smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#Cc1c(-c2ccc(Cl)cc2)cc2c(c1N)c(=O)oc1ccccc12 1036634 VYRRXADYKNRWOP-UHFFFAOYSA-N 346.773 4.720 30 40 EJEB CN(CC#Cc1ccccc1)CCCCCCN(C)Cc1ccccc1 2299086 KQFXCUWXXAASQI-UHFFFAOYSA-N 348.534 4.662 30 40 EJEB C=CCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 14398178 RXBVQWIPLGPQDH-UHFFFAOYSA-N 335.325 4.695 30 40 EJEB C[C@H]1Oc2ccccc2C=C1/C=N/N=C/C1=Cc2ccccc2O[C@@H]1C 27018759 INHNHGUBWMXLHV-IXLXFKMGSA-N 344.414 4.772 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OCC 408534544 VLHDFEXHZCCBEJ-UHFFFAOYSA-N 325.408 4.519 30 40 EJEB Cc1cccc(N(C)/N=C2/C=C(c3ccc4ccccc4c3)OC2=O)c1 408725365 OGZGRJDPZNQYBK-ATJXCDBQSA-N 342.398 4.538 30 40 EJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)s3)S2)cc1C 408964654 FAFXFHOOQQICOU-JYRVWZFOSA-N 348.880 4.910 30 40 EJEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 222580 NLNTWIXHYKFWAG-IBGZPJMESA-N 349.821 4.712 30 40 EJEB CCN(CC)[P+](Oc1ccccc1)(N(CC)CC)N(CC)CC 5004436 BCAREFXZZOGJOJ-UHFFFAOYSA-N 340.472 4.768 30 40 EJEB Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)oc2c(Cl)cccc12 6590518 CTEBYSDITVMGPM-LBPRGKRZSA-N 349.777 4.761 30 40 EJEB CCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182647 KOXIGOMIBVZUGO-ODLFYWEKSA-N 333.387 4.502 30 40 EJEB CCC([C@@H]1[C@@H](c2ccccc2)CC(=O)[C@H](C)[C@H]1c1ccccc1)=[N+](C)C 68603790 OGYBCPZAZLAWFZ-UHVVYFEBSA-N 348.510 4.902 30 40 EJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 216847926 UWPVLJZZVYMBER-UHFFFAOYSA-N 349.213 4.671 30 40 EJEB COc1ccc(/N=C/c2c(O)ccc3ccccc23)c2ncccc12 63404 WDAWHBXZACTWTN-YDZHTSKRSA-N 328.371 4.853 30 40 EJEB CCCCCCCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 2491629 OYCVSLAPQHHOOW-JOCHJYFZSA-N 337.463 4.501 30 40 EJEB Brc1ccccc1/C=N/Nc1nc2ccccc2s1 5161538 KVRAAGIWSHOUFZ-CXUHLZMHSA-N 332.226 4.505 30 40 EJEB Cc1cc(C)cc([C@H](C)/N=C\c2cc(Br)ccc2O)c1 104237680 SZIMQWAWDOGJCK-GJUHEBOISA-N 332.241 4.952 30 40 EJEB Cc1oc(C(C)C)cc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 331389525 DNVYXADSHKGSOJ-MOPGFXCFSA-N 336.435 4.623 30 40 EJEB Cc1cc(/C=N/c2ccc(Cl)cc2Cl)c(O)c([N+](=O)[O-])c1 3153324 WPZJZZYKNBLPFX-REZTVBANSA-N 325.151 4.666 30 40 EJEB Cc1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1 4791653 MIGVENDEEPILJT-VAWYXSNFSA-N 335.428 4.927 30 40 EJEB CS/C(=N\C#N)S/C=C/C(=O)c1ccc(Cl)c(Cl)c1 5515277 VCHUENKJBPAFCS-PIBYZNJNSA-N 331.249 4.623 30 40 EJEB C=CCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC 14398554 IBGASIZYYTXKIQ-UHFFFAOYSA-N 336.218 4.983 30 40 EJEB CN(C)c1ccc(/N=C(\C#CC#Cc2ccccc2)c2ccccc2)cc1 17375685 KVNGGULMYJPBNE-OCEACIFDSA-N 348.449 4.929 30 40 EJEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\O)[C@@]4(C)CC[C@@H]32)C1 118913907 QLSVFSSDFUXCHZ-ZHWLLIPASA-N 345.483 4.711 30 40 EJEB biogenic,in-vitro C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C 118928280 TXNRRTVCPLKVLB-QJUWQVQLSA-N 331.500 4.776 30 40 EJEB CCON=C(CC)C1=C(O)C[C@H](c2c(C)cc(C)cc2C)CC1=O 299847578 DQFPEYARZIQXRM-HNNXBMFYSA-N 329.440 4.673 30 40 EJEB C(=N/NC1=NCCCCC1)\c1cn(Cc2ccccc2)c2ccccc12 3216757 QEEMXQDEHKUGFT-BUVRLJJBSA-N 344.462 4.586 30 40 EJEB Cc1c(C#N)c2ccccn2c1C(=O)c1ccc(Cl)cc1Cl 3260289 ADWDPNGJMMOLJO-UHFFFAOYSA-N 329.186 4.657 30 40 EJEB CCOc1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 6418733 LQNZEHHJHSHWDJ-ZHACJKMWSA-N 346.224 4.656 30 40 EJEB Cc1ccc(/N=C(\c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1 104223443 NYMKKVQAFTWENW-DARPEHSRSA-N 339.394 4.811 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@@]21C 118913194 PGAUJQOPTMSERF-JQMNJMKVSA-N 344.495 4.696 30 40 EJEB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C#N)c1 225680456 YVRAJDAEGCLYNU-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB C=CCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226236065 NVBWWFLBOBOHKU-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O 4632605 ROVGZAWFACYCSP-VUMXUWRFSA-N 328.452 4.558 30 40 EJEB in-man CC/N=C1/S/C(=C\c2cc(C)n(C3CCCC3)c2C)C(=O)N1CC 4694926 WPKPEWYIXYZASY-QLJNEMMGSA-N 345.512 4.532 30 40 EJEB CCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1 13880414 DOLFOBDWABTIOQ-SDXDJHTJSA-N 335.403 4.600 30 40 EJEB CCCN(CCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2 20827551 PDSBADUYBZKSFW-UHFFFAOYSA-N 329.488 4.554 30 40 EJEB CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 28540197 RKQUHHNIJVGMIG-IBGZPJMESA-N 347.499 4.719 30 40 EJEB CCCCCCCOC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 102170310 NOLAFRQEZKFUOV-UWJYYQICSA-N 343.467 4.660 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c1 216260692 CPEANEVIBWLBQB-LJQANCHMSA-N 339.435 4.664 30 40 EJEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(-c2ccccc2)cc1 408931376 KVSUHFHSTALDJV-HKOYGPOVSA-N 342.442 4.941 30 40 EJEB CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409139627 BQZVJVSCOYHSFC-PFRBSUFTSA-N 340.442 4.926 30 40 EJEB CCCCCCOc1ccccc1/C=N/Nc1nc2ccccc2[nH]1 59417070 OZKWAKPUTRECOH-RCCKNPSSSA-N 336.439 4.968 30 40 EJEB N#Cc1cc(N)c(N2CCCCCC2)n1Cc1cccc2ccccc12 225872738 JHHYIHVXIQCOQD-UHFFFAOYSA-N 344.462 4.524 30 40 EJEB Cc1ccccc1C(=O)Nc1cccc(/N=C/c2ccccc2O)c1 223888 MDRXEDGZSKFKEF-HYARGMPZSA-N 330.387 4.704 30 40 EJEB OC(C#Cc1ccccc1)(C#Cc1ccccc1)/C=C/c1ccccc1 1587594 JJQDIWJXVDJXRH-KNTRCKAVSA-N 334.418 4.534 30 40 EJEB CSc1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1 5515317 QNGILZPDWJOAOV-CGOBSMCZSA-N 332.297 4.550 30 40 EJEB CSc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 13639971 NFDOXDFMDSJTPK-IBGZPJMESA-N 349.459 4.636 30 40 EJEB O=[N+]([O-])c1cc(/N=C/c2cccn2-c2ccccc2)ccc1Cl 59248061 QKBFSBHNVSYJRP-XDHOZWIPSA-N 325.755 4.790 30 40 EJEB C=CCOC(=O)c1ccc2nc(-c3cccc(Cl)c3)sc2c1 73635144 BAGDWFGRJVGGFL-UHFFFAOYSA-N 329.808 4.960 30 40 EJEB C/C(=N\O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 100067376 XGTIHTYQJAGVAD-DNTJNYDQSA-N 330.693 4.744 30 40 EJEB O=C1CCCCC/C1=C\Nc1ccc(Br)c(Cl)c1 107598161 GUPPVHUCXCDLOX-MDZDMXLPSA-N 328.637 4.932 30 40 EJEB Cc1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1[N+](=O)[O-] 408953556 MCACFQJZGNXOLF-UFFVCSGVSA-N 349.346 4.995 30 40 EJEB CCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409097311 GGTKFDAXJSXVCN-PXLXIMEGSA-N 338.451 4.617 30 40 EJEB O=C(O)c1cc(/N=C\c2ccc(N3CCCC3)c(F)c2)ccc1Cl 409099551 OIBTVQFTZMNMRQ-NHDPSOOVSA-N 346.789 4.528 30 40 EJEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Cl)s3)S2)c1 408965201 HGKSFTSLMWAYKO-JYRVWZFOSA-N 348.880 4.910 30 40 EJEB C=CCc1cccc(/C=N/c2ccc(Cc3ccncc3)cc2)c1O 578565 KIWBQHIDCIPISB-LFVJCYFKSA-N 328.415 4.857 30 40 EJEB CCCN1CCC(=NNc2c(Cl)cc(Cl)cc2Cl)CC1 4934259 UNMQOTIGSWDOAF-UHFFFAOYSA-N 334.678 4.921 30 40 EJEB CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)CC)cc2)c1O 6050631 JCESRKSZWPKARO-RGVLZGJSSA-N 346.814 4.543 30 40 EJEB COc1ccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)cc1 32714624 ZYYWEBGPRFGCRD-LGMDPLHJSA-N 345.354 4.853 30 40 EJEB N#Cc1ccccc1OCCCC(F)(F)C(F)(F)C(F)(F)F 1565672466 HJEXZTHKLFEAQT-UHFFFAOYSA-N 329.215 4.550 30 40 EJEB CCOc1ccc(/N=C\c2cc(Cl)c(OCC)c(OC)c2)cc1 359557 OOQWGUVWAYDLPO-NDENLUEZSA-N 333.815 4.897 30 40 EJEB C[C@@H](Cc1ccccc1)Nc1ncc2c([nH]c3ccccc32)c1C#N 403658 WQRFOFAMLVLCFL-AWEZNQCLSA-N 326.403 4.631 30 40 EJEB C=C[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846403 DSDGITVLZKIPAY-GDAAHCPNSA-N 328.452 4.676 30 40 EJEB biogenic N#C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)=N1 4735721 ZDCYLRRMEQQFBM-QGZVFWFLSA-N 330.218 4.668 30 40 EJEB CCCCNC(=S)N/N=C(\C)c1ccc(C2CCCCC2)cc1 5446154 ZXTMKRINTXCOMJ-RCCKNPSSSA-N 331.529 4.723 30 40 EJEB C=CCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 8254062 HLDMVNJWVTWDPE-UHFFFAOYSA-N 331.843 4.593 30 40 EJEB CCCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 100012920 IATSXGFPGVFXBE-UHFFFAOYSA-N 326.440 4.870 30 40 EJEB C=CCSc1ccccc1C(=O)NCc1ccc(OC(C)C)cc1 219814698 BCYZYOIERLVRNF-UHFFFAOYSA-N 341.476 4.682 30 40 EJEB Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1ccccc1Cl 225881237 ZHVDIHFFTQNFFY-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB COc1ccc(C/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408961520 MVMAOPZKCLKINU-XKZIYDEJSA-N 349.386 4.581 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2C#N)C1 136987 PPRIFMRXDQBHEM-NSHDSACASA-N 336.416 4.743 30 40 EJEB COc1ccc(N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 479569 OVFVHWVICVJGOX-JOCHJYFZSA-N 344.414 4.951 30 40 EJEB Cc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 1079480 GCELNNYHNLMJAW-SFHVURJKSA-N 349.405 4.662 30 40 EJEB CCCCCCOc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 5695122 QKIXCNPENLKAOC-RCCKNPSSSA-N 336.439 4.968 30 40 EJEB CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccccc3)o2)cc1 8323927 DELYUVFVVQETDG-JLHYYAGUSA-N 345.402 4.727 30 40 EJEB C=C(C)C(=O)OCCCCCCCCCCCC[n+]1ccccc1 34011238 WAGCXCUWLNYZAU-UHFFFAOYSA-N 332.508 4.994 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1cccc(Cl)c1F 44835849 VOUULZSTVSLPKY-REZTVBANSA-N 328.568 4.698 30 40 EJEB C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 82125395 DFRQHISHXQPKMU-GUCLMQHLSA-N 328.496 4.826 30 40 EJEB N#Cc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 96308067 NZLBTYVFYIFMCZ-UHFFFAOYSA-N 325.371 4.681 30 40 EJEB C=CCN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409105755 OJGYQHWLKDYOPT-GHRIWEEISA-N 337.400 4.701 30 40 EJEB Cc1cc(C(=O)O)ccc1N/C=C/C(=O)c1cccc2ccccc12 409179849 OILVCBBDZHNLCA-VAWYXSNFSA-N 331.371 4.655 30 40 EJEB COc1ccccc1/N=C/c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 4739267 CPPIHGLYRSFHQE-CIAFOILYSA-N 335.359 4.712 30 40 EJEB C=CCOc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 4959436 SHVMYTQKYXOYAT-BBTUJRGHSA-N 347.414 4.776 30 40 EJEB Cc1cc(-c2csc(/N=C/N(C)C)n2)c(C)n1-c1ccc(F)cc1 6821255 ZQVQFMFTOAMUER-RGVLZGJSSA-N 342.443 4.578 30 40 EJEB C#CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OCC 6960569 UNXSEXCZKYEAJB-FYJGNVAPSA-N 327.811 4.810 30 40 EJEB Cc1ccc(N/N=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1 59472414 VURVOUFOIJLIDD-GFMRDNFCSA-N 342.398 4.822 30 40 EJEB CCCCCCCSc1cc(C(N)=S)cc(Br)n1 68569542 BDBFXNOXMRWZFF-UHFFFAOYSA-N 347.347 4.541 30 40 EJEB CCOc1cc(Br)c(/C=N/c2ccc(C)cc2)cc1OC 101601610 BOPDQXGDFBHCGG-YBFXNURJSA-N 348.240 4.915 30 40 EJEB CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(F)cc1 102594412 RUYQTEPDSJGJFJ-HIXSDJFHSA-N 344.393 4.535 30 40 EJEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)OCO3)c1 3166522 XHINRJZXBATHJG-UHFFFAOYSA-N 338.407 4.505 30 40 EJEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 4832380 HTMPIGNDXNPKJN-GORDUTHDSA-N 335.186 4.661 30 40 EJEB CO/N=C1\C[C@@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 