 5 40 IKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)c1 102766070 GJOPLQUEPPDORD-UPVQGACJSA-N 433.895 6.107 5 40 IKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 214629701 BLXJOIWMIRDBLX-CIAFOILYSA-N 434.473 5.708 5 40 IKBB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 825999 MQUZIZPFIMYRKH-MZNJEOGPSA-N 429.476 5.128 5 40 IKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 2334065 HHRMHIWYNXPIOQ-UHFFFAOYSA-N 426.885 5.440 5 40 IKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2405157 VOWKHNPDQXCQCH-UHFFFAOYSA-N 441.535 5.037 5 40 IKBB Cc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1Br 9111506 VCNLTLSFMKZMRS-NSHDSACASA-N 446.305 5.182 5 40 IKBB Cc1ccc(-c2ccc(COC(=O)COc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 16347926 DCXQCJJSJBPKAG-UHFFFAOYSA-N 436.247 5.592 5 40 IKBB CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)CC1 108211722 NYAHSRAPRDEFFG-UHFFFAOYSA-N 449.370 5.344 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3Cl)n2)cc1 108972452 NDQFDOGKMKIWDR-UHFFFAOYSA-N 437.908 6.694 5 40 IKBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408622536 QZYQRZKDXGXPIG-UHFFFAOYSA-N 434.835 6.553 5 40 IKBB O=C(CN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21)c1ccccc1 718237 SIQZXOBVXSNEFV-QFIPXVFZSA-N 435.483 5.339 5 40 IKBB Cc1cc(C)c2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1813955 RWFCNRCNHLGTQX-AWEZNQCLSA-N 442.968 7.012 5 40 IKBB Cc1ncc(NC(=O)c2cccc([N+](=O)[O-])c2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124342 RZNLVBWPBNLKGD-UHFFFAOYSA-N 439.884 5.118 5 40 IKBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)cc1 408563183 URKKMTUKKYPHHH-LNVKXUELSA-N 429.929 5.492 5 40 IKBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3C=O)nnc2-c2ccccc2O)c(C)c1 408602101 AIZOHSYHSVUFRT-UHFFFAOYSA-N 446.488 5.129 5 40 IKBB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 409349298 VOSGENSDEPOGLS-SANMLTNESA-N 435.483 5.961 5 40 IKBB O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1c2ccccc2Sc2ccccc21 1825111 HJELOLDPUAAGQK-UHFFFAOYSA-N 438.917 6.906 5 40 IKBB O=c1c2ccccc2c(=O)c2c1c(Nc1ccccc1)cc1oc3cc(Cl)ccc3[nH]c12 6473754 XSGHCGIANXUIEO-UHFFFAOYSA-N 438.870 6.338 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 17098730 IOIVHUDVHXRMND-UHFFFAOYSA-N 434.260 6.024 5 40 IKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1Cl 409178617 NGCYDFRTGUWZOG-UHFFFAOYSA-N 428.784 5.306 5 40 IKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2307802 LKCQNCDEGPFRDT-UHFFFAOYSA-N 439.563 5.735 5 40 IKBB COc1ccc(Oc2cc(NC(=O)[C@@H](C)n3nc(C)c(Cl)c3C)cc([N+](=O)[O-])c2)cc1 2805314 HRSIFTCVGPQRGY-CQSZACIVSA-N 444.875 5.062 5 40 IKBB Cc1ccccc1NC(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 8691589 BESWULOOWADLPK-UHFFFAOYSA-N 442.431 5.961 5 40 IKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2ccc(CO)o2)cc1 20145348 NFTCZTLQFPIXJN-SDNWHVSQSA-N 430.416 5.259 5 40 IKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20610551 YVFKCGFGLXOIPJ-UHFFFAOYSA-N 435.871 5.358 5 40 IKBB COc1cc(C2=N/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)cc(OC)c1OC 33409538 RIGCJUZKQVSEIT-PXLXIMEGSA-N 439.467 5.363 5 40 IKBB c1ccc(-c2nn3c4cc(N5CCC(N6CCCC6)CC5)ccc4nc3c3ccccc23)cc1 45221316 OPLHVJJEFIBFRT-UHFFFAOYSA-N 447.586 5.767 5 40 IKBB C[C@@H]1CCCCN1c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57313803 BPWYJHAPSGAACY-CYBMUJFWSA-N 429.929 6.094 5 40 IKBB CCCCOc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 1840466 IZSZKPCFBHWAPY-UHFFFAOYSA-N 439.475 5.723 5 40 IKBB O=c1c2ccccc2c2nccc3c4cc(OCc5c(Cl)cccc5Cl)ccc4n1c32 8792418 