34240870 ICICCNLECZQTRT-XBWRSUJGSA-N 343.430 4.743 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)CO5 118936611 QVWIWZCMRRDQQC-JHDMHPMHSA-N 346.511 4.730 30 40 EJEB C/C(=N\OC(=O)c1cccs1)c1sc(-c2ccccc2)nc1C 4050417 MLLADFQZCUYNQI-XDHOZWIPSA-N 342.445 4.761 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1OC(C)C 12825633 UVBIKOLYSNUTQF-VOTSOKGWSA-N 334.799 4.933 30 40 EJEB Fc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1-c1ccccc1 100503020 WOEYQBUTVGYDLU-UHFFFAOYSA-N 348.168 4.684 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2ccc(C)c(C)c2)cc1OC 409117596 LIWSMZHTCAZTME-UHFFFAOYSA-N 335.447 4.665 30 40 EJEB Cc1cccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc12 410793 IBELQTLEPCIACK-UHFFFAOYSA-N 336.391 4.529 30 40 EJEB Cc1noc(/C=C/c2ccc(/C=N/c3ccccc3)cc2)c1[N+](=O)[O-] 1395602 VCRCURMJXHPADA-IUTFFREVSA-N 333.347 4.812 30 40 EJEB Cc1n[nH]c(NC2=CC(=O)CC(C)(C)C2)c1-c1ccc(Cl)cc1 4386450 TXACQQLOEHDYPV-UHFFFAOYSA-N 329.831 4.723 30 40 EJEB CCCN(OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)C 18192193 DIXOAPTVROUTHS-UHFFFAOYSA-N 349.214 4.714 30 40 EJEB C/C(=N/NC(=S)Nc1ccc(C)cc1C)c1ccc(Cl)cc1 38198713 OTPQMUPNVWBHEM-MOSHPQCFSA-N 331.872 4.667 30 40 EJEB O=[N+]([O-])c1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1Cl 409086908 HXVMINLSAYBGAQ-RGVLZGJSSA-N 347.777 4.738 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1O 409095089 BHUWXJXKXRBOJS-DEDYPNTBSA-N 334.331 4.843 30 40 EJEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1 409266232 PISYLZZPTIBPBF-KGENOOAVSA-N 347.374 4.620 30 40 EJEB O=C1CCCC2=C1[C@@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 128677 LERPWBLFAPTXOQ-RCDICMHDSA-N 330.431 4.892 30 40 EJEB O=C1CCCC2=C1[C@@H](c1ccccc1F)c1c(ccc3ncccc13)N2 4624743 URNOCWRHFLXXPE-NRFANRHFSA-N 344.389 4.938 30 40 EJEB O=C(O)c1cc(/N=C/c2ccc(N3CCCCC3)cc2)ccc1Cl 5898945 YXPYLLMUXSRTOJ-FYJGNVAPSA-N 342.826 4.779 30 40 EJEB N#Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1 5938385 IXLWSYHTIUELOV-UHFFFAOYSA-N 345.383 4.680 30 40 EJEB COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 6641263 RZUKGOGGEZIDAM-XBXARRHUSA-N 337.202 4.907 30 40 EJEB CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccc(C#N)cc1 75610363 RJMLNHCUHGAPOZ-LJQANCHMSA-N 340.854 4.564 30 40 EJEB Cc1cc(Br)c(O)c(/C=N/c2cc(Cl)ccc2O)c1 103753986 COMOADLCDWOFKF-REZTVBANSA-N 340.604 4.573 30 40 EJEB Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Br)cn1 103808924 LGWRBVZRBCAYKL-BNCCVWRVSA-N 346.011 4.607 30 40 EJEB COc1cccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408963503 ZTLFUAINCKKERK-CIAFOILYSA-N 335.359 4.712 30 40 EJEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Oc2ccc(F)cc2)c1 952990479 ZWCSCWDXLDHVHH-HDICACEKSA-N 337.394 4.941 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)/C(=N/O)CC[C@@H]32)C1 1857795295 QLSVFSSDFUXCHZ-QAEVBIFBSA-N 345.483 4.711 30 40 EJEB O=[N+]([O-])c1cc(/N=C/C(Br)=C/c2ccccc2)ccc1F 4978779 KPXOGMBMBARLDL-DVHDXZMDSA-N 349.159 4.872 30 40 EJEB O=C(/C(=C/c1ccncc1)c1nc2ccccc2o1)c1ccccc1 6269528 IOVKXBOFSCCQPV-VKAVYKQESA-N 326.355 4.646 30 40 EJEB COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N=C2C 7496383 FTKZVSLKVWVHGP-CQSZACIVSA-N 332.403 4.614 30 40 EJEB O=[N+]([O-])c1ccccc1/N=C(/c1ccccc1)N(O)c1ccccc1 16954919 OZHSEPVISXWMJG-VXPUYCOJSA-N 333.347 4.569 30 40 EJEB N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 55329130 DNROQLDGTCRVCZ-UHFFFAOYSA-N 329.787 4.667 30 40 EJEB Cc1ccc(F)c(/N=C2\NN=C(c3cc4ccccc4o3)CS2)c1 63311579 FOCODAGTPCCKBQ-UHFFFAOYSA-N 339.395 4.609 30 40 EJEB CCOC(=O)c1cccc(-c2ccc(/C=N/Nc3ccccc3)o2)c1 113861338 PDQGQTPBCQCXGU-KGENOOAVSA-N 334.375 4.569 30 40 EJEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225803025 BITQCNZGEAVGEA-FOIQADDNSA-N 346.471 4.659 30 40 EJEB CCc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 409093011 YLILHLRYCXAYBB-VAWYXSNFSA-N 330.225 4.820 30 40 EJEB N#Cc1ccc(-c2ccccc2)nc1S[C@@H](C(=O)O)c1ccccc1 154676 DGTYVSCNPDMFQA-GOSISDBHSA-N 346.411 4.538 30 40 EJEB CCOP(=O)(N=C(Nc1ccccc1)Nc1ccccc1)OCC 1572986 NWIMJXSJACBFJE-UHFFFAOYSA-N 347.355 4.748 30 40 EJEB C=CCn1c(SCc2cccc(C)c2)nnc1-c1cccs1 14062612 QSBOVEPFYKYACA-UHFFFAOYSA-N 327.478 4.793 30 40 EJEB Cc1ccc2nc(N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 226096259 FBXDLOUSOSNCAN-CAOOACKPSA-N 346.799 4.612 30 40 EJEB O=C1/C(=C/c2ccc(O)cc2)CC[C@H]1CNc1ccc(Cl)cc1 1625959 KRNGWPMSMWJZKZ-GOFCXVBSSA-N 327.811 4.520 30 40 EJEB N#CCOc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 6625615 VFXPAPSXNKGUPT-CMDGGOBGSA-N 332.186 4.792 30 40 EJEB Cc1cccc(Nc2nnc(SCc3ccccc3C#N)s2)c1 6814826 DDVWPFQRKLSASA-UHFFFAOYSA-N 338.461 4.754 30 40 EJEB Cc1sc(NC(=O)c2cccc(SC(C)C)c2)c(C#N)c1C 10253313 BAEUCEBYGBGOBJ-UHFFFAOYSA-N 330.478 4.989 30 40 EJEB C[C@H]1c2cccn2CCN1Cc1ccc(-c2ccccc2C#N)cc1 14198607 VGYOGKUDHINEII-KRWDZBQOSA-N 327.431 4.604 30 40 EJEB C=CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1OC 20763423 CIWGDQWKUVBVAA-LFVJCYFKSA-N 346.430 4.537 30 40 EJEB C#CCN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCCCC1 57994351 LXQIYMVLXJZGGF-UHFFFAOYSA-N 328.214 4.541 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3C 118923411 SFECWQWNBHMGCT-YLYJJUNFSA-N 344.495 4.696 30 40 EJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1Cl 8084367 WYJAKJPTKAZRKH-UFWORHAWSA-N 343.692 4.713 30 40 EJEB CSc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 8238333 VJRWIOWEOJNYJW-WOJGMQOQSA-N 325.462 4.978 30 40 EJEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(F)cc2)S1 8277539 FOWQPOMJOBAWOT-OQLLNIDSSA-N 346.814 4.679 30 40 EJEB O=[N+]([O-])c1cc(/N=C\c2c(O)ccc3ccccc23)ccc1Cl 100248272 FGFHERPSWDBIPZ-GRSHGNNSSA-N 326.739 4.858 30 40 EJEB Cc1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)c1 408592237 LWPMYSSLIVFWFH-FYJGNVAPSA-N 349.390 4.553 30 40 EJEB CCOc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@@H](C)CC3(C)C)cc1 1411140 AIARKZGOCSLINZ-UAHNYKDTSA-N 348.446 4.839 30 40 EJEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N\C1CCCCC1 5247571 VQLBRHPMILDSMI-DARPEHSRSA-N 348.446 4.717 30 40 EJEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1O 8367810 ZYRILMGTPPWASS-GIJQJNRQSA-N 334.213 4.531 30 40 EJEB CN(C)CCC(/C=C/c1ccccc1)=N/Nc1ccc(Cl)cc1 17196980 NOAIKPVHFBLNNL-GZEUCYSHSA-N 327.859 4.773 30 40 EJEB N#C[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2F)cc1 64220269 WEHVYOPCJBDJAK-LJQANCHMSA-N 333.337 4.851 30 40 EJEB CCCCCCCCCCS(=O)(=O)Nc1cccc(C(C)=O)c1 100959442 RPBFBPANFNTKFK-UHFFFAOYSA-N 339.501 4.772 30 40 EJEB Cc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 408858281 RJQQTSDNBIXRKD-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CCOc1cc(/C=N\O)ccc1OCc1ccc(Cl)cc1Cl 100250361 RAAWWSJKHKLFRK-OCKHKDLRSA-N 340.206 4.779 30 40 EJEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1F 409053612 NPJKUBCAKPPYST-FXBPSFAMSA-N 339.391 4.691 30 40 EJEB Cc1nc2sccn2c1/C=N/N(Cc1ccccc1)c1ccccc1 5071833 BMWKCXGQTDIJHL-KGENOOAVSA-N 346.459 4.745 30 40 EJEB CCCCN1C(=O)/C(=N\c2cccc3cnccc23)c2ccccc21 12476151 LXYJKUAYBDRLPC-ATJXCDBQSA-N 329.403 4.502 30 40 EJEB CCCCCCC(=C/c1ccccc1)/C=N/Nc1nc(=O)cc(C)[nH]1 17379131 KHNIKCNDILKBAA-IVUDTHCKSA-N 338.455 4.530 30 40 EJEB CC(C)c1ccc2c(c1)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)N2 223730539 MFHXHGJZQJTXAC-UHFFFAOYSA-N 347.340 4.597 30 40 EJEB CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1cc(C)ccc1C 408907856 PKTLRIDTDJMCEU-BIXZQSIESA-N 336.460 4.927 30 40 EJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1C 408909976 HZWNDVNSCIEWLE-CUNGHOPLSA-N 340.423 4.622 30 40 EJEB CCNc1ccccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1=O 4667379 VQYDOONYRPWYBI-BQYQJAHWSA-N 348.229 4.682 30 40 EJEB O=C1CCCC2=C1[C@@H](c1cccs1)c1c(ccc3ncccc13)N2 13564301 JWBFFKYVPKDSHN-FQEVSTJZSA-N 332.428 4.861 30 40 EJEB N#Cc1ccc(Oc2ccc(NC(=O)c3ccc[nH]c3=S)cc2)cc1 70840823 FZOXQJVMEAFVEO-UHFFFAOYSA-N 347.399 4.660 30 40 EJEB Cc1ccccc1C1=NOC(=O)/C1=C\c1ccc(Cl)cc1Cl 101662667 RFUDBZFTXCJQQT-ZSOIEALJSA-N 332.186 4.646 30 40 EJEB Cc1ccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 6315113 NBLRVRMPXULHPB-QLYXXIJNSA-N 340.430 4.930 30 40 EJEB Cc1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C#N)c1C 9142087 IMLZIRLRTJKMQN-UHFFFAOYSA-N 342.464 4.552 30 40 EJEB N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH]c1=O 9318902 JHGNBLHUEHRKFO-UHFFFAOYSA-N 341.197 4.887 30 40 EJEB C=CCCCCCCC#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O 35464335 CADCSTMAPXTITJ-AABGKKOBSA-N 334.500 4.779 30 40 EJEB biogenic,in-vitro CCCCCCc1ccccc1[C@H](O)CC#CCCCC(=O)OC 83433956 FNBRCMZPPJUPTO-HXUWFJFHSA-N 330.468 4.580 30 40 EJEB N#Cc1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCCC2 996130 HZTVMUPFFFOFAU-GZBFAFLISA-N 328.481 4.653 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1cccs1 5376779 MDCUIKGCFFWBMD-LFIBNONCSA-N 336.441 4.793 30 40 EJEB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 6066705 JYYRDDFNMDZIIP-HQJDTPGISA-N 328.496 4.970 30 40 EJEB biogenic,in-vitro CCCCCCCCCCCC(=O)N(CC)[C@@H](C)C(=O)OCC 100921895 IKCHKZQJYUAPPP-KRWDZBQOSA-N 327.509 4.707 30 40 EJEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(OC)cc1 409110008 PIMZIYWIXHEKJK-UHFFFAOYSA-N 336.218 4.626 30 40 EJEB CCCCCCOc1ccccc1/C=C1\N=C(SC)SC1=O 2073707 ULAVIBYRGZOFPC-OWBHPGMISA-N 335.494 4.979 30 40 EJEB CCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(C)cc2)cc1 2290620 PRTQRJRJTYPAFD-HMMYKYKNSA-N 349.430 4.909 30 40 EJEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C 3294878 MAWCEAKXSZWIRR-UHFFFAOYSA-N 342.489 4.876 30 40 EJEB CCCCN/C(=N/c1ccccc1)NCc1cccc(C(F)(F)F)c1 13143261 ZLXVPWOJUYRELC-UHFFFAOYSA-N 349.400 4.872 30 40 EJEB O=C(/C=N/c1ccccc1)c1ccc(C(=O)/C=N/c2ccccc2)cc1 13402909 FSJLCRBAPVCMPV-DFEHQXHXSA-N 340.382 4.857 30 40 EJEB CCOc1ccc(-c2nc(N)c(C#N)c(-c3cccs3)c2C)cc1C 15080778 FKUQIIRPZNOJAS-UHFFFAOYSA-N 349.459 4.947 30 40 EJEB Cc1ccc(/C=C(/C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 95959904 ZQPSABHFJCHEGB-AQTBWJFISA-N 340.382 4.955 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)c1 225485555 KKWMZLQLWMRJQR-LJQANCHMSA-N 340.492 4.998 30 40 EJEB CCCCc1c(C)c2ccc3oc(/C(C)=N/O)c(C)c3c2oc1=O 4665005 WBOPKJWHMXHCKJ-UDWIEESQSA-N 327.380 4.697 30 40 EJEB CCCC/C(=N/NC(=S)Nc1cccc(C)c1)c1ccccc1 12403842 ZGNJPWABIORJIS-UZYVYHOESA-N 325.481 4.876 30 40 EJEB Oc1c(/C=N/c2ccc(Br)cn2)sc2ccccc12 16511425 VMMXCXWCYZAOIE-CAOOACKPSA-N 333.210 4.515 30 40 EJEB C=CCCCCCCC#CCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@@H]1O 35464338 CADCSTMAPXTITJ-UFYCRDLUSA-N 334.500 4.779 30 40 EJEB biogenic,in-vitro CCN(CC)c1cc(-c2ccccc2)c(C#N)c2nc3ccccc3n12 36646021 DBKOZZGXQVTNBS-UHFFFAOYSA-N 340.430 4.872 30 