HJMRHYPUXJOWOV-UHFFFAOYSA-N 445.305 6.478 5 40 IKBB biogenic O=C1[C@@H]2[C@@H](c3ccccc3)CC[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8826679 PZRRIJLHRFAQDB-MOUTVQLLSA-N 426.472 5.062 5 40 IKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 12777558 AFNMGUNZRHYSPI-CYBMUJFWSA-N 448.306 5.709 5 40 IKBB CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 13101392 SQAADECEODWYGJ-UHFFFAOYSA-N 440.584 6.768 5 40 IKBB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 409230528 ZDEFSYJJNWRBDW-HMAPJEAMSA-N 445.500 5.147 5 40 IKBB CCCOc1cc2nc3c4cc(Br)ccc4n(CC)c3nc2cc1OCCC 2288568 SQHUXQGKIMPXLN-UHFFFAOYSA-N 442.357 6.098 5 40 IKBB O=C(O)c1ccc(Nc2nc(-c3ccccc3)c(Oc3ccc([N+](=O)[O-])cc3)s2)cc1 16492318 DGSVJPLEEZZHGL-UHFFFAOYSA-N 433.445 5.952 5 40 IKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 57316998 SQFROVJIUCZKAH-UHFFFAOYSA-N 435.661 5.201 5 40 IKBB O=[N+]([O-])c1c(O)nc(/C=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc1O 409351432 UKBJEWMFQLHRNH-VAWYXSNFSA-N 438.443 5.123 5 40 IKBB COc1ccc2c(=O)c3c(nc(-c4ccc(Cl)cc4)n4c5ccccc5nc34)oc2c1 6143808 AQSYUNRKTMGUPU-UHFFFAOYSA-N 427.847 5.471 5 40 IKBB Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 9076062 YLBLJHYZWAMMLL-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 10128863 VBZKLEIGSPYRJC-UHFFFAOYSA-N 434.835 5.582 5 40 IKBB O=C1c2ccccc2N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1c1ccccc1Cl 16524323 GFKZSSVYTZNAPY-QHCPKHFHSA-N 445.862 6.279 5 40 IKBB C[C@@H]1CCc2c(sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)c2C(N)=O)C1 21595930 JMRSOFTUTRZVOU-MRVPVSSYSA-N 449.941 5.000 5 40 IKBB Cc1ccc2c(c1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 59428140 QTNUZNQOZFWLDP-UHFFFAOYSA-N 442.587 6.247 5 40 IKBB CCn1c2ccccc2c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3nc21 3426010 DMEICKJCWBKEQR-UHFFFAOYSA-N 436.924 5.212 5 40 IKBB CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1[N+](=O)[O-] 10120338 AXNYVXADXIDFII-UHFFFAOYSA-N 445.475 5.349 5 40 IKBB C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 14360655 MASYCKHCZVCTBZ-CQSZACIVSA-N 438.310 6.484 5 40 IKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(F)c3)o2)c([N+](=O)[O-])c1 21576332 ZSBNPBFQODJKPK-UHFFFAOYSA-N 439.443 5.245 5 40 IKBB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 59490035 VIDVLQXJVHJTQA-GBXCKJPGSA-N 443.975 5.938 5 40 IKBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3CC[C@H](CC)O3)c21 90415593 IMLOORYQWUJFQT-YWZLYKJASA-N 446.499 6.095 5 40 IKBB COc1ccc(-c2csc(=Nc3ccccc3)n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 252672734 QKZRRGSYSBVQHQ-HSZRJFAPSA-N 447.516 5.099 5 40 IKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1 408565040 BBJRBXAQLMRTJJ-QFIPXVFZSA-N 434.521 5.238 5 40 IKBB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] 8832195 LQQRLNJSUBIADK-UHFFFAOYSA-N 445.479 5.021 5 40 IKBB COc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 9544678 FSKQMYHGLRHFKM-UHFFFAOYSA-N 428.828 5.310 5 40 IKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1 13628617 MFACXRJQQHXFRO-XNTDXEJSSA-N 443.503 5.797 5 40 IKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl 19639803 UIRIRAPAPRJQNR-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)N2c1ccccc1 71326322 RCYRFNZORHBYQC-RDPSFJRHSA-N 445.500 5.082 5 40 IKBB Cc1cc(Br)ccc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 408603630 CBECLOYKANEBLC-UHFFFAOYSA-N 427.298 5.857 5 40 IKBB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc([N+](=O)[O-])cc4)C(=O)O3)sc2c1Cl 408973067 YFSFIHXBILZOSF-WQLSENKSSA-N 449.271 5.469 5 40 IKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1OC 706785 QBJCBPDPVZXYBS-LJQANCHMSA-N 436.895 5.914 5 40 IKBB O=c1oc2ccc3ccccc3c2cc1-c1ncc(-c2ccc(Br)cc2)s1 2158268 QPDNJGRPHMAVMH-UHFFFAOYSA-N 434.314 6.499 5 40 IKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 3243257 VDBSDLUWRDTVLA-NTCAYCPXSA-N 440.459 5.108 5 40 IKBB COCCN(C(=O)c1oc2ccccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9120046 OGWLTUGUIUAEMB-UHFFFAOYSA-N 437.477 5.066 5 40 IKBB COc1cccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 11614349 XPZOOILFJRSVPH-JOCHJYFZSA-N 438.439 5.001 5 40 IKBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc([N+](=O)[O-])cc1Cl 13748739 PUUHUHGXVHJWRN-KPKJPENVSA-N 448.822 5.026 5 40 IKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OCc1ccccc1 408625165 XCSSQPYGWAZXAL-UHFFFAOYSA-N 440.883 5.787 5 40 IKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 408678764 CXPLJGPFWOCNOR-JOCHJYFZSA-N 443.908 5.345 5 40 IKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 409336592 QCROKZWXCMLMDH-DNLDMXRNSA-N 429.314 5.662 5 40 IKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccc(Br)cc4)c3cc12 2197756 XTPJBVSROKYJNO-UHFFFAOYSA-N 435.273 6.439 5 40 IKBB COc1cc(Cl)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@H]21 9312842 XANUQRHTTVEBSP-OFNKIYASSA-N 435.867 5.499 5 40 IKBB CCN1CCN(c2ccc(NCc3cc(=O)oc4ccc5ccccc5c34)cc2C)CC1 57878629 PJHTVZSVCOYSGB-UHFFFAOYSA-N 427.548 5.009 5 40 IKBB Cc1ccc(N2C(=O)/C(=C\Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3C2=O)c(C)c1 103005067 XHMLBQZTGZEWSI-STZFKDTASA-N 427.460 5.160 5 40 IKBB Cc1ccc(S[C@@]2(CN3CCC[C@@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 221902271 URRKEOIVUWSNJM-OSPHWJPCSA-N 440.565 5.050 5 40 IKBB CCCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Br 408604074 DFVIKTKBHFXDBE-UHFFFAOYSA-N 444.123 5.521 5 40 IKBB COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 409319798 LZMRVRUOTVZGIW-CPNJWEJPSA-N 436.851 5.214 5 40 IKBB O=[N+]([O-])c1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccc(Cl)cc3)n2)cc1 6445311 JYBMEGFQNXXDKL-UHFFFAOYSA-N 437.847 5.126 5 40 IKBB Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CC[C@H](C)C4)c([N+](=O)[O-])n1 8825338 KYGZNEBTZHZKPS-LBPRGKRZSA-N 433.493 5.282 5 40 IKBB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2c1 17098654 UKSQAUPKFNRHFC-NYYWCZLTSA-N 433.851 6.017 5 40 IKBB Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)c1 408620145 KPHKGXDIZREXHN-UHFFFAOYSA-N 433.847 6.840 5 40 IKBB COc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 1397948 LFRSXPMYVWKKNR-UHFFFAOYSA-N 439.276 6.016 5 40 IKBB CCCCCC[C@H](C)C[C@H](CCCCCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 5047574 RHMQUCJFHNCQBF-GMAHTHKFSA-N 434.621 6.677 5 40 IKBB Cc1c(C(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)cccc1[N+](=O)[O-] 9413939 LEGAFVAJRNELGS-UHFFFAOYSA-N 433.395 5.293 5 40 IKBB Cc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)c1 1879652 SUNMTGYNLLTBBT-UHFFFAOYSA-N 436.924 6.097 5 40 IKBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCc2ccccc2)c1 12559645 WOYXVCYYSNZHQP-BZZOAKBMSA-N 435.936 6.253 5 40 IKBB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 12987681 STDIOSOIBSFKDL-UHFFFAOYSA-N 435.267 5.002 5 40 IKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(OCc2ccccc2)cc1 14807939 SBGQKBSNZCOJNP-UHFFFAOYSA-N 435.479 5.339 5 40 IKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccccn1 408825230 AVNNPMIACDRRRO-UHFFFAOYSA-N 436.880 5.686 5 40 IKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1 409112637 FSJLBYVBRTXTOE-UHFFFAOYSA-N 442.422 6.013 5 40 IKBB O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1 