40 EJEB COc1ccc(/N=C2\c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 102096090 POYVRXKSUUEESG-SSRRSSPNSA-N 327.383 4.796 30 40 EJEB CCCC(=O)C1=C(NCc2ccccc2)C[C@H](c2ccccc2)CC1=O 102174977 VPSVLRKVNJPNHL-IBGZPJMESA-N 347.458 4.546 30 40 EJEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\NC(N)=S 245241795 OXZJZRQUDLKMGF-QNIQNFGOSA-N 347.572 4.608 30 40 EJEB CCn1c2ccccc2c2cc(/C=N/c3ccccc3C(N)=O)ccc21 298013 VKIWOYRKQHMVLR-ZVHZXABRSA-N 341.414 4.664 30 40 EJEB CCCCCCc1ccc(-c2csc(NC(=O)CC#N)n2)cc1 3887029 UJOYETBRRMXPGI-UHFFFAOYSA-N 327.453 4.785 30 40 EJEB CC(C)(C)C1CCC(=N/N=C2\NC(=O)[C@H](c3ccccc3)S2)CC1 6692895 PJAGFFUIQQQRNS-WMCAAGNKSA-N 343.496 4.539 30 40 EJEB Cc1ccc(F)cc1N/C=C/C(=O)c1ccc(Br)cc1 44843497 CPGKVDSGJKWQGN-CMDGGOBGSA-N 334.188 4.705 30 40 EJEB CCCCCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 101004809 SJANBTVRLKMKLU-SSZFMOIBSA-N 349.521 4.954 30 40 EJEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OC 409203079 UNTMMSBKPVTGPZ-VXLYETTFSA-N 348.240 4.834 30 40 EJEB C=CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@@H]21 2578382 WCIRIGFPEWGCHY-VWKPWSFCSA-N 347.414 4.776 30 40 EJEB CCCCCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1OC 4539029 OHIPEFSLMZCKGI-WUXMJOGZSA-N 340.419 4.866 30 40 EJEB CCC/C(=N\NC(=S)Nc1cc(C)ccc1C)c1ccccc1 4871828 OVVWJFASZFRDDA-HEHNFIMWSA-N 325.481 4.794 30 40 EJEB COc1ccc2c(c1)CC/C(=C/c1ccccc1OC(F)F)C2=O 6432010 WPSKDXKWJLFGPA-UVTDQMKNSA-N 330.330 4.509 30 40 EJEB O=C1/C(=N\Nc2ccccc2Cl)c2ccccc2N1c1ccccc1 100322652 KRPIUUMZVDVZEF-NMWGTECJSA-N 347.805 4.835 30 40 EJEB CC(C)c1ccc(CSc2nnc(S[C@@H](C)C#N)s2)cc1 6000052 UGEVSZAODOMNAJ-NSHDSACASA-N 335.523 4.958 30 40 EJEB C/C(=N\OCc1ccccc1)c1sc2nc(C)nc(C)c2c1C 98054398 KXEPHCUSPMRELR-FYJGNVAPSA-N 325.437 4.557 30 40 EJEB CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)c(C)c1 225710444 DUALXNTUSKOSAG-LJQANCHMSA-N 337.492 4.807 30 40 EJEB N#Cc1cc(F)ccc1CSc1nccn1-c1cccc(Cl)c1 1640816089 AOASJEGETPBIHF-UHFFFAOYSA-N 343.814 4.829 30 40 EJEB N#Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 1518506 WYVUGSWBKADIGJ-UHFFFAOYSA-N 339.807 4.587 30 40 EJEB CCCCCCc1cc(/C(Cc2ccccc2)=N/O)c(O)cc1O 5418465 XBBWUZGBPJTJCA-DYTRJAOYSA-N 327.424 4.642 30 40 EJEB COc1ccc(C(=O)/C=C\C(C)=C\C=N/N(C)c2ccccc2)cc1 17064587 HLGJHYSFBLPOSI-AGAHQUMOSA-N 334.419 4.503 30 40 EJEB N#CC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 79064613 LNPBFPWYXGAYIV-CQSZACIVSA-N 334.206 4.770 30 40 EJEB O=C(Nc1ccccc1)C(/N=N\c1ccccc1)=N\Nc1ccccc1 104038074 ZMMDZQUCKKVTPX-FYVWFZHESA-N 343.390 4.835 30 40 EJEB CC1(C)OB(c2ccc3c(c2)Sc2ccccc2S3)OC1(C)C 203638397 IBSZNMPVNLFFAT-UHFFFAOYSA-N 342.294 4.602 30 40 EJEB C=CCOc1cccc(NC(=O)c2ccccc2SCC=C)c1 219808122 UVAZGUUISONQCG-UHFFFAOYSA-N 325.433 4.782 30 40 EJEB C/C(CC(C)C)=N\Nc1nc(-c2cc3ccccc3oc2=O)cs1 195151 MFXLZKIOQXMLDL-UDWIEESQSA-N 341.436 4.750 30 40 EJEB CCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1 3067436 WPECLVIIPOSPQJ-UHFFFAOYSA-N 325.518 4.804 30 40 EJEB CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)OC3=CC(=O)C(O)=CC3=C[C@H]21 3874817 LOCMLXSTDCXZFJ-RMVXJAJNSA-N 328.452 4.853 30 40 EJEB Cc1ccnc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 4671203 ICOGCMZILUBVSU-WSDLNYQXSA-N 340.471 4.532 30 40 EJEB CCOc1ccccc1/C=N/Nc1ccnc2cc(Cl)ccc12 4871865 NVPPTZFFKQWCQS-CIAFOILYSA-N 325.799 4.733 30 40 EJEB COc1cc(/C(C)=N/Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 4921773 UQFMEMNOCXQREF-UDWIEESQSA-N 348.830 4.510 30 40 EJEB CCOc1ccc(/N=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 6962165 GHPMPUQJZVNMGU-UDWIEESQSA-N 333.815 4.897 30 40 EJEB CC(=O)/C(=N\Nc1ccccc1)C(c1ccccc1)c1ccccc1 17286523 DRXXEOAQCCZXBF-ZNTNEXAZSA-N 328.415 4.876 30 40 EJEB CSC(=N\c1ccccc1)/N=C(\SCc1ccccc1)N(C)C 18178718 ZSMIAGRBYIUYAJ-CLFAGFIQSA-N 343.521 4.888 30 40 EJEB CC(C)Cn1ccc2cc(NC(=O)c3ccnc(N=[N+]=[N-])c3)ccc21 108518676 VIDAWQFMCKZXKN-UHFFFAOYSA-N 334.383 4.886 30 40 EJEB C/C(=N\NCc1ccccc1Cl)c1ccc(Br)cc1 408710702 WFQGLMLCBRAWGW-YBFXNURJSA-N 337.648 4.616 30 40 EJEB C=C(Br)CCc1c(F)cc(Br)cc1F 1848444245 FMOVZEUUOWNFJW-UHFFFAOYSA-N 325.978 4.569 30 40 EJEB CC(C)n1ncc2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 9051244 BHECBULUERGKLT-SFHVURJKSA-N 335.451 4.665 30 40 EJEB Cc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)s1 15016294 LQGTWZFMXRSHKT-JYRVWZFOSA-N 334.853 4.602 30 40 EJEB N#CCc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 15029415 DPQZHPJTRKBNND-UHFFFAOYSA-N 342.398 4.584 30 40 EJEB CC(=O)Nc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 18181568 ZQBMECFEYIYYFZ-OEAKJJBVSA-N 326.399 4.967 30 40 EJEB CC[C@H]1C=CC(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)=CC1 256055806 VAWOPEKUMPFYAO-BRYHAGSVSA-N 338.476 4.950 30 40 EJEB COc1cccc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C#N)c1 5263692 FGZHMTLUOPSVDS-AWEZNQCLSA-N 335.432 4.552 30 40 EJEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 44842645 AYCQUARWZALXTM-ONEGZZNKSA-N 336.174 4.531 30 40 EJEB CC1(C)CC(=O)C(=CNc2ccc(Cl)cc2C(F)(F)F)C(=O)C1 100863537 RQUDRGAVYUDWBA-UHFFFAOYSA-N 345.748 4.613 30 40 EJEB CC(C)(CCC#N)CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 557984394 CGSZPLFBCZCRBE-HUUCEWRRSA-N 339.266 4.543 30 40 EJEB COc1ccc(/C=C/C(=O)C2CC2)cc1COc1cccc(C)c1C 193603 UVZFNHFQQFFSQV-YRNVUSSQSA-N 336.431 4.883 30 40 EJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1 221448 BYDAXOOMFAPPET-RGVLZGJSSA-N 332.315 4.950 30 40 EJEB COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccc(C(C)(C)C)cc1 5293217 RZDXTZBLTHMYDB-ZBJSNUHESA-N 337.419 4.500 30 40 EJEB COc1ccc2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)ccc2c1 9449151 ZEYQUFCDPUZNTB-UHFFFAOYSA-N 336.778 4.626 30 40 EJEB CN(C)CCC(/C=C\c1ccccc1)=N\Nc1ccc(Cl)cc1 31830004 NOAIKPVHFBLNNL-ZVYQJQOSSA-N 327.859 4.773 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c1 44880265 OQLQHLZILPGTAK-IBGZPJMESA-N 339.435 4.664 30 40 EJEB N#C[C@@H](C1=NC=CC[C@H]1C(F)(F)F)c1cccc(C(F)(F)F)c1 95921858 MCLQCZOGSQKPGN-VXGBXAGGSA-N 332.247 4.849 30 40 EJEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C)cc1 408909746 IALJVSSAHKLCKU-VEEFLNGCSA-N 334.444 4.785 30 40 EJEB N#Cc1cccc(NC(=S)Nc2ccc(SC(F)F)cc2)c1 3334739 GHETUKIXPCSTAF-UHFFFAOYSA-N 335.404 4.682 30 40 EJEB CC/C(C)=N\N=c1/[nH]c2cc(C)c(NC(=O)CC(C)C)c(C)c2s1 72228552 OFZZEUUNPPNGGN-MTJSOVHGSA-N 346.500 4.517 30 40 EJEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(C)cc1Br 409358695 LEEMPCKGQZEEMO-PKNBQFBNSA-N 334.213 4.858 30 40 EJEB CC1=C(C/C=C(\C)[C@H](O)C#C[C@]2(C)C=COCCO2)C(C)(C)CCC1 95611842 VPXQWWCWFOYTAT-VXUQKMRPSA-N 344.495 4.533 30 40 EJEB CCCCCCCCCCCCS[C@H](CC(=O)OC)C(=O)OC 100311711 BCKUJRNQZDMSPN-MRXNPFEDSA-N 346.533 4.745 30 40 EJEB CCOP(=O)(OCC)ON=C(c1ccccc1)c1ccccc1 1719917 FZQGNOOBPUGXOM-UHFFFAOYSA-N 333.324 4.637 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 8040793 TXBHQNAGIPQCAF-UHFFFAOYSA-N 346.224 4.575 30 40 EJEB CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 9422730 ULAYTVTWUIGKMX-SECBINFHSA-N 328.403 4.845 30 40 EJEB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC#N)nnc1-c1cccs1 103985421 ALSGGNUKGLWMQE-RFGFWPKPSA-N 344.509 4.619 30 40 EJEB CCCCCn1nc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N 225836518 AVIFLURQFZVDJJ-UHFFFAOYSA-N 340.471 4.538 30 40 EJEB COc1cc2c(cc1/C=N\c1ccc(Nc3ccccc3)cc1)OCO2 409072137 IPWYKGFQBZGCNN-XKZIYDEJSA-N 346.386 4.918 30 40 EJEB CCOP(=O)(OCC)O/N=C(/C)c1ccccc1C(F)(F)F 5575817 WTADLMTZAQZFNJ-YVLHZVERSA-N 339.250 4.627 30 40 EJEB O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc21 5603375 SWWTWUUMGPKPTF-UHFFFAOYSA-N 340.378 4.728 30 40 EJEB COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCC#N 8321237 KJRKUWZCYJEJQM-XVNBXDOJSA-N 340.766 4.563 30 40 EJEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc(Cl)c(Cl)c1 13879010 GXEBNZMJMCVSMT-VXLYETTFSA-N 344.311 4.514 30 40 EJEB Cc1cccc(N/N=C(\C#N)c2nc(-c3ccccc3)cs2)c1C 33739230 XITGAKGGRXGMFG-HAVVHWLPSA-N 332.432 4.767 30 40 EJEB C=C1CCC[C@@]2(C)[C@H]1C[C@@H](C(=C)C(=O)O)C[C@H]2OC(=O)C[C@@H](C)CC 49180770 QVSFEOQJKPOOHP-LSJRZNPGSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro C[C@@H](Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1)C(=O)O 59248984 FIFJOAKCJFZMFP-DWOMLUCJSA-N 338.190 4.596 30 40 EJEB CCCCCCCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 102934075 AIGJYWVRCWMMAK-UHFFFAOYSA-N 344.377 4.963 30 40 EJEB N#Cc1ccc(COC(=O)c2cc3c(s2)CCCCCC3)cc1 15554580 XFVONLWJKWZDKC-UHFFFAOYSA-N 325.433 4.636 30 40 EJEB CC(C)(C)/C(O)=N/c1c(NC2CCCC2)c2ccccc2oc1=O 20313005 JDCWHCVOZOQWNM-UHFFFAOYSA-N 328.412 4.782 30 40 EJEB C#CCOc1ccc(Br)cc1CNc1cc(C)ccc1C 41641185 USJYOFHFJQBXGW-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB CC(C)c1ccc(O)c(/N=C/c2cc(Br)ccc2O)c1 95482083 LJWFAEWIHQLOCU-GIJQJNRQSA-N 334.213 4.734 30 40 EJEB CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](c4cccnc4)C3)c2c1 563054285 WIISYHYAOWRVSV-GOSISDBHSA-N 342.446 4.619 30 40 EJEB O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1ccccn1 1465041 GUDZMQARCYDBIY-LPYMAVHISA-N 336.778 4.705 30 40 EJEB COc1cccc(/C=N/N=C(c2ccccc2)c2ccccc2)c1OC 3225873 QPIIQUMCDCSCFJ-XQNSMLJCSA-N 344.414 4.575 30 40 EJEB COC(=O)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 6637988 NZMCDDFORMHOFP-RUDMXATFSA-N 335.186 4.676 30 40 EJEB CCCCC(=O)Nc1c(C)cc2[nH]/c(=N\N=C(\C)CC)sc2c1C 72228553 PSMOHIXVWOTWBG-MTJSOVHGSA-N 346.500 4.662 30 40 EJEB Oc1ccc(Cl)cc1/C=N/c1ccc(F)cc1Br 100037406 LUSUJIHFPCUPLW-REZTVBANSA-N 328.568 4.698 30 40 EJEB Cn1nc(-c2ccccc2)c(/C=N/O)c1Sc1ccc(Cl)cc1 100271483 LJKODGDDYGBECZ-YBFXNURJSA-N 343.839 4.700 30 40 EJEB FC1(F)C(F)(F)[C@](F)(Cl)[C@](F)(Cl)C(F)(F)[C@@]1(F)Cl 100475542 NOLOAYRMLAKXDE-LAMMAJBHSA-N 349.407 4.620 30 40 EJEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)cc1C#N 225802952 QOGNGJNCILEMMD-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB Cn1c(Cl)c(/C=N/OC(=O)c2cccc(Cl)c2)c2ccccc21 4051487 ORKYITWDIBNNKL-KEBDBYFISA-N 347.201 4.676 30 40 EJEB CCCCOc1ccc([C@@H]2C=COC3=C2CCCC3=O)cc1OC 5792940 CXVSCBOMPWJSJG-HNNXBMFYSA-N 328.408 4.509 30 40 EJEB C#CCOc1ccc(/C=N/c2ccccc2C)cc1Br 8570860 LSPPSDNZYLRBKI-XDHOZWIPSA-N 328.209 4.520 30 40 EJEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCCc1ccccc1 20446610 BWXYLFZMIFPDER-DHZHZOJOSA-N 333.366 4.510 30 40 EJEB CCOc1ccc(C(=O)c2ccccc2)c(-c2ccc(C#N)cc2)c1 26897449 NSIUTTPCSQPJSU-UHFFFAOYSA-N 327.383 4.855 30 40 EJEB COc1cc(C(=O)/C=C/c2ccccc2OC2CCCC2)ccc1O 63277138 SQCAOASLULPDQO-ZRDIBKRKSA-N 338.403 4.618 30 40 EJEB N#Cc1c(N/C=C2/Sc3ccccc3C2=O)sc2c1CCCC2 100877440 GIJJXRGWPZRGGY-MHWRWJLKSA-N 338.457 4.740 30 40 EJEB N#CCc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408608518 NWDPOGCIGMDRGU-UHFFFAOYSA-N 326.355 4.904 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 351185 UYOHMTBFVHUORY-JTQLQIEISA-N 330.840 4.650 30 40 EJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OCCC#N)CC[C@@H]12 6268716 SKZOMAZQGJCCKH-FXTUREPZSA-N 339.479 4.850 30 40 EJEB CCOc1cccc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 48299329 ZOIDJUSVRJFREJ-BUHFOSPRSA-N 346.430 4.784 30 40 EJEB O=C(O)COc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl 96479993 SNDKKJAOAQHXIW-NHDPSOOVSA-N 339.778 4.707 30 40 EJEB CC(C)N1C(=O)/C(=N/Nc2ccc(Cl)c(Cl)c2)c2ccccc21 100322661 GFSWIGNYERLCAF-LTGZKZEYSA-N 348.233 4.565 30 40 EJEB C=CCc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OC 224127258 MPPRZXZAFZEMAA-UHFFFAOYSA-N 343.426 4.928 30 40 EJEB CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N/c1ccc(F)cc1 409233150 RANYWLNIZMXRIX-FGVWYHQHSA-N 344.386 4.589 30 40 EJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C)cc3)nc1-2 208835 HBJINGKZXLJDLA-CIAFOILYSA-N 334.444 4.976 30 40 EJEB C=CCn1c(SCCCC)nc2sc3c(c2c1=O)C[C@H](C)CC3 2229765 HGXPICYSSVRZAZ-GFCCVEGCSA-N 348.537 4.661 30 40 EJEB CCCCCCCCCCCCCCO[C@H]1CCS(=O)(=O)C1 100838913 UDWUIJXUMODKHQ-SFHVURJKSA-N 332.550 4.891 30 40 EJEB C=CCn1c(-c2ccccc2)csc1=Nc1ccc(C(C)=O)cc1 254842529 MLGOFVZFPCUZHU-UHFFFAOYSA-N 334.444 4.838 30 40 EJEB CC(C)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409044636 OMVRFPXZGQAIQT-YXSASFKJSA-N 330.247 4.524 30 40 EJEB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC(C)(C)C#N 579983932 DKQDIDYSRXCWAD-UHFFFAOYSA-N 344.462 4.521 30 40 EJEB Nc1ccc(F)c(F)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250443 NGISHEAGGYMARV-UHFFFAOYSA-N 325.183 4.636 30 40 EJEB CCc1ccc(O)c(/N=C/c2cc(C)c(C)c(Br)c2O)c1 225360 VPAJSFYLJLGEGZ-DJKKODMXSA-N 348.240 4.790 30 40 EJEB CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCCC2)c1O 554614 JIGBPAYRIGWJSC-FYJGNVAPSA-N 344.842 4.795 30 40 EJEB N#Cc1cc2c(cc1C#N)N(c1ccccc1)C(=O)c1ccccc1O2 1432818 OJTUZMUTQZRRSH-UHFFFAOYSA-N 337.338 4.514 30 40 EJEB C=CCn1c(SCc2ccccc2F)nnc1-c1ccccc1 2449428 WJIUZUXOOFVPGT-UHFFFAOYSA-N 325.412 4.563 30 40 EJEB O=C1C=C(c2ccccc2)C[C@H](c2ccc(Br)cc2)C1 4784192 SORBLNXFXQCLRW-INIZCTEOSA-N 327.221 4.979 30 40 EJEB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5763280 QETBTXOVEBTJQH-WAMTXRNCSA-N 344.495 4.855 30 40 EJEB in-vitro Cc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C)cc1 19807865 NQNOUNZRISKNFT-CXDOZEDNSA-N 347.443 4.710 30 40 EJEB N#CCCSc1ccccc1NC(=O)c1ccccc1OC(F)F 69571537 OXMRIISRZOYAQZ-UHFFFAOYSA-N 348.374 4.546 30 40 EJEB C=CC[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccncc1 71909249 NCCNMNLFSDIGGL-MRXNPFEDSA-N 348.406 4.539 30 40 EJEB CC1(C)COc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2OC1 225371584 UALWVTYVHQLENY-WEVVVXLNSA-N 326.367 4.519 30 40 EJEB C[C@@H]1C[C@H](/C(O)=N/[C@H](COc2ccccc2F)C(C)(C)C)CCC1=O 328990197 SBKUZQVTYIWBPS-HBUWYVDXSA-N 349.446 4.581 30 40 EJEB C=CCOc1ccc2ccccc2c1CNc1cccc([N+](=O)[O-])c1 408554316 CIGFPMPSXLWJKQ-UHFFFAOYSA-N 334.375 4.925 30 40 EJEB N#Cc1c(-c2ccc3[nH]c4ccccc4c3c2)c2c([nH]c1=N)CCCC2 408978306 HYUWDBHHEKWYHA-UHFFFAOYSA-N 338.414 4.546 30 40 EJEB COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)c1 411738 KMRFXPMAEQSKEQ-KIHMUJGBSA-N 340.448 4.512 30 40 EJEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(F)cc1)CC2 4170435 BQKJBAPBSRNLCQ-UHFFFAOYSA-N 342.377 4.501 30 40 EJEB COc1ccc(/C=N/CCC23CC4CC(CC(C4)C2)C3)c(OC)c1 4981416 QCVNMBWERVTAKW-HYARGMPZSA-N 327.468 4.729 30 40 EJEB C=CCn1c(C)cc(-c2csc(NC(=O)C3CCCC3)n2)c1C 6288155 WDEQAQHQJUEDEO-UHFFFAOYSA-N 329.469 4.543 30 40 EJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 118917757 YGMDGLJSAVHRSV-ATXQXWCPSA-N 344.495 4.696 30 40 EJEB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225843807 NRXRLFUCOJXXJH-MGPUTAFESA-N 346.471 4.659 30 40 EJEB N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCC2 483558 JBVJVNXBRXNNFC-CMDGGOBGSA-N 328.462 4.602 30 40 EJEB C#CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 3772580 PBHIXPHIIJAGQA-UHFFFAOYSA-N 337.806 4.807 30 40 EJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)s1 7741667 AQUBPXJNARBLDZ-DUXPYHPUSA-N 328.176 4.859 30 40 EJEB COc1cc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)ccc1O 13773696 OHJNZTDKPNLKQP-LPYMAVHISA-N 343.386 4.695 30 40 EJEB CCOC(=O)c1ccccc1N/C=C1\C[C@H](C(C)(C)CC)CCC1=O 408563462 MITRUPGYCKYJGF-UTZKEFOASA-N 343.467 4.965 30 40 EJEB Cc1ccc(C(=O)Nc2c(C#N)[nH]c3sc4c(c23)CCCC4)cc1 194046 MTCVLASTHBNYRY-UHFFFAOYSA-N 335.432 4.541 30 40 EJEB CCCCCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1 4159053 GRFZIVFSIRMWKU-RCCKNPSSSA-N 340.423 4.790 30 40 EJEB Cc1nc2c(c3[nH]c4ccccc4c13)/C(=N/NC(C)C)CC(C)(C)C2 12657156 PSLXJTTUSWCHCD-KOEQRZSOSA-N 334.467 4.699 30 40 EJEB biogenic O=C(/C=C\C1=C(N2CCCCC2)Cc2ccccc21)c1ccccc1 33376568 JFHWRRJQZRMKEI-YPKPFQOOSA-N 329.443 4.879 30 40 EJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1 36354838 AKKWMZJBXZYHCU-MRXNPFEDSA-N 348.793 4.521 30 40 EJEB FC(F)(F)c1cc(Cl)c(N/N=C/c2ccccn2)c(Cl)c1 66088690 NFSCCGVTVFTSLG-IFRROFPPSA-N 334.128 4.853 30 40 EJEB O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccccc1)c1cccc([N+](=O)[O-])c1-2 104180878 JTNAFCBVVDDGHM-VXPUYCOJSA-N 345.314 4.653 30 40 EJEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216814322 MJSAPQKOOZYALH-UHFFFAOYSA-N 337.202 4.915 30 40 EJEB C(=N/c1ccc2c(c1)OCCO2)\c1ccc(OCc2ccccc2)cc1 62195 ORCKNJZAGDASQB-HZHRSRAPSA-N 345.398 4.787 30 40 EJEB Cc1cc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 177406 NMNXVJNQGYDJPM-NSHDSACASA-N 338.476 4.922 30 40 EJEB O=[N+]([O-])c1cccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)c1 1951024 ARZXNFGCSZPMSA-CJLVFECKSA-N 326.355 4.745 30 40 EJEB COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br 12371077 IDNNDNUFRWFUMO-DHDCSXOGSA-N 347.233 4.787 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C(C)=O)cc2)cc1 44843008 BNSSYWAQXXAGES-BUHFOSPRSA-N 337.419 4.877 30 40 EJEB O=C(O)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 100444310 XXVUNQINXPOGAT-YDZHTSKRSA-N 342.398 4.656 30 40 EJEB CCCCCCCCCCc1c(C)nc(N2CCC(C)CC2)[nH]c1=O 102241490 GSRZSVBVKYEYQL-UHFFFAOYSA-N 347.547 4.998 30 40 EJEB CCCCCCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1 102446235 AHKJWXZAVWNLNJ-DTQAZKPQSA-N 349.521 4.915 30 40 EJEB Cc1oc(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C#N)c1C 409142911 FKZPXMVGKXOTRR-KEBDBYFISA-N 335.319 4.687 30 40 EJEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(C)cc1 2450208 SDXRTOFROYBSGG-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB C/C(=N\OC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C)cc1 5745320 LBIWYPXMAVHVGE-HZHRSRAPSA-N 346.386 4.956 30 40 EJEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(F)cc3)c3cc(C)cc1c32 12406258 DEAZYYRFSMMYGF-PTGBLXJZSA-N 334.394 4.797 30 40 EJEB O=C(/C=C/C(=N\Nc1ccccc1)c1ccccc1)c1ccccc1 17720414 FYTQJBOKKJMFPY-RMQXSIKLSA-N 326.399 4.942 30 40 EJEB CCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1 33350390 VRNYFWPSRRSINH-SILNSSARSA-N 349.430 4.990 30 40 EJEB CC/C(=N/NC(=S)Nc1ccc(C)c(C)c1)c1ccc(F)cc1 35203335 GSZGZDFNGWROSM-FXBPSFAMSA-N 329.444 4.543 30 40 EJEB C[C@H](C#N)Oc1ccc(CNc2cccc(-c3nccs3)c2)cc1 89368648 NBUPXHLCXUHZEF-CQSZACIVSA-N 335.432 4.713 30 40 EJEB Cc1ccc2nc(N/N=C/c3c(O)ccc4ccccc34)sc2c1 226096139 YLUMZQCIHVQIDW-RGVLZGJSSA-N 333.416 4.910 30 40 EJEB Cc1cccc(/N=C\c2cc(Br)c(Br)o2)c1 408858349 YKXIOQHXMIHMGC-CHHVJCJISA-N 343.018 4.864 30 40 EJEB CCOC(=O)c1ccc(/N=C/c2cc(Cl)ccc2OCC)cc1 409098916 MRUCZSHZTPNSQC-UDWIEESQSA-N 331.799 4.666 30 40 EJEB CCOC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CCCC2 4702537 ZUOXRICMDUIPNT-RGVLZGJSSA-N 343.448 4.568 30 40 EJEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409092573 XBUBRTMIXIXGJZ-FSJBWODESA-N 344.340 4.646 30 40 EJEB Cc1nn(C(C)(C)C)c2c1[C@@H](c1cccs1)C1=C(CCCC1=O)N2 4979913 IAOQGOMQXBOUED-QGZVFWFLSA-N 341.480 4.573 30 40 EJEB CSc1nc(-c2ccccc2)c(C#N)c(N(C)C2CCCCC2)n1 7995284 LHMANTGIRGOFNW-UHFFFAOYSA-N 338.480 4.506 30 40 EJEB COc1cc(OC)c(N/C(S)=N\c2cccc(C)c2)cc1Cl 8684929 QMDJIJUFLGJONY-UHFFFAOYSA-N 336.844 4.695 30 40 EJEB N#Cc1ccc(F)c(CN[C@@H](Cc2ccccc2)c2ccccc2)c1 32901353 RSUGHJKOMOHXLA-QFIPXVFZSA-N 330.406 4.771 30 40 EJEB CC(C)c1nc(C#N)c(NCc2ccc(-c3ccc(F)cc3)o2)o1 526052311 XEGBPZUAUKMBKP-UHFFFAOYSA-N 325.343 4.681 30 40 EJEB COc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 437249 NWMFUSIWUUINBS-OEAKJJBVSA-N 328.415 4.966 30 40 EJEB C[C@H](C#N)Sc1nn(-c2ccc(Cl)c(Cl)c2)c(=S)s1 2635956 UHDVUANCZBPMIB-ZCFIWIBFSA-N 348.305 4.974 30 40 EJEB Cc1ccc(/N=C2\SCCCN2C(=O)c2ccco2)cc1Cl 12537676 TVJYOPHOOJTYEJ-VLGSPTGOSA-N 334.828 4.508 30 40 EJEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(C)cc3)c3c(C)ccc1c32 14671554 FVDCXZAINCFVON-FCDQGJHFSA-N 330.431 4.966 30 40 EJEB N#Cc1ccc(-c2cccnc2)nc1SCc1ccccc1Cl 1476213 CTGSJYQFDHCELB-UHFFFAOYSA-N 337.835 4.961 30 40 EJEB CC/N=c1\scc(-c2ccc(C)cc2)n1/N=C(\C)c1ccc(C)o1 6378035 JOCWPNFFVVKIRQ-DISXUMGHSA-N 339.464 4.619 30 40 EJEB Cc1cc(C(=O)/C=C/Nc2ccc(Br)cc2)c(C)s1 100112213 RHHRHFCYVSDIAP-BQYQJAHWSA-N 336.254 4.936 30 40 EJEB N#Cc1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCCC2 100545151 HZTVMUPFFFOFAU-UMVBOHGHSA-N 328.481 4.653 30 40 EJEB COc1cc(OC)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 6646925 LYOAGJJZKCKKQL-VMPITWQZSA-N 337.202 4.907 30 40 EJEB C/C(=N\c1ccc(Br)cc1Br)OCC(C)C 17377300 OJIMEAINBRTCNA-OQLLNIDSSA-N 349.066 4.934 30 40 EJEB C=CCN(C(=O)Cc1ccccc1Cl)[C@@H]1CCc2ccccc21 36393580 XSQZHIRPYRTHBU-LJQANCHMSA-N 325.839 4.585 30 40 EJEB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c(C#N)c1 225820566 YFFCJGQLDBMALZ-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB CC1(C)CC[C@@H]2C[C@H](/N=C(/O)CCc3cnccn3)c3cccc1c32 330017748 RQOXQXQOLQCLRQ-KDOFPFPSSA-N 335.451 4.666 30 40 EJEB CN(C)c1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1 502483 ZXZQTARWSNFUBH-LPYMAVHISA-N 334.419 4.834 30 40 EJEB CCCCOc1ccc(C(=O)N2CCC[C@@]2(C#N)c2ccccc2)cc1 2274346 RLXLGXYUOXVBDS-JOCHJYFZSA-N 348.446 4.521 30 40 EJEB C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(C)cc1 5477968 UDPORIRDWQYTCC-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cc(F)ccc1O 7853540 DQDQLYVMCJBGEQ-UFFVCSGVSA-N 329.762 4.569 30 40 EJEB CN(C)CCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)cc1 8653106 NOAIKPVHFBLNNL-DMXIMQHBSA-N 327.859 4.773 30 40 EJEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)cc1 20226935 DVHZEDUXCZLXTA-WOJGMQOQSA-N 347.443 4.622 30 40 EJEB N#Cc1c(CSc2ncc(-c3ccc(F)cc3)[nH]2)cn2ccccc12 25148774 ZFUBGTUZAWOXLX-UHFFFAOYSA-N 348.406 4.632 30 40 EJEB C=CCn1c(SCc2cccs2)nnc1-c1cccc(C)c1 32604349 SWEFZMIULXTIBO-UHFFFAOYSA-N 327.478 4.793 