8989922 WLTRVISOWGSBTF-UHFFFAOYSA-N 433.467 7.111 5 40 IKBB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CSC3)c1 9404478 PIUDZSNOVKGCAG-UHFFFAOYSA-N 428.901 5.050 5 40 IKBB O=C(NC12CC3CC(CC(C3)C1)C2)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 101441069 YDRMMSFHULARGT-WBTBWGOPSA-N 434.580 5.518 5 40 IKBB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccc(Cl)cc1 253576035 VIDVLQXJVHJTQA-RDPSFJRHSA-N 443.975 5.938 5 40 IKBB Cc1ccc(C)c2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 877634 APJRSGCZJHKTTG-UHFFFAOYSA-N 444.516 5.553 5 40 IKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2400394 RKYMVHPXKXREPY-CYBMUJFWSA-N 447.926 5.225 5 40 IKBB CC[C@@H](C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1 9414280 HNZDUXKEFATSPV-LJQANCHMSA-N 443.459 5.726 5 40 IKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4)o3)nc12 10010624 SPXNQAUTVWXKSM-VQHVLOKHSA-N 439.424 5.264 5 40 IKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccccc1 59418136 OWNWJJZDAWGNSU-WOJGMQOQSA-N 426.837 5.749 5 40 IKBB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 59428143 USWIFJIEMFIFKS-UHFFFAOYSA-N 442.587 6.247 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223368396 MXQMVAMACHJYSN-YADHBBJMSA-N 446.488 5.016 5 40 IKBB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1 408695914 UZBQYWPAKJFMNP-UHFFFAOYSA-N 447.882 5.365 5 40 IKBB CCCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2110703 FNISUZBIZAVLGM-UHFFFAOYSA-N 438.505 5.705 5 40 IKBB Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(C3SCCCS3)c2)cc1[N+](=O)[O-] 18708314 FHSVUXHUSXLNIE-UHFFFAOYSA-N 444.987 5.226 5 40 IKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)O)ccc3Cl)o2)c([N+](=O)[O-])c1 20150995 ATADHBFLDBVSCJ-WEVVVXLNSA-N 426.812 5.167 5 40 IKBB O=C(O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc1 95473060 ZUUQADITXAOBII-UHFFFAOYSA-N 443.459 5.612 5 40 IKBB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 101358113 XNLSBZGHOZSBMX-UHFFFAOYSA-N 436.876 5.742 5 40 IKBB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC 408624301 VMANEZCZGURRHD-UHFFFAOYSA-N 437.290 5.106 5 40 IKBB O=C(Nc1ccc(-c2c3ccccc3nc3ccccc23)cc1)C12CC3CC(CC(C3)C1)C2 13893864 WICGSVRBPPFUFX-UHFFFAOYSA-N 432.567 7.210 5 40 IKBB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 33389040 UJLXQDMSQIJEPJ-UHFFFAOYSA-N 426.542 5.509 5 40 IKBB Cc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] 59961025 AHMYMHAFDCSGTI-UHFFFAOYSA-N 426.538 5.172 5 40 IKBB CCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409222565 BWMXAPRBHFHDBQ-HYARGMPZSA-N 448.500 5.773 5 40 IKBB CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2 8687010 DIGXBHFXVQRLEZ-UHFFFAOYSA-N 449.308 5.354 5 40 IKBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2195703 GCDHTUZWHHWHCW-UHFFFAOYSA-N 438.318 5.391 5 40 IKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1C1CCCC1 2246563 NDIDLPCGXSPWPZ-UHFFFAOYSA-N 429.911 5.111 5 40 IKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 9056861 BOTHAZUQTHNFLI-UHFFFAOYSA-N 438.270 6.369 5 40 IKBB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] 17096154 YCIYAQQNPODXDP-UHFFFAOYSA-N 428.684 5.931 5 40 IKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 26124480 BWBRTRJVJNGLOO-UHFFFAOYSA-N 442.262 5.196 5 40 IKBB C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 95459105 XITTYGFZRBGCNP-QVKFZJNVSA-N 434.471 5.109 5 40 IKBB O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cc1 103116498 XPRBOWAKIFLGLQ-OAQYLSRUSA-N 440.286 5.986 5 40 IKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408609912 