30 40 EJEB C=CCn1c(-c2ccccc2)nn(CNc2ccc(C)cc2)c1=S 59484583 FKKUCIOSUTZEHK-UHFFFAOYSA-N 336.464 4.645 30 40 EJEB COc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 101091497 QIXKFBLGOZLKFU-UHFFFAOYSA-N 327.383 4.872 30 40 EJEB CCCC(NC(C)(C)C)=C1C(=O)CC(C[C@H](C)SCC)CC1=O 104424030 BACGTIXCOQFXED-LSLKUGRBSA-N 339.545 4.509 30 40 EJEB CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@H]12 118932954 HMVLGFGCMLJNDB-JDQAEWLXSA-N 330.512 4.761 30 40 EJEB O=C1CCCC2=C1[C@@H](c1ccncc1)Nc1ccc3ccccc3c12 408829958 XVDRGBMVAUSFLF-JOCHJYFZSA-N 326.399 4.908 30 40 EJEB CCCCc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409148174 XMYACAHONPYYAL-XQNSMLJCSA-N 340.442 4.756 30 40 EJEB CC(C)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 442607 MQWXEMBNOSTOSC-GZTJUZNOSA-N 340.423 4.841 30 40 EJEB C=CCCCCCCCCC(=O)Nc1nnc(SCC)s1 4659167 SRYCNQYRODIFNE-UHFFFAOYSA-N 327.519 4.895 30 40 EJEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl 6048596 UVTHAWCWSABBOE-ORCRQEGFSA-N 335.186 4.661 30 40 EJEB CC(C)Oc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1 10118997 HUTGNRMDCYRIDM-SRZZPIQSSA-N 337.250 4.904 30 40 EJEB CCOc1cc(C#N)cc(Br)c1OCc1ccc(C)cc1 11960468 BWBZHQQLTNYZHU-UHFFFAOYSA-N 346.224 4.607 30 40 EJEB O=C1c2ccccc2-c2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc21 18066385 LKXHTHLQRIALFQ-MTJSOVHGSA-N 328.327 4.557 30 40 EJEB O=C(/C=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1O 33374162 KPEOHUHJHWKEQL-KAMYIIQDSA-N 330.383 4.867 30 40 EJEB Cn1/c(=N/N=C2\C=C3CCCC[C@@]3(C)CC2)sc2ccccc21 33917180 IUZHEHZKBGVLLY-JBZPVMOFSA-N 325.481 4.797 30 40 EJEB C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 60512702 KUYOUNYHPGYHPT-UHFFFAOYSA-N 347.867 4.777 30 40 EJEB CC(C)COc1ccc(/C=N/Nc2ccccc2)cc1Br 408605240 XTKUZERVGULENS-YBFXNURJSA-N 347.256 4.930 30 40 EJEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1ccccc1 408806662 GGVWPCIQULAQMO-UCQKPKSFSA-N 348.377 4.594 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2cc(C)ccc2C)cc1OC 409119245 RTAIHTQUYIRIAJ-UHFFFAOYSA-N 335.447 4.665 30 40 EJEB CC(C)(C)c1ccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1 409133524 UKHHTURMSLFCDP-HAHDFKILSA-N 340.442 4.710 30 40 EJEB Fc1ccc(N/N=C/c2ccc(OCc3ccccc3)cc2)c(F)c1 4919145 FZLGQJMJYSBSRD-YDZHTSKRSA-N 338.357 4.990 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2ccc(Cl)c(Cl)c2)nc1 6297167 KHFBVOAWNZGMHG-CGOBSMCZSA-N 334.128 4.853 30 40 EJEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223231078 BCLQXZIAQPZXTR-OAHLLOKOSA-N 337.488 4.944 30 40 EJEB CCCCc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13471631 JBLYTERERKDYNI-UHFFFAOYSA-N 349.478 4.759 30 40 EJEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)s3)S2)cc1 17167449 MJGMNUKIOHTRGE-LCYFTJDESA-N 348.880 4.856 30 40 EJEB COc1ccc(-c2nc(CO/N=C/c3ccccc3Cl)co2)cc1 22841829 UDGROEZKMHIZIZ-KEBDBYFISA-N 342.782 4.554 30 40 EJEB COC(=O)/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C 90512588 VTSFDGSDUILKPM-ZSWLYNKHSA-N 328.452 4.870 30 40 EJEB COC(=O)c1ccc(Cl)c(/N=C\c2c(C)n(C)c3ccccc23)c1 408849041 UCOMHBZKFFZSHF-NHDPSOOVSA-N 340.810 4.677 30 40 EJEB CSc1ccc(/C=C/c2c(C#N)c(=O)oc3ccc(C)cc23)cc1 1016435 JAMFHWMYUYASFO-RMKNXTFCSA-N 333.412 4.865 30 40 EJEB COc1ccc(CCN=C(c2ccccc2)c2ccccc2)cc1OC 1557568 BOSDEYKUXPKEOB-UHFFFAOYSA-N 345.442 4.784 30 40 EJEB CCN(CC)c1ccc(/C=N/Nc2ccc(C)c(Cl)c2)c(O)c1 4867096 PXKVHKUOIIIBQK-UDWIEESQSA-N 331.847 4.646 30 40 EJEB CN(C)N=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)S1 8399270 WPBWOGUKPAAFEA-SAQCZPFTSA-N 340.477 4.759 30 40 EJEB C=CCn1ncc(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C 12228150 WUTRAXCCTJLVGB-NRFANRHFSA-N 335.495 4.537 30 40 EJEB Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccco3)cc2)c1 15906594 VXTQMPIZUMQZOU-VAWYXSNFSA-N 331.371 4.736 30 40 EJEB CC(/C=C\c1ccccc1)=N/Nc1c(F)c(F)c(F)c(F)c1F 17107693 IQKGWRNUKUWVDU-FTMTXEPNSA-N 326.268 4.883 30 40 EJEB O/C(CC1CCOCC1)=N\c1nc2ccccc2n1C1CCCC1 76933659 LFUUSZKYGYHXPO-UHFFFAOYSA-N 327.428 4.556 30 40 EJEB Cc1cccc(C(C)C)c1NC(=O)N(CCC#N)CCC(F)(F)F 79072154 HGHGTKDYKMZGEU-UHFFFAOYSA-N 341.377 4.818 30 40 EJEB CCNc1ccccc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1=O 4667375 ILJUUQOXEQAQMW-ZHACJKMWSA-N 348.229 4.682 30 40 EJEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5254703 NPCMKQMIUHMXEM-PXNMLYILSA-N 349.169 4.535 30 40 EJEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2Cl)S1 8416138 BJBTUTKPPANVKO-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB Fc1ccc(/N=C2\NC3(CCCCC3)Cc3ccccc32)cc1F 12360530 SMUNWMADSHAIPF-UHFFFAOYSA-N 326.390 4.892 30 40 EJEB CC(=O)C1=CC[C@H]2[C@@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 80519908 PIPYBRMLUCOTFE-VHJGLBCBSA-N 328.496 4.826 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc4c(c3)OCO4)c2C)c1 408761269 DOEQEGIXLZWYBH-UUYOSTAYSA-N 332.403 4.882 30 40 EJEB COc1cccc(/C=N\c2ccccc2Br)c1OC(C)C 409017417 ZOQQCIIPDNKKQD-ODLFYWEKSA-N 348.240 4.996 30 40 EJEB Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(Cl)c1 219026 IZCBBTPAKDALBH-REZTVBANSA-N 325.151 4.666 30 40 EJEB Cc1ccc(C(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 422307 RHJKNTNBLHDMKM-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB Brc1ccccc1C#Cc1ccccc1Br 1597669 RVGSIXSCGKMAOK-UHFFFAOYSA-N 336.026 4.611 30 40 EJEB in-vitro Cc1ccc(-c2nnc(S[C@H](C)C#N)nc2-c2ccc(C)cc2)cc1 3343464 XBAMTYYBMPQWCA-OAHLLOKOSA-N 346.459 4.827 30 40 EJEB CC(C)CC(=O)O/N=C/c1ccc(Sc2ccc(Cl)cc2)nc1 5284500 YPJJKFFHOQIJLO-RGVLZGJSSA-N 348.855 4.809 30 40 EJEB Cc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 13625954 XRPSEXAGUNCQIE-WQRHYEAKSA-N 336.387 4.563 30 40 EJEB Cc1ccc(-c2noc(SCC#Cc3ccc(Cl)cc3)n2)cc1 25185569 XMKDNNRAGFCDAS-UHFFFAOYSA-N 340.835 4.842 30 40 EJEB C(=N\Nc1c2ccccc2nc2ccccc12)\c1ccc2c(c1)OCO2 31672196 METGKBQCCAPKBM-UUYOSTAYSA-N 341.370 4.563 30 40 EJEB CCCCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OC 96767427 MALOFZYWZSUKJQ-VBKFSLOCSA-N 338.403 4.533 30 40 EJEB Oc1ccc(Br)cc1/C=N\c1cccc(C(F)(F)F)c1 100315290 HZEUNSTWVBILMM-UWVJOHFNSA-N 344.130 4.924 30 40 EJEB CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccc(C)cc1 408910356 KGJMRAZKUYGFCE-BDYZYUDZSA-N 342.489 4.989 30 40 EJEB Oc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)cc1 94588 GYVCSDJZLBRLNA-KEBDBYFISA-N 337.766 4.704 30 40 EJEB N#Cc1c(NC(=O)c2cccnc2Cl)sc2c1CCCCCC2 2737714 OFFYVUYOHWEBPR-UHFFFAOYSA-N 345.855 4.579 30 40 EJEB N#C[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@H]21 5694070 LRFWRFJDCUXCJN-FPOVZHCZSA-N 345.471 4.673 30 40 EJEB Cc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1C 6205552 USPFKFDWNHICTP-RQZCQDPDSA-N 333.185 4.725 30 40 EJEB C[C@@H](C=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13759936 XVPJEGGIGJLDQK-IJDPAOOOSA-N 328.496 4.970 30 40 EJEB COc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 4551705 XVXUJTNCLVHZSI-FYJGNVAPSA-N 337.448 4.963 30 40 EJEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(ccc3ncccc13)N2 4930324 PGAJBYMUKCCHKI-HXUWFJFHSA-N 344.389 4.938 30 40 EJEB COc1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 5808016 GFYGTFXMFBVZNV-UHFFFAOYSA-N 342.394 4.844 30 40 EJEB Cc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 6500867 KMQOTMCKCKOKEC-KEBDBYFISA-N 348.284 4.851 30 40 EJEB C/C(=C\C(=O)c1ccccc1)Nc1c(N)sc2nc(C)cc(C)c12 12446537 JFEVWVQUJGKALJ-JLHYYAGUSA-N 337.448 4.694 30 40 EJEB Oc1ccc(Cl)cc1/C=N\N=C1c2ccccc2-c2ccccc21 13513027 GSDHGVOQOPPMQU-UUYOSTAYSA-N 332.790 4.898 30 40 EJEB N#Cc1c(C2CCCCC2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846663 FBAZFALGPBRMBT-UHFFFAOYSA-N 349.265 4.740 30 40 EJEB C=CCn1c(Sc2ccccc2[N+](=O)[O-])nnc1C1CCCCC1 3339818 FJBNGIGKFSLVJL-UHFFFAOYSA-N 344.440 4.571 30 40 EJEB Cc1c(Cc2ccccc2Cl)c(O)n2c(nc3ccccc32)c1C#N 5721413 MZUBGHOJXOVYNV-UHFFFAOYSA-N 347.805 4.617 30 40 EJEB CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 36834931 XXYANOHPUSGUAE-VQHVLOKHSA-N 348.855 4.828 30 40 EJEB COc1ccc(OC)c(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 71976953 WZIGEIHRLNUULB-XVNBXDOJSA-N 337.202 4.907 30 40 EJEB Cc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408748577 FMEUUNPLANWKPH-OQLLNIDSSA-N 328.824 4.540 30 40 EJEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408774659 MUMSQVAWPJXHCB-BKUYFWCQSA-N 349.390 4.553 30 40 EJEB COC(=O)c1cccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)c1 408954070 MYEWSWUXGKYXPD-SSDVNMTOSA-N 348.358 4.565 30 40 EJEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc(C)cc1 409074003 PDGXRNJXGDKKTM-FYJGNVAPSA-N 325.408 4.509 30 40 EJEB CCOc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1OC 409238574 LDHHXSIHAVPZGC-JWGURIENSA-N 338.451 4.835 30 40 EJEB CCc1c(C)sc(NC(=O)c2cccc(Br)c2)c1C#N 483827 ULSNOOVJMGGRHY-UHFFFAOYSA-N 349.253 4.505 30 40 EJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(N(C)C)cc1 502601 NEYQMAPLPHEKAK-FYJGNVAPSA-N 338.842 4.651 30 40 EJEB C(=N/Nc1nnc(Cc2ccccc2)c2ccccc12)\c1ccccc1 4765090 SETSCFKBQYGCHX-XQNSMLJCSA-N 338.414 4.667 30 40 EJEB N#Cc1ccc(Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)nc1 32907711 JNMWJMXPNPWJJS-UHFFFAOYSA-N 340.338 4.519 30 40 EJEB Clc1cc(/C=N\Nc2ccc(Br)cc2)cc(Cl)n1 33376839 JMWMZELLQWQVEN-APSNUPSMSA-N 345.027 4.597 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 226783378 BOCPYEVSFQPKIT-UKTHLTGXSA-N 345.398 4.703 30 40 EJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(C#N)cc2)o1 1097122 ZOGWEPABQIFDFF-WSDLNYQXSA-N 330.343 4.576 30 40 EJEB O=[N+]([O-])c1cc(-c2ccc(/C=N/Nc3ccccc3)o2)ccc1Cl 4190750 HHNSGYKAVOSLNF-YBFXNURJSA-N 341.754 4.954 30 40 EJEB C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OCC 107974753 BWCCCPSSUJFAPD-UHFFFAOYSA-N 345.826 4.864 30 40 EJEB COc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 136640096 ALAVCOZCLVZGKS-UHFFFAOYSA-N 326.158 4.620 30 40 EJEB CCCCCCCCNC(=S)Nc1ccc2nc(C)c(C)nc2c1 408734966 HUDUGDPYBFVYRY-UHFFFAOYSA-N 344.528 4.894 30 40 EJEB O=C(CO/N=C/c1ccccc1)N1c2ccccc2Oc2ccccc21 4154837 KUVMEHMOSGVAAH-HYARGMPZSA-N 344.370 4.508 30 40 EJEB Cc1ccc(SCCC(=O)Nc2sc(C)c(C)c2C#N)cc1 4570338 MQOAIIISWUVMPD-UHFFFAOYSA-N 330.478 4.666 30 40 EJEB C/C(=N\NC(=S)Nc1cc(C)ccc1C)c1ccc(C)c(C)c1 4871698 CDBOZRJACYSQCW-LTGZKZEYSA-N 325.481 4.631 30 40 EJEB N#Cc1c(NC(=O)CCCSc2ccccc2)sc2c1CCC2 10217821 VTAZKPULQDEYJG-UHFFFAOYSA-N 342.489 4.619 30 40 EJEB COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(S)c1C#N 13424482 HZLXHDOUNGKLAZ-UHFFFAOYSA-N 332.428 4.893 30 40 EJEB CCCCCCCCCCCC(=O)N(CC)[C@H](C)C(=O)OCC 100921896 IKCHKZQJYUAPPP-QGZVFWFLSA-N 327.509 4.707 30 40 EJEB CN(C)c1ccc(/C=N\c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 104322086 VRPLRUBUDZKINE-QPHMKDBKSA-N 328.415 4.565 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1 408765694 XGIVKQSFGCBSOU-LPYMAVHISA-N 332.403 4.851 30 40 EJEB N#Cc1cccnc1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1 40106958 BPBJYVKLYYZDPP-UHFFFAOYSA-N 349.777 4.651 30 40 EJEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408779519 XPBZJGHYZHMBDP-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB FC(F)(F)c1cccc(C/N=C\c2cccn2-c2nccs2)c1 4072845 RGGOVGSRCCILMK-JAIQZWGSSA-N 335.354 4.572 30 40 EJEB C=CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102685415 XBRKGSLFKFPCSA-PFONDFGASA-N 344.414 4.621 30 40 EJEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCCC 409110074 QWACWWQYZMGLIO-UHFFFAOYSA-N 341.451 4.833 30 40 EJEB N#Cc1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 118584 MAMYLEOQCCQORR-UHFFFAOYSA-N 344.417 4.737 30 40 EJEB CCn1c(/C=N/c2nc3cc(C)c(C)cc3n2CC)nc2ccccc21 349473 CUWGABBDSOEHCL-LPYMAVHISA-N 345.450 4.793 30 40 EJEB N#Cc1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCC2 996359 VOCZEQDEGDUZOQ-DHZHZOJOSA-N 340.423 4.680 30 40 EJEB N#Cc1cc2c(=O)c3ccccc3oc2nc1-c1ccc(Cl)cc1 6585711 HBJVFWMEJRHYKM-UHFFFAOYSA-N 332.746 4.533 30 40 EJEB COc1cc(Br)c(/C=N/c2ccc(C)cc2C)cc1OC 8368531 OPXXRXWFSNNGEZ-VXLYETTFSA-N 348.240 4.834 30 40 EJEB C[C@H](C#N)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 8711043 IYURREFXYQSMDX-MRVPVSSYSA-N 339.367 4.705 30 40 EJEB N#Cc1ccsc1NC(=O)CCCSc1ccc(Cl)cc1 10218172 NRQAWNRTUGZDBH-UHFFFAOYSA-N 336.869 4.784 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1 20460552 UKQIXGCBIKHRKZ-FQEVSTJZSA-N 339.435 4.664 30 40 EJEB CCC(=O)Nc1ccc(/N=C/c2ccc(Br)cc2)cc1 100171134 VFLORWMDGQEHTH-WOJGMQOQSA-N 331.213 4.548 30 40 EJEB C=CCc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OC 408740264 ATYPNNUXBLMISR-CPNJWEJPSA-N 332.399 4.713 30 40 EJEB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C1 133296 SILUSGJNEZFCDK-MARXPDLDSA-N 336.460 4.787 30 40 EJEB N#Cc1ccc(CSc2ncccc2-c2nc3ccccc3[nH]2)cc1 1329086 KYHCKRNHRKSLSX-UHFFFAOYSA-N 342.427 4.789 30 40 EJEB C=CCN(C(=S)Nc1ccc(OC(F)F)cc1)c1ccccc1 6784611 SGLJUJFBHOMCAN-UHFFFAOYSA-N 334.391 4.677 30 40 EJEB Cc1cccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c1 9419476 QKUKZDOIJAUWHP-WQRHYEAKSA-N 336.387 4.563 30 40 EJEB CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O 34966922 NMIRKZWCHKQRAV-HZMYXVCSSA-N 325.839 4.591 30 40 EJEB C/C(=N\c1ccc(Br)cc1)c1cc2ccccc2oc1=O 68601513 HUILAPVHQYKBQT-YBFXNURJSA-N 342.192 4.696 30 40 EJEB FC(F)(F)c1ccc(C=Nn2c(-c3ccccc3)n[nH]c2=S)cc1 254567502 UAQXKCYELPNUHJ-UHFFFAOYSA-N 348.353 4.509 30 40 EJEB CCOC(=O)c1cccc(/N=C\c2cc(Cl)ccc2OCC)c1 409097947 OJMJJWIRYNVFGX-NDENLUEZSA-N 331.799 4.666 30 40 EJEB C=C1C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 2049238403 PUCXZBGPUPYKFE-OUAXMAOMSA-N 342.479 4.616 30 40 EJEB CCc1c(C)nc2c(Br)cccc2c1SCCC#N 2339233 VYVDAGILFVOBKB-UHFFFAOYSA-N 335.270 4.874 30 40 EJEB CCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(O)c1 4925076 HBHFPSTTXJCBPP-XQNSMLJCSA-N 346.430 4.832 30 40 EJEB CCCCN(CCCC)c1nc(CC)c2c(c1C#N)CC(C)(C)OC2 13564295 ZUJLLJGDLABPJE-UHFFFAOYSA-N 343.515 4.774 30 40 EJEB CCOC(=O)c1c(N=[N+]=[N-])nnc(-c2ccccc2)c1-c1ccccc1 16682993 TZESKCAYRPYXKT-UHFFFAOYSA-N 345.362 4.929 30 40 EJEB C=CCn1c(SCc2ccccc2F)nnc1-c1cccs1 17068113 SORFKFNMGSPJFA-UHFFFAOYSA-N 331.441 4.624 30 40 EJEB C=CC[C@@](O)(c1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 27242204 OJCUFKWOJKXXPD-XZOQPEGZSA-N 335.491 4.720 30 40 EJEB COc1ccc2ccccc2c1/C=N\Nc1ccc(C(F)(F)F)cn1 33405970 DPYIEHCDLNAACN-KSEXSDGBSA-N 345.324 4.708 30 40 EJEB C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(F)cc1Cl 69588921 UKAFRADHCNGEOH-LLVKDONJSA-N 348.830 4.983 30 40 EJEB O=C1C=Cc2ccccc2/C1=C\Nc1ccc(OC(F)(F)F)cc1 100946486 WRAIRJSFOXWDPP-LFIBNONCSA-N 331.293 4.634 30 40 EJEB O=C(/C=C/c1ccco1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 13013668 ULEGWCXQJUALAS-OUKQBFOZSA-N 341.366 4.684 30 40 EJEB CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 20929254 WOZNDRYNJWTXRL-LTGZKZEYSA-N 325.799 4.820 30 40 EJEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccccc2C)c1 225885188 CEXVCCAGMMNNPG-UHFFFAOYSA-N 331.419 4.708 30 40 EJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2OC)C1 408563611 QCCFMMDUCSIQQI-XTZCOPOCSA-N 346.427 4.705 30 40 EJEB O=C(O)c1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 50194 MHNQCOSCZPCZBS-YDZHTSKRSA-N 349.361 4.854 30 40 EJEB C=C(C)CSc1nc(N)c2c3c(sc2n1)CSC(C)(C)C3 535344 ZYKPQWGZGHMHPT-UHFFFAOYSA-N 337.539 4.510 30 40 EJEB N#C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)=N1 4735719 ZDCYLRRMEQQFBM-KRWDZBQOSA-N 330.218 4.668 30 40 EJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC[C@H]1C 5525977 KEAGRABSVVFIMR-CQSZACIVSA-N 332.451 4.609 30 40 EJEB Fc1ccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 6315685 LQMKXWFCDOJICY-QOMWVZHYSA-N 344.393 4.761 30 40 EJEB C=CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9196918 BXUKZEHVBHVERN-RGVLZGJSSA-N 335.234 4.682 30 40 EJEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 16741588 WXEGPUVRIYFEID-UHFFFAOYSA-N 327.746 4.618 30 40 EJEB CN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)CCCCCC2 32796563 MNVRLYZSRGESPR-UHFFFAOYSA-N 338.476 4.551 30 40 EJEB COc1cc(/C=C/C(=O)c2cc3ccccc3o2)c2c(c1)C[C@H](C)O2 58308677 YPBDJPABXLSYNC-GWJCSSMESA-N 334.371 4.661 30 40 EJEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 5550990 QEZHFROTAGAGCI-WJDWOHSUSA-N 342.851 4.794 30 40 EJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2cc(Cl)ccc2O)o1 16450636 UJNDGTMWJIFENZ-VXLYETTFSA-N 342.738 4.964 30 40 EJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1 105453324 KPPZHZNIQNCSBF-UHFFFAOYSA-N 332.488 4.662 30 40 EJEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225846412 PLPVJRDSCKQPNU-FQEVSTJZSA-N 346.471 4.659 30 40 EJEB Cc1cc(Br)ccc1/N=C\c1ccc(N2CCCC2)o1 408848741 SFIRWPOMNSBBIO-WQRHYEAKSA-N 333.229 4.701 30 40 EJEB Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1C 1403817 DFYNSFFSQKYQTH-UHFFFAOYSA-N 348.427 4.842 30 40 EJEB aggregator CC(C)N(CC#CC[C@](O)(c1ccccc1)C1CCCC1)C(C)C 1819003 CBBXFECWNXGNKW-QFIPXVFZSA-N 327.512 4.577 30 40 EJEB C=CCn1c(/N=C(\C)c2ccc(Cl)cc2O)nc2ccccc21 4567320 MZZSVNBPNUJWEY-UDWIEESQSA-N 325.799 4.722 30 40 EJEB COc1ccc(OCCOc2ccc(-c3ccc(C#N)cc3)cc2)cc1 12616937 UMODXWJFSYSBNG-UHFFFAOYSA-N 345.398 4.692 30 40 EJEB Cc1cccc(C)c1N/C=C/C(=O)c1ccc(Br)cc1 32100168 HYUSWDJEJRJKQS-ZHACJKMWSA-N 330.225 4.874 30 40 EJEB O=C1CCCC2=C1[C@@H](c1ccccc1)Nc1ccc3ncccc3c12 322182 TZBCBJTUFAYCRC-JOCHJYFZSA-N 326.399 4.908 30 40 EJEB C=CCSc1ccccc1C(=O)NC(C)(C)Cc1ccccc1 225381490 OUERHRGVLZNEJG-UHFFFAOYSA-N 325.477 4.716 30 40 EJEB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225825784 CMOUCBROCSWYIJ-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB N#CCc1ccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c(Cl)c1 529433109 FBAUINOUPMESNC-HOTGVXAUSA-N 342.801 4.677 30 40 EJEB O=C(c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)C(F)(F)F 575242931 MLFYWIBHZOGVJT-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB C/C(=N\OCc1ccccc1)c1sc2nc3ccccc3n2c1C 1394362 CJKACEAHWWVRTQ-FYJGNVAPSA-N 335.432 4.798 30 40 EJEB O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c(ccc3ncccc13)N2 1442614 XKRFSKOTVDXCFX-FQEVSTJZSA-N 342.398 4.505 30 40 EJEB Cc1cc(N/N=C(/c2ccccc2)c2ccccn2)nc2ccccc12 5392978 BJDHTGKLKCROGB-ROMGYVFFSA-N 338.414 4.803 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13401039 XLZOWNDECGUSCQ-QAHMESRPSA-N 330.512 4.617 30 40 EJEB C[C@@H](CN(C)C)C(/C=C\c1ccc(F)cc1)=N/Nc1ccccc1 17175551 GRWKFHIELHESTI-MCVREYSHSA-N 325.431 4.505 30 40 EJEB CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccccc2)n1 19820812 YXNGBBMSQUFKOG-XJKSGUPXSA-N 338.480 4.728 30 40 EJEB CCC(C)(C)N(CCC#N)Cc1ccc(OCc2ccccn2)cc1 97164335 GVBOJVCLQJIADL-UHFFFAOYSA-N 337.467 4.565 30 40 EJEB Cc1cc(/C=N\O)cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1 256053469 ROKQIHNXGIRJFF-MTJSOVHGSA-N 325.408 4.628 30 40 EJEB N#Cc1ccc(-c2cccs2)nc1SCCOc1ccccc1 2318456 PJQGQTMWHQVGNE-UHFFFAOYSA-N 338.457 4.853 30 40 EJEB CCOc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 5865478 FCSOGECQAKRJDO-ODCIPOBUSA-N 343.736 4.599 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 9096157 SYJXZNVXSNEKGB-HNNXBMFYSA-N 327.449 4.679 30 40 EJEB C[C@@H]1CCCCN1Cc1ccccc1CNc1cccc(F)c1C#N 71954908 QFECTACDIVKBPP-MRXNPFEDSA-N 337.442 4.684 30 40 EJEB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC#N)nnc1-c1cccs1 103985426 ALSGGNUKGLWMQE-XUXIUFHCSA-N 344.509 4.619 30 40 EJEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1 225880696 MIRWKOKMKAYVDF-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc(Cl)cc1 253576134 VLQLXEIQPWUHSU-CIAFOILYSA-N 345.826 4.854 30 40 EJEB CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(C)cc1 4893252 WYVWHUGJOHVJKT-FYJGNVAPSA-N 336.464 4.912 30 40 EJEB O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccccc1)c1cccc([N+](=O)[O-])c1-2 16890129 JTNAFCBVVDDGHM-FMQUCBEESA-N 345.314 4.653 30 40 EJEB CC(=O)c1cccc(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 6357100 MRONNNKZILTGRT-HZHRSRAPSA-N 329.399 4.936 30 40 EJEB O/N=C/c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244318 BBFRATLHAPMULJ-PJQLUOCWSA-N 334.984 4.824 30 40 EJEB Clc1ccc(/N=C\c2ccc(N3CCOCC3)cc2)cc1Cl 409093786 BMWNVPBXFZDCJL-NDENLUEZSA-N 335.234 4.581 30 40 EJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@H]4CC)[C@H]3C[C@H]12 4028570 BYMRGAVEJANVRN-MWDFQMAHSA-N 345.527 4.565 30 40 EJEB biogenic CCCCCCCOc1ccc(-c2ccc(/C(N)=N\O)cc2)cc1 8398440 GDNJWEIXSAIXCJ-UHFFFAOYSA-N 326.440 4.797 30 40 EJEB N#Cc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1 19506754 TZEKNUPVRAMJEB-UHFFFAOYSA-N 325.165 4.661 30 40 EJEB N#Cc1c(NC(=O)Nc2ccccc2Cl)sc2c1CCCC2 28225954 ZVOGKEUZLRUGNM-UHFFFAOYSA-N 331.828 4.796 30 40 EJEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(-c2ccccc2)o1 59400047 XLDFURAWJIAZII-CJLVFECKSA-N 332.403 4.534 30 40 EJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C)c2C)cc1 408742320 OIDZWZAQLVRLOK-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB Cc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCC2)cc1C 556268 YSSZXFRKVLUKKC-UHFFFAOYSA-N 331.419 4.829 30 40 EJEB CCN(CC)c1ccc(/C=N/Nc2cc(C)nc3ccccc23)cc1 5006927 KXINCHAAEYARAW-PXLXIMEGSA-N 332.451 4.835 30 40 EJEB Clc1ccc(SCC#CCSc2ccc(Cl)cn2)nc1 6221964 VWDYYKPTKDZICP-UHFFFAOYSA-N 341.288 4.671 30 40 EJEB Cc1ccccc1/N=C/c1ccccc1OCC(=O)Nc1ccccc1 8570923 MREFANLBGTXUCQ-HZHRSRAPSA-N 344.414 4.763 30 40 EJEB C/C(=N\NC(=S)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 14166265 UAIJMKBVRRXKIT-KGENOOAVSA-N 325.481 4.695 30 40 EJEB Cc1ccc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 