PKGUGCMIYLZDFZ-UHFFFAOYSA-N 447.716 6.202 5 40 IKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 409214477 VLEJPOXNHHNAIX-YBFXNURJSA-N 440.864 6.058 5 40 IKBB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cccc([N+](=O)[O-])c1 677508 KWJOCVPTXCCJLB-UHFFFAOYSA-N 438.237 5.418 5 40 IKBB O=C(O)C[C@H](C(=O)O)[C@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1673207 PMCXMNWKMHPDIP-LBNVMWSVSA-N 434.491 6.454 5 40 IKBB Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3cccc(C)c3C)c(=O)[nH]c2c1 17180721 CCPZISDVAMREJE-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB C[S@](=O)C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 96003636 WYKJILZFMDEBMA-WWOZWPLTSA-N 444.940 5.250 5 40 IKBB c1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc(-c3ccccc3)cs2)cc1 102932739 AOAZUEYXUNCFMI-OHYPFYFLSA-N 430.532 7.609 5 40 IKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 408902975 SYCPIHWNFXEYGZ-KGENOOAVSA-N 432.457 5.415 5 40 IKBB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 408906820 IOMNHTGVMYIEOU-VFCFBJKWSA-N 448.522 6.364 5 40 IKBB COc1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)c([N+](=O)[O-])c1 408988484 ICFLHHYYQSZEII-UHFFFAOYSA-N 437.477 5.510 5 40 IKBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 409202547 UJNTZGVXPKJFCA-BZZOAKBMSA-N 449.919 5.723 5 40 IKBB CCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 2736910 HBJDGJJIKNKOQG-GOSISDBHSA-N 443.916 5.496 5 40 IKBB O=c1oc2cc(OCc3ccc(F)cc3)cc(OCc3ccc(F)cc3)c2c2ccccc12 8809477 SUUQWSPRUFIDFH-UHFFFAOYSA-N 444.433 6.382 5 40 IKBB Cc1ccccc1Cn1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 9277144 LCWKNUKVWHHNCB-UHFFFAOYSA-N 431.517 5.637 5 40 IKBB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 9427376 FVBYUDGOKOJKAZ-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 13644231 GUJJSZNUWYODGQ-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=[N+]([O-])c1ccc(COc2ccc(-c3csc4nnc(-c5ccccc5)n34)cc2)cc1 16493669 ZDGXVAUJKIMGEZ-UHFFFAOYSA-N 428.473 5.612 5 40 IKBB Cc1c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cccc1[N+](=O)[O-] 33722691 SOZZCHFCMLAPTH-UHFFFAOYSA-N 440.333 5.552 5 40 IKBB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223644133 LNDYVYATKBNCFF-UHFFFAOYSA-N 448.884 5.158 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1 224537807 UTWVDDVDBMCROL-UHFFFAOYSA-N 434.492 5.750 5 40 IKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409089663 OOKXNPMBMOBZCV-ZDLGFXPLSA-N 443.278 5.703 5 40 IKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 409336594 QCROKZWXCMLMDH-UBNQIVLKSA-N 429.314 5.662 5 40 IKBB CCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 3298691 NAYIIANQHGAQFZ-UHFFFAOYSA-N 427.464 5.474 5 40 IKBB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 9076042 IEGKPGOCYSXWSW-UHFFFAOYSA-N 441.487 5.209 5 40 IKBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(Oc2ccccc2)cc1 12521525 QJPRRJFNSGQOJN-UHFFFAOYSA-N 436.467 5.491 5 40 IKBB Cc1ncc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615864 UZXOWFQXHPKXKE-NYYWCZLTSA-N 449.467 5.003 5 40 IKBB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 59489908 MHFZSPHYCGNPJM-RUZDIDTESA-N 425.573 5.634 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1Cl 224480749 RRJAXNAERGTGRN-UHFFFAOYSA-N 426.856 5.478 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C(C)(C)C)cc1 224524151 KMVRTVQTKLSACV-UHFFFAOYSA-N 448.519 6.122 5 40 IKBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 6510975 JUVCPTSBPOKOJK-UHFFFAOYSA-N 433.895 5.626 5 40 IKBB Cc1cc([C@H](O)CN(CCC(C)C)CCC(C)C)cc2c1ccc1cc(C(C)C)ccc12 6522000 