17072276 NQNOUNZRISKNFT-AUCMGLCLSA-N 347.443 4.710 30 40 EJEB C=CC[C@H](CCCCCC)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 34334529 NYIOEDUOZUIYCF-RTBURBONSA-N 343.467 4.739 30 40 EJEB in-vitro Cc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(C)c1O 96973217 QKPRNJMTFDFWFJ-VJTUXUFQSA-N 349.386 4.747 30 40 EJEB CC/N=C1/S/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N1CC 408931571 NGUQXYCYSUMCGG-QSAFIDALSA-N 341.480 4.534 30 40 EJEB CC(C)(C)c1ccc(-c2nnc(/N=C(\O)C(F)(F)F)s2)cc1 1279963 AWYODRRVSLTZSS-UHFFFAOYSA-N 329.347 4.653 30 40 EJEB Cc1ccc(N(CCC#N)C(=O)CSc2ccc(Cl)cc2)cc1 3515008 KVZCYSBPFYKHQG-UHFFFAOYSA-N 344.867 4.687 30 40 EJEB C=CCN(C(=O)/C=C/c1ccco1)c1nc(-c2ccccc2)cs1 3558679 SCBVFPNANICVTG-ZHACJKMWSA-N 336.416 4.636 30 40 EJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 4829063 CISBUHCITCYFGI-SJCJKPOMSA-N 339.357 4.906 30 40 EJEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 5100494 SFECAJQDNFQEIJ-CKTMGXBWSA-N 345.483 4.517 30 40 EJEB CCOc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccccc13)C2=O 9423307 XTBVLJLFSWOFPC-RGVLZGJSSA-N 333.387 4.676 30 40 EJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cccs2)S1 59224252 QLVNLRXRZKFZBQ-JYRVWZFOSA-N 334.853 4.602 30 40 EJEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(C(=O)O)c(Cl)c1 408962566 ZFLFMFKJYOHNKR-CIAFOILYSA-N 342.826 4.697 30 40 EJEB CC(C)N1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 13496517 PEWNJAGVBWDEKF-NIVQCIBKSA-N 329.490 4.570 30 40 EJEB C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 16755524 BXLJXGVYWOYWPE-UHFFFAOYSA-N 325.437 4.633 30 40 EJEB COc1ccc(OC)c(/N=C/C=C2/N(C)c3ccccc3C2(C)C)c1 33399639 WCOFTTGDKRKDJP-OQQHTXQFSA-N 336.435 4.718 30 40 EJEB O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(C2CCCCC2)cc1 55104062 JZSCCMMXQGEURI-RGEXLXHISA-N 331.415 4.953 30 40 EJEB Cc1ccc(N2[C@H](C#N)c3ccccc3O[C@H]2c2ccccc2O)cc1 245226294 PKLILLXSSPWLOR-KNQAVFIVSA-N 342.398 4.863 30 40 EJEB CC(=O)c1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)cc1 408915797 YZIWXDBSFOGPIM-CIAFOILYSA-N 333.343 4.598 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 3898339 CXISUUDCBXKVAA-YBFXNURJSA-N 341.754 4.954 30 40 EJEB CCc1sc(N/N=C/c2cccc(OC)c2)nc1-c1ccccc1 4980102 HQZXLILRDHYZFX-DEDYPNTBSA-N 337.448 4.827 30 40 EJEB Cc1ccc(-c2nnc(SCC#N)n2-c2ccc(Cl)cc2)cc1 6654215 KXBDYHXBUJIMMM-UHFFFAOYSA-N 340.839 4.512 30 40 EJEB COc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1OC 13006314 RFTOANUGKVZANQ-HWKANZROSA-N 343.231 4.968 30 40 EJEB CCOc1cccc(/C=N/c2ccc(Br)cc2C)c1O 44836044 CDZGDMSKPFGEFQ-VCHYOVAHSA-N 334.213 4.612 30 40 EJEB COc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 102580711 IFBMZRCKPGVXPT-UHFFFAOYSA-N 346.148 4.614 30 40 EJEB N#Cc1ccccc1CO/N=C/c1cccc(Oc2ccccc2)c1 408590269 HBMLRMPXNABHJA-HZHRSRAPSA-N 328.371 4.901 30 40 EJEB CC(C)(C)c1ccc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1 408854557 IGFZZQKYNGVSHF-NHDPSOOVSA-N 345.826 4.852 30 40 EJEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1O 5362648 PRNRYNVURDTXCI-GIJQJNRQSA-N 334.213 4.531 30 40 EJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC[C@@H]1C 5525975 KEAGRABSVVFIMR-AWEZNQCLSA-N 332.451 4.609 30 40 EJEB CC1=CC(=C2C=CC(=NC3=NCCCS3)C=C2)Nc2ccccc21 9157931 UYIMALZMFBYBKI-UHFFFAOYSA-N 333.460 4.829 30 40 EJEB Cc1nn2c(nc(Oc3ccc(C#N)cc3)c3ccccc32)c1Cl 16737767 TYMPHCVXFIKENZ-UHFFFAOYSA-N 334.766 4.508 30 40 EJEB CCCCCCNc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2 20057757 IIAGNYVVMGKPFF-UHFFFAOYSA-N 343.515 4.995 30 40 EJEB CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 36614101 XYANRLAIRYVGLJ-UHFFFAOYSA-N 338.476 4.803 30 40 EJEB Cc1ccccc1COc1c(Cl)cc(C#N)cc1Br 216910850 RVSNCIJIQBIDSW-UHFFFAOYSA-N 336.616 4.862 30 40 EJEB Cc1ccc(Cl)cc1N/C(=C\C(=O)C(F)(F)F)c1cccnc1 408751526 SYUKYFIVAZNFBM-ZSOIEALJSA-N 340.732 4.628 30 40 EJEB C=CCOc1ccc(CNc2ccc(Br)cc2)cc1OC 6951957 WQKYJQQBKOVTAO-UHFFFAOYSA-N 348.240 4.635 30 40 EJEB Cc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)C(C)C)s1 69654069 XCTQWXUSRDKATF-UHFFFAOYSA-N 327.453 4.565 30 40 EJEB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC#N)nnc1-c1cccs1 103985434 ALSGGNUKGLWMQE-XDQVBPFNSA-N 344.509 4.619 30 40 EJEB Cc1cccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408588361 BJPFBSXWODJTGG-FYJGNVAPSA-N 349.390 4.553 30 40 EJEB COc1ccc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 5128217 RPMQLXZYSGCAQF-QDEBKDIKSA-N 333.343 4.653 30 40 EJEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2cccc3c2c1CC3 5583046 BCUQJCHOSUMQKP-AWNIVKPZSA-N 329.355 4.743 30 40 EJEB N#Cc1ccc2c(c1)COC2(c1ccc(F)cc1)c1ccc(F)cc1 8782780 WDWABVHVASZWHB-UHFFFAOYSA-N 333.337 4.659 30 40 EJEB CCCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 59444472 ILLHXXBTUBFEBL-WUXMJOGZSA-N 340.419 4.779 30 40 EJEB O=[N+]([O-])c1cccc(/N=C(\c2ccccc2)N(O)c2ccccc2)c1 104130916 WUHBJMQTMSGWFZ-FMQUCBEESA-N 333.347 4.569 30 40 EJEB C=C(C(=O)O)[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1 253389116 QVSFEOQJKPOOHP-BEACGEKWSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1c(C)cccc1C 408905984 GUIFIXIMYKNCNN-NBEBQTRCSA-N 336.460 4.927 30 40 EJEB C=CCN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 3558683 GNJTZOCXGLRLBW-UHFFFAOYSA-N 338.407 4.782 30 40 EJEB O=C(COc1ccccc1)N(O)c1ccc(/C=C\c2ccccc2)cc1 4995038 ZQKKCHBZCHWCIC-QXMHVHEDSA-N 345.398 4.658 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@H]3C[C@@]4(C)C(=O)C=CCC[C@]4(C)[C@@H]3CC[C@]12C 6293924 NOXYBWYMMIPAGH-PVHSXGAPSA-N 344.495 4.696 30 40 EJEB N#Cc1c(-c2ccccc2)cn(-c2cccc(C(F)(F)F)c2)c1N 8436412 ZLMJIULWFHKLAG-UHFFFAOYSA-N 327.309 4.617 30 40 EJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 13639998 LEYWQPLZYJVZSF-SFHVURJKSA-N 337.810 4.568 30 40 EJEB C/C(=N\Nc1cc(C)nc(C)n1)c1ccc(-c2ccc(F)cc2)s1 98054908 XRTBZGPZTNYRPV-WSDLNYQXSA-N 340.427 4.797 30 40 EJEB Cc1ccc(/N=C2/S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 100233588 NQNOUNZRISKNFT-HZMZRVLWSA-N 347.443 4.710 30 40 EJEB C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)c1 219790393 IQUIMCQDNLYXBD-HXUWFJFHSA-N 339.435 4.531 30 40 EJEB Clc1ccc(/N=C\c2ccc(N3CCOCC3)cc2)c(Cl)c1 409098937 MVEXYMQZYTZNBY-NDENLUEZSA-N 335.234 4.581 30 40 EJEB C=CCc1cc(C#N)cc(OCC)c1OCc1ccc(Cl)cc1 6350982 QDBPXMOQHLPVNN-UHFFFAOYSA-N 327.811 4.918 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 216888499 CEECHVVVWPOVBY-PKNBQFBNSA-N 342.822 4.970 30 40 EJEB CC[C@@H](C)OC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)F 1772820767 QWCDYLMXYRIWAK-SSDOTTSWSA-N 328.224 4.551 30 40 EJEB CCN(CC)c1ccc(/C=N/c2sc(C)c(C)c2C#N)c(O)c1 268138 USYDCHJEILWAGB-RGVLZGJSSA-N 327.453 4.539 30 40 EJEB CCN(CC)c1ccc(/C=N/Nc2ccc(Br)cc2)cc1 4017910 UPDMQIDDGBRUQE-CPNJWEJPSA-N 346.272 4.741 30 40 EJEB C=C(C)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624311 VLLMYZBEZHVFPM-UHFFFAOYSA-N 340.382 4.547 30 40 EJEB biogenic O=C(/C=C/c1csnn1)c1ccc(-c2ccc(Cl)cc2)s1 40139785 BGNGLWFLICXQNJ-AATRIKPKSA-N 332.837 4.816 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 100860050 SFECAJQDNFQEIJ-OLYUCDMRSA-N 345.483 4.517 30 40 EJEB CCOc1cc(C)c(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1C(C)C 408843912 GCFCPZNGPHLIIG-NDENLUEZSA-N 341.411 4.871 30 40 EJEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1cccc(Cl)c1 409072725 DCDOGBIYLFLPLP-CIAFOILYSA-N 345.826 4.854 30 40 EJEB N#Cc1ccccc1Cn1cc(C(=O)c2ccccc2)c2ccccc21 573690 ZQUBZBGLIZSCOO-UHFFFAOYSA-N 336.394 4.792 30 40 EJEB C=CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OC 2093545 FMPBGRVHIBCUHC-UHFFFAOYSA-N 333.815 4.534 30 40 EJEB Cc1cc(C)c(C#N)c(SCc2csc(-c3ccccc3)n2)n1 4248243 ZILQYOVIHWXCQU-UHFFFAOYSA-N 337.473 4.986 30 40 EJEB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(C#N)cc1 31335552 GVSHHTVLNZHXGT-NSHDSACASA-N 333.218 4.698 30 40 EJEB CC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 104300586 OBTBUXZQFKXPLD-VEOKTLJLSA-N 337.423 4.959 30 40 EJEB C=CCOc1ccc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OC 409114640 HVYPQTWIEIIPFY-JXAWBTAJSA-N 349.430 4.557 30 40 EJEB O=C(Nc1ccc(/C=C/C(=O)c2cccs2)cc1)c1ccccc1 4839161 OCHFRPNTVSUJBA-JLHYYAGUSA-N 333.412 4.897 30 40 EJEB COc1ccc2cc(/C(C)=N/Nc3cccc([N+](=O)[O-])c3)ccc2c1 4921278 KGFNEEMKGZZWKN-DEDYPNTBSA-N 335.363 4.593 30 40 EJEB N#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1Cl 4995604 PNLPQSPHBLKETB-UHFFFAOYSA-N 327.746 4.618 30 40 EJEB C/C(=N/NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1 5092615 OSTOHZGZMZXDDF-GRSHGNNSSA-N 338.263 4.704 30 40 EJEB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC=C(C(C)C)[C@H]4O[C@]43CC[C@@H]12 5103188 GJXHDHSFRNFOKH-CBMYKLCHSA-N 332.484 4.506 30 40 EJEB O=C(O)c1cccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c1 16524272 CGUMWJHNQHUQLW-WOJGMQOQSA-N 348.379 4.974 30 40 EJEB CN(C)CC/C(=N/Nc1ccc(Cl)cc1Cl)c1ccccc1 16953416 JUHKWJCSFMIMJW-SILNSSARSA-N 336.266 4.761 30 40 EJEB N#Cc1ccc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cc1 58161773 FHSCIFIUZJFQNC-SFQUDFHCSA-N 342.423 4.894 30 40 EJEB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl 72302481 RKXRFNMAVDAXLN-FUHWJXTLSA-N 325.843 4.688 30 40 EJEB CC1(C)[C@H]2CC/C(=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@]1(C)CC2 100363465 QBXNDHCLWAAXCS-PTCMVRFGSA-N 346.387 4.507 30 40 EJEB CN(C)[C@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933693 FOHROIQXEIGZAS-VEYVBMQYSA-N 329.528 4.839 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2C)o1 226256530 UDKHPQGFCROCAG-RMKNXTFCSA-N 347.208 4.760 30 40 EJEB Cc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1Cl 409186388 BKZPLWJTUJIVDQ-SRZZPIQSSA-N 345.826 4.729 30 40 EJEB CCCCCOc1ccc(/C=N/N=C(\S)Nc2ccccc2)cc1 4136705 DZABBSPTPJKEQA-HMMYKYKNSA-N 341.480 4.987 30 40 EJEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccccc2F)NC1=O 5376143 KSIGVQKMXFYJOT-QKIOLIMFSA-N 338.407 4.664 30 40 EJEB Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 13895672 XVGAAOPDHGXUKG-GIJQJNRQSA-N 329.812 4.615 30 40 EJEB CC/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(O)cc1 57497647 RWXZRKNSDNAMKM-FYJGNVAPSA-N 343.736 4.686 30 40 EJEB CCn1c(=O)c(/C=N/c2ccc3ccccc3c2)c(O)c2ccccc21 100192845 SIAKXGPUKZPDLW-OEAKJJBVSA-N 342.398 4.631 30 40 EJEB O=C(/C=C\Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1 100662195 DLHUGFKKPDNQCZ-PFONDFGASA-N 345.373 4.865 30 40 EJEB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225843869 LTYQUXCINOWLCO-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1Cl 409098260 OZLGXLVMIRPYSQ-CAOOACKPSA-N 325.151 4.661 30 40 EJEB CCOC(=O)[C@]1(CC)C(=O)C=C(c2ccccc2)C[C@@H]1c1ccccc1 1564070 PFAGDXKIOLDOED-OFNKIYASSA-N 348.442 4.786 