VIFIKDKTFPGKQR-SSEXGKCCSA-N 433.680 7.852 5 40 IKBB CCCCCCn1cc(OC(=O)CCCC)c2c1nc(CCCC)n1c3ccccc3nc21 9242870 DHDPWZUXDWPUMX-UHFFFAOYSA-N 448.611 6.856 5 40 IKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccccc1 409020405 OXLUFVRKHMOQME-LZYBPNLTSA-N 444.230 5.259 5 40 IKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3cccc(C(F)(F)F)c3)c2c1 8733619 SDPNIWIAVMOVLT-UHFFFAOYSA-N 447.800 5.913 5 40 IKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 9158666 KRRGBRVVMFNRFU-XXBNENTESA-N 449.850 5.219 5 40 IKBB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1C 103004433 IYAVDGCSOMUITF-DEDYPNTBSA-N 447.878 5.505 5 40 IKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223123591 LYZKQLSAOFDQSB-GOTSBHOMSA-N 448.548 5.555 5 40 IKBB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226341588 GDAPRVFSNZORFM-VMPITWQZSA-N 440.677 5.166 5 40 IKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(C(=O)OCc2ccccc2)cc1 4771219 FIWBXZGDCOORGS-UHFFFAOYSA-N 426.812 5.216 5 40 IKBB COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924939 HBFBKNZFTYOENN-JOCHJYFZSA-N 435.867 5.248 5 40 IKBB COc1ccccc1NC(=O)CSc1ncnc2c1sc1nc3cc(C)ccc3cc12 35313592 YTQTYTAZGPIONV-UHFFFAOYSA-N 446.557 5.441 5 40 IKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 101328117 VCJBBXVOBLEQDN-UHFFFAOYSA-N 436.876 5.742 5 40 IKBB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 106739339 DJOYALFKQRUKOC-MOSHPQCFSA-N 442.493 5.019 5 40 IKBB COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408623384 SVZAXZKRXJUQLR-UHFFFAOYSA-N 449.846 6.540 5 40 IKBB CC1=C(c2ccccc2)[C@@]2(c3ccccc3)OC(c3ccc([N+](=O)[O-])cc3)=NO[C@]2(C)C1 1567831 QYIZWGPNEMYKDX-CLJLJLNGSA-N 426.472 5.835 5 40 IKBB CCCC(=O)Oc1cn(Cc2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 8871239 OMIOOMWPKVBCEY-UHFFFAOYSA-N 426.520 5.544 5 40 IKBB Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n(-c2nc(-c3ccccc3)cs2)n1 12441727 RLRSGZIDAYHFIW-UHFFFAOYSA-N 439.884 5.118 5 40 IKBB CCCCOC(=O)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 20583478 TZZXTJLFNWUACX-UHFFFAOYSA-N 432.885 5.672 5 40 IKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1C 224615323 DSEXCQPGKSPULI-UHFFFAOYSA-N 448.519 6.058 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408822081 BDPXDVPLMWVEQA-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N(C1CCCCC1)C1CCCCC1 13371988 OBCYPUNLMCTZCE-UHFFFAOYSA-N 444.557 5.231 5 40 IKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229387 PXYHGAJZRRYXCM-LLVKDONJSA-N 442.730 6.186 5 40 IKBB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl 225508502 IZGWGIQTKMYPEP-HNNXBMFYSA-N 432.904 5.112 5 40 IKBB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(Br)cc(F)cc1[N+](=O)[O-] 521840098 AQZOSVGQCGBEPO-UHFFFAOYSA-N 435.246 5.173 5 40 IKBB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 1149582 HDLZJOOHELMXLE-ODLFYWEKSA-N 440.864 5.745 5 40 IKBB Cc1ccc(C)c2c1c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2Cl)o1 1893345 PRYYNUWXRASKLO-UHFFFAOYSA-N 439.906 6.106 5 40 IKBB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 1911805 DWQSXLSNTQNNPF-UHFFFAOYSA-N 430.869 5.406 5 40 IKBB COc1cc(Cl)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)cc3)C[C@H]21 9353642 JFIWYHTWCJLNHA-ZJSXRUAMSA-N 449.894 5.808 5 40 IKBB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 14272556 VDYCVKLSCVRXGX-BJMVGYQFSA-N 447.878 6.325 5 40 IKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 16610678 RXYBXAXEFDDQNB-RTGRKSDTSA-N 441.487 6.568 5 40 IKBB FC(F)(F)c1cccc(N2CCN(c3nc4ccccc4c4[nH]c5ccccc5c34)CC2)c1 1877756 MMHZQZVJQHGIQI-UHFFFAOYSA-N 446.476 6.215 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1)[C@@H]1C[C@@H]1c1ccccc1 8432266 AYFWMOYCTXGBJA-GXRSIYKFSA-N 441.487 5.079 5 40 IKBB C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 8442389 WCTWYXKSUJFMLH-JPYYHWIRSA-N 438.483 5.228 5 40 IKBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 11852785 SXXIOTPAZFCFOG-UHFFFAOYSA-N 438.515 5.795 5 40 IKBB COc1ccc2c(C(F)(F)F)cc(SCC(=O)c3cc([N+](=O)[O-])cs3)nc2c1 12139525 DBQCQRXPLRNOBF-UHFFFAOYSA-N 428.413 5.207 5 40 IKBB Cc1ccc(N(C)C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C 33560058 NQDOBJRPFAPIKY-UHFFFAOYSA-N 428.586 6.448 5 40 IKBB O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 89851218 FVEWVTQHXPPCKX-UHFFFAOYSA-N 431.473 5.403 5 40 IKBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC[C@H]2C)cc1[N+](=O)[O-] 22079292 SIWLYWZFRPZUBW-CYBMUJFWSA-N 437.418 5.253 5 40 IKBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1)[N+](=O)[O-] 33850462 NNBRMHBVXSCQLD-JXMROGBWSA-N 441.075 5.068 5 40 IKBB CC[C@H](C)CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2s1 13097885 OFINYKBQNZHFPJ-HNNXBMFYSA-N 445.972 6.721 5 40 IKBB Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2 13151247 TZMCZTYSCAZPBT-UHFFFAOYSA-N 435.281 5.100 5 40 IKBB aggregator O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17099741 QQRMSNJRCXXYKG-DHZHZOJOSA-N 435.892 6.177 5 40 IKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Br)cc2)o1 19639698 RJXUTOQPBZDCLC-UHFFFAOYSA-N 444.266 5.479 5 40 IKBB COc1cc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 20140626 VECBAQJGLVGVFX-UHFFFAOYSA-N 448.431 5.176 5 40 IKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)cnc21 4994564 UWOAEFHOSCSODZ-UHFFFAOYSA-N 425.536 5.117 5 40 IKBB CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2Cc1ccccc1Cl 8836060 JXPUIZYQEBEVHU-OAHLLOKOSA-N 445.954 5.530 5 40 IKBB O=C(CCSc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2cnc3ccccc3n2)c1 24522299 DLVLCMZCAGXUEH-UHFFFAOYSA-N 430.489 5.326 5 40 IKBB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 223653005 YVCCOYAZQQCBOO-UHFFFAOYSA-N 448.884 5.158 5 40 IKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(C2CCCCC2)cc1 2355928 VHFGNQPKBRCAOI-UHFFFAOYSA-N 425.488 7.045 5 40 IKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2418646 JAGUKKFEEKKWIW-UHFFFAOYSA-N 425.536 5.201 5 40 IKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4554564 LZXALZJVVLDKIM-QZTVLVCGSA-N 425.554 5.967 5 40 IKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 14272012 BMBVAWNQIZTMAP-UHFFFAOYSA-N 444.299 6.431 5 40 IKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)c1 44087633 NJDCCNHGSICJIP-UHFFFAOYSA-N 439.899 6.532 5 40 IKBB COc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)c1 408618757 GJOKYAVIDAARDJ-UHFFFAOYSA-N 449.846 6.540 5 40 IKBB CCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2073865 PBMJITBUBSCIPZ-HXUWFJFHSA-N 437.525 5.622 5 40 IKBB CCCC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9243752 KWUACOBJXKBTOG-UHFFFAOYSA-N 446.938 6.138 5 40 IKBB O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc3ccccc3c12 15277023 HGMURRJJEUAEAN-UHFFFAOYSA-N 434.278 7.320 5 40 IKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19630695 RSZGBGBPHBLETM-UHFFFAOYSA-N 439.880 5.542 5 40 IKBB Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409177294 CSEZQPGQTDVEIT-UHFFFAOYSA-N 434.448 5.158 5 40 IKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1 2307719 NJTLCHOEOKBVRN-NDENLUEZSA-N 434.835 5.172 5 40 IKBB O=[N+]([O-])c1cccc(-c2ccc(/C=C/c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)c1 3260368 DXEFIXYEWIAQPD-SDNWHVSQSA-N 435.439 6.742 5 40 IKBB O=C(CCCc1nc2ccccc2s1)OCc1cc(=O)oc2ccc3ccccc3c12 3355041 LNDWOSJKNJGPLS-UHFFFAOYSA-N 429.497 5.622 5 40 IKBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 16768117 OCPPUUSFATZHNQ-UHFFFAOYSA-N 441.715 5.336 5 40 IKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 32127785 WZLIBOIPDOWZBC-UHFFFAOYSA-N 443.846 6.462 5 40 IKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F 409052519 IFTXYAUIFJPOBK-UHFFFAOYSA-N 437.427 5.916 5 40 IKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 2067431 VCJCRSZXFBYRNY-UHFFFAOYSA-N 446.419 5.489 5 40 IKBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)c1 2354930 ONAZCIVBPVURQX-UHFFFAOYSA-N 439.519 5.106 5 40 IKBB CC(C)c1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 3285820 ASEMLQODNCRNHO-UHFFFAOYSA-N 431.517 5.710 5 40 IKBB O=C(c1ccccc1)N1c2ccccc2N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 8451923 HBAHQTCWTSXOMU-HHHXNRCGSA-N 447.494 6.507 5 40 IKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(Cl)cc1 224676751 UWFCGAJXGVAENE-UHFFFAOYSA-N 442.924 6.192 5 40 IKBB CC(C)C(=O)Oc1cn(CCc2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9293118 KIUPCSOOMBCYEO-UHFFFAOYSA-N 440.547 5.765 5 40 IKBB C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11436066 MQZOVEQYQGEZNQ-SECBINFHSA-N 438.349 5.752 5 40 IKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Oc1ccc2oc3c(c2c1)CCCC3 12546962 PGTMIJWLHCZDQY-LBPRGKRZSA-N 448.397 5.645 5 40 IKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccc(F)cc4)c4ccccc34)c1)OCOC2 13074597 NYKQWKSEOMDXDK-UHFFFAOYSA-N 449.463 5.503 5 40 IKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 20183488 VUAKYLFUUQZWCX-UHFFFAOYSA-N 448.404 6.476 5 40 IKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1 214070561 GSKMMANHLONGHY-HYARGMPZSA-N 446.484 5.410 5 40 IKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408822143 LBWWQTWMSDNHAN-UHFFFAOYSA-N 429.501 6.254 5 40 IKBB COc1ccc(Nc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cs2)cc1 2051840 VQPODCJBVXCYNT-UHFFFAOYSA-N 433.489 6.050 5 40 IKBB O=C1c2ccccc2C(=O)N1CCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2201986 VYCIYPCJFPMJTF-UHFFFAOYSA-N 440.890 5.077 5 40 IKBB O=C(c1cccc(OC(F)(F)F)c1)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21 4108410 MLSXUTNIJOMBRS-UHFFFAOYSA-N 430.338 5.446 5 40 IKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc([N+](=O)[O-])o1 4150573 COSLWXWGPOUJPW-UHFFFAOYSA-N 428.198 5.011 5 40 IKBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc(Cl)c2)c1)c1cccc(Cl)c1 13983657 PRBZLDAUTVZQSN-UHFFFAOYSA-N 430.247 5.406 5 40 IKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916295 BGGFPKSPICTJNN-HYARGMPZSA-N 446.484 5.410 5 40 IKBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 16401126 KTFUPAZOYOLGIN-UHFFFAOYSA-N 446.242 5.734 5 40 IKBB O=C(CN(C1=NCCCCC1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 16768621 FJPRJPDRMXEKQW-UHFFFAOYSA-N 430.302 5.019 5 40 IKBB COc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 20140613 LQXSKZAVTAAHKI-UHFFFAOYSA-N 448.431 5.176 5 40 IKBB CCC(C)(C)[C@@H]1C/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3c(C(=O)O)c2C1 33634853 LKXSJHIQNWGUDA-MTMYEVCSSA-N 430.504 6.380 5 40 IKBB COc1cc(C(=O)Nc2cccc3cccnc23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 16043979 SRXIAKOBPSJWNZ-UHFFFAOYSA-N 449.850 5.850 5 40 IKBB Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 16789330 GUBSXCQXHSUMMV-UHFFFAOYSA-N 432.505 5.355 5 40 IKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 19636152 JHWCKTQBDDIQTD-UHFFFAOYSA-N 442.519 5.501 5 40 IKBB