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 3193886 LGMMTUGTGUFYIW-UHFFFAOYSA-N 349.440 4.540 30 40 EJEB O=C1CCCC2=C1[C@H](c1cccs1)c1c(ccc3ncccc13)N2 13564302 JWBFFKYVPKDSHN-HXUWFJFHSA-N 332.428 4.861 30 40 EJEB Cc1ccc(C#N)cc1NC(=O)c1cc2ccccc2c2cccnc12 63962112 KMBBEDQWZVRUGH-UHFFFAOYSA-N 337.382 4.820 30 40 EJEB O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1ccc(OC(F)F)cc1 97101654 SYKDCISNXSFMCL-ZHACJKMWSA-N 340.329 4.574 30 40 EJEB CC[C@](C)(/N=C(/O)[C@H]1CCc2cc(C)ccc2O1)c1nc(C)cs1 330012575 KUCRRLKVEUWIQF-APWZRJJASA-N 344.480 4.735 30 40 EJEB COc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1Cl 409068318 RXAHGOUXYPZHHT-CIAFOILYSA-N 332.806 4.839 30 40 EJEB Cc1ccsc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243148 TWNXWPWDICHFCH-UHFFFAOYSA-N 344.198 4.707 30 40 EJEB C/C(=C\C=C(Cl)Cl)CS/C(=N\c1ccccc1)NC#N 5789102 SSODMVZCQREEPH-YRNVUSSQSA-N 326.252 4.743 30 40 EJEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 6401302 WAAKNLDSVHUZET-INIZCTEOSA-N 342.398 4.631 30 40 EJEB C/C(=N\NC(=S)Nc1c(C)cccc1C)c1cc2ccccc2o1 8687673 AWVGGFGCXCBJSN-KGENOOAVSA-N 337.448 4.760 30 40 EJEB CCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 12768356 GRLLLTVRGLYUKI-ACCUITESSA-N 340.419 4.561 30 40 EJEB C=C[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)c1ccccc1 3846404 DSDGITVLZKIPAY-XGXHKWSGSA-N 328.452 4.676 30 40 EJEB biogenic CCCCOc1ccc([C@H]2C=COC3=C2CCCC3=O)cc1OC 5792943 CXVSCBOMPWJSJG-OAHLLOKOSA-N 328.408 4.509 30 40 EJEB CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 28874583 CLSSUUIOPLCVIK-CYBMUJFWSA-N 341.842 4.774 30 40 EJEB CC(C)c1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 33652781 HRZYTRMNHMKHEK-CQCSDLFSSA-N 328.462 4.684 30 40 EJEB CCCC/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1CCCC 35042016 BTXVSNQIJCCUAA-LDORSNRDSA-N 334.460 4.698 30 40 EJEB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c(C#N)c1 225841160 RFWMGHGSDVOQHW-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cc(OC)cc(OC)c2)C1 408562879 GDDGFXSYWIRVAV-SZGUKTLCSA-N 331.456 4.805 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc2ccccc12 408742688 XVVHPSGMGNNYFA-KWJZBXMYSA-N 327.387 4.581 30 40 EJEB C/C(=C\C(=O)c1ccc(Br)cc1)N[C@@H](C)c1ccccc1 409057602 KDMFLWUDSXPXNZ-FNDVETGQSA-N 344.252 4.886 30 40 EJEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCC 409109983 OZAVNLSFNBMYPU-UHFFFAOYSA-N 325.452 4.997 30 40 EJEB C=CCNC(=O)Nc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1 604068382 OJNLUDJGVTUDNC-UHFFFAOYSA-N 337.467 4.904 30 40 EJEB N#CCCn1ncc2c(Oc3ccc(C4CCCCC4)cc3)ncnc21 609324257 CYYJGFIHAAWZAP-UHFFFAOYSA-N 347.422 4.580 30 40 EJEB O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ccccc1C(F)(F)F 2642599 FICPOMRDWDHGEC-YVUBOPQPSA-N 335.285 4.725 30 40 EJEB C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccc(C)cc1 5003829 MWXXCIGNQDONGE-LPYMAVHISA-N 336.464 4.715 30 40 EJEB CCc1n[nH]c(=S)n1/N=C/c1c2ccccc2cc2ccccc12 6684815 KCFMTCNMAYJSTL-UDWIEESQSA-N 332.432 4.692 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1 222887356 HNCDJXCPWVCVNS-FQEVSTJZSA-N 339.435 4.610 30 40 EJEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc2ccccc2n1 4678240 XEFHVLLTKLBEGD-DJKKODMXSA-N 332.190 4.693 30 40 EJEB C#CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 89261547 KEEZMJHJIOUJGR-IBGZPJMESA-N 346.386 4.709 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 225515653 SOFCDGDHTQVJPH-INIZCTEOSA-N 340.492 4.559 30 40 EJEB CCc1ccc(N/C=C2\C(=O)Oc3c(C(C)C)ccc(C)c3C2=O)cc1 226762981 FOIPDZGDISKIBD-PDGQHHTCSA-N 349.430 4.779 30 40 EJEB Cc1c(CSC(C)C)cccc1NC(=O)N1CCC(C)(C#N)CC1 272612968 ZPYUCNBLOVZTQX-UHFFFAOYSA-N 345.512 4.794 30 40 EJEB C#CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OCC 409115563 SDPSFSMQUAMMMG-UHFFFAOYSA-N 343.854 4.980 30 40 EJEB C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1 14084056 JRGFYPNXCDOODD-KRWDZBQOSA-N 343.401 4.717 30 40 EJEB Cc1cc(N/C=C/C(=O)c2ccc(Br)cc2)ccc1F 33869663 JNSFDQXSPRULJW-CMDGGOBGSA-N 334.188 4.705 30 40 EJEB O/C(CN1CCCCC1)=N\c1nc(-c2ccc(Cl)cc2)cs1 50914230 VQPOQESZEQXKHI-UHFFFAOYSA-N 335.860 4.537 30 40 EJEB O=C1Nc2cc(Cl)ccc2N/C1=C\C(=O)c1cccc2ccccc12 104238746 HMQHMUNOXCYSCR-WQRHYEAKSA-N 348.789 4.624 30 40 EJEB C=CCOc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 408574978 NMXKNSTUPMTGMK-UHFFFAOYSA-N 347.867 4.777 30 40 EJEB CCCCO[C@H](C)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659650 ZQGNWGXSXYUWPO-VIFPVBQESA-N 328.268 4.779 30 40 EJEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1Cl 58701118 JDKFJOOGAXQLAX-UHFFFAOYSA-N 347.245 4.917 30 40 EJEB C/C(=N\OCc1ccc(F)cc1)c1nc2ccccc2n1C(F)F 96405188 TVYTVJIPTSSBQQ-SSDVNMTOSA-N 333.313 4.511 30 40 EJEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224702259 UFEMIMAFZZCGRU-UHFFFAOYSA-N 349.883 4.845 30 40 EJEB COC(=O)c1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 408852308 SHKFNCYBHLZUHB-BKUYFWCQSA-N 338.794 4.668 30 40 EJEB N#Cc1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 309850 RPGPSGQCVKPALQ-UHFFFAOYSA-N 330.840 4.794 30 40 EJEB CCCc1ccc(O)c(/N=C/c2cc(Br)ccc2O)c1 4132716 ONAVHMLUYSFFAE-VCHYOVAHSA-N 334.213 4.563 30 40 EJEB CCc1c(C#N)c(-c2ccc(-c3ccccc3F)cc2)c(C(=O)O)n1C 38147774 ONOQSBGHIPAOLO-UHFFFAOYSA-N 348.377 4.630 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)cc1 225485471 MBNLULUMSCLTMG-LJQANCHMSA-N 340.492 4.998 30 40 EJEB CCCCCCCCOc1ccc(Br)cc1/C=N\O 408540532 SXNYACRFBLQFCF-ATVHPVEESA-N 328.250 4.997 30 40 EJEB O=[N+]([O-])c1cc(/N=C\c2ccc(N3CCCCC3)cc2)ccc1Cl 408849670 XOSFZEVJHBSMFH-MOSHPQCFSA-N 343.814 4.989 30 40 EJEB Cc1ccsc1-c1c2c(nc3sc(C#N)c(N)c13)CCCC2 2504052 KSXYNVNTOCNRLD-UHFFFAOYSA-N 325.462 4.666 30 40 EJEB CC(C)COc1cccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)c1 13640487 KXVXXEFJFRCLGN-IZZDOVSWSA-N 346.430 4.803 30 40 EJEB C[C@@H](CCc1ccccc1)/N=C/c1cc(Br)ccc1O 57411985 VXWUWJISOQDRAP-HCZVKUGISA-N 332.241 4.595 30 40 EJEB O=C1/C(=C/c2ccc(O)cc2)CC[C@@H]1CNc1ccc(Cl)cc1 18157 KRNGWPMSMWJZKZ-ATGUSINASA-N 327.811 4.520 30 40 EJEB COc1cc2c(cc1NC(=O)c1ccc(C#N)cc1)oc1ccccc12 6581251 FDLQKKKLNWSSDX-UHFFFAOYSA-N 342.354 4.719 30 40 EJEB FC(F)(F)Oc1ccc(/N=C/c2c(Cl)nc3sccn23)cc1 100334810 CSMFNJSRPRQEOD-CNHKJKLMSA-N 345.733 4.698 30 40 EJEB CCCCCCCCCCOc1ccc(/C(C)=N/NC(N)=S)cc1 100943831 NMLGPHPJHKWHFO-LTGZKZEYSA-N 349.544 4.763 30 40 EJEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 225827274 RZPYADNZPQVOSK-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB CCCCCCCSc1cc(OC)c(CCNC)cc1OC 2049878 QHYGSNAGFBDJNF-UHFFFAOYSA-N 325.518 4.528 30 40 EJEB O=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1Cl 3127090 HTCHNFZETWEOJI-UHFFFAOYSA-N 333.774 4.930 30 40 EJEB N#Cc1ccc(NC(=O)CSc2ccccc2Cl)cc1Cl 3380525 LLRXDLKKDTTYSD-UHFFFAOYSA-N 337.231 4.596 30 40 EJEB CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 4547641 GPXHIYXWGUYGHF-MXWIWYRXSA-N 346.474 4.649 30 40 EJEB biogenic CN(c1ccccc1)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 5586558 UHAITKRPHLQSOG-PXLXIMEGSA-N 341.418 4.777 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OC 8367847 OYQWUNSEMPSKRF-CIAFOILYSA-N 327.811 4.728 30 40 EJEB N#Cc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 21908647 XNEZVMAXQCBXGO-UHFFFAOYSA-N 333.441 4.882 30 40 EJEB C/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1 33322815 OSTOHZGZMZXDDF-VXLYETTFSA-N 338.263 4.704 30 40 EJEB CCCCCCCCCCCCNC(=O)NCc1ccccc1N 100967939 DJMGYFGVTZWJBX-UHFFFAOYSA-N 333.520 4.989 30 40 EJEB CCCCCCCCN(Cc1ccccc1)C[C@H](O)c1ccncc1 104357822 DYNBTZGVDSTGKV-QFIPXVFZSA-N 340.511 4.978 30 40 EJEB C=C[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 105364913 HQCWLYGJDWRLIV-UDKQVLDHSA-N 341.451 4.655 30 40 EJEB CCCOc1ccccc1/C=N/Nc1ccc(Br)cc1 408604176 UCZVYEZCCVNPLL-LDADJPATSA-N 333.229 4.684 30 40 EJEB CCCCCCCCNC(=O)c1ccc2nc3ccccc3nc2c1 408974314 DZTSPFLLTJDJQR-UHFFFAOYSA-N 335.451 4.873 30 40 EJEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 567700 ISHNXMIWXNUIOR-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1 4980094 IUZJFQOGXWPJMD-VXLYETTFSA-N 343.839 4.918 30 40 EJEB c1ccc(CC(Cc2ccccc2)=NNc2nc3ccccc3[nH]2)cc1 5695473 AQKKLMQDWZVIFE-UHFFFAOYSA-N 340.430 4.816 30 40 EJEB C#CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 6960560 VJOYYVXYJMMCCM-FYJGNVAPSA-N 327.811 4.810 30 40 EJEB N#Cc1ccc(Nc2ccc(NCc3ccccc3)c(Cl)c2)nc1 60196882 ZSBMIHMUIKHPFW-UHFFFAOYSA-N 334.810 4.962 30 40 EJEB N#CCCCOc1cccc(CN[C@H](c2ccccc2)c2ccco2)c1 69452989 AOSFXUWKXIOTPS-JOCHJYFZSA-N 346.430 4.841 30 40 EJEB CC(C)=NNc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 72229730 OABJJFYUMCPQQP-UHFFFAOYSA-N 338.436 4.665 30 40 EJEB C=CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 219809775 URLNDNFXTBBIDB-UHFFFAOYSA-N 348.811 4.779 30 40 EJEB CC[C@@H](C)Oc1ccccc1/C=N/Nc1nc2ccccc2s1 408604273 UPCUIQBHXXYCOB-KZKLBEMASA-N 325.437 4.920 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OCC 409113751 NQTPSYZQNLKQEC-UHFFFAOYSA-N 343.854 4.925 30 40 EJEB O=C(/C=C/c1cccc2ccccc12)c1ccc(N2CCCC2=O)cc1 14013739 NQHDHAYOYHIQLH-NTCAYCPXSA-N 341.410 4.863 30 40 EJEB CSc1ccc(/C=N/Nc2oc(-c3ccc(C)cc3)nc2C#N)cc1 28467661 RAAYNHPJBVVURM-CIAFOILYSA-N 348.431 4.690 30 40 EJEB CC(C)(C)c1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 33783259 KDIFYRSKUIJKPO-PETYQORKSA-N 342.489 4.858 30 40 EJEB C=C(C)[C@@H](C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O 38342864 SWPKMTGYQGHLJS-DNGMOHDESA-N 338.403 4.682 30 40 EJEB biogenic,in-vitro CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C[C@H](C)[C@]12C 263600063 JPIUWRVPCMVEFM-GQTDRUJESA-N 326.480 4.890 30 40 EJEB Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 5610647 QEIYTQGGNYWELB-XNTDXEJSSA-N 328.824 4.540 30 40 EJEB O=S(=O)(O[C@H]1C[C@]12CCCC[C@H]2c1ccccc1)c1ccccc1 5734705 CQJLGYWTXRMZGF-UFYCRDLUSA-N 342.460 4.508 30 40 EJEB Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccccc2Cl)S1 7751046 AZDMZYDIKVKDAJ-XNTDXEJSSA-N 342.851 4.848 30 40 EJEB O=C1/C(=C\c2cccs2)C[C@H]2C[C@@H]1C/C(=C/c1cccs1)C2=O 32077956 BPNRNVSTFMGATC-ZMGGSOIXSA-N 340.469 4.845 30 40 EJEB COc1ccc(C(=O)N2c3ccccc3Oc3cc(C#N)ccc32)cc1 72109654 JNDAHXOWDRYLBK-UHFFFAOYSA-N 342.354 4.651 30 40 EJEB C=CCN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc(-c2ccccc2)cs1 101202812 IKHQTGLKWOASOC-BHYGNILZSA-N 336.460 4.541 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 408692787 VJFSYBXUWIAKSM-ZRDIBKRKSA-N 332.355 4.849 30 40 EJEB Cc1c(/C=N\c2ccc(C(=O)O)c(Cl)c2)c2ccccc2n1C 408844154 HDBXJUNVEQNATD-JMIUGGIZSA-N 326.783 4.589 30 40 EJEB C=CCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 2361686 FBFZVJVNLHMKFH-UHFFFAOYSA-N 326.446 4.827 30 40 EJEB CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(N)=O)[C@@H]2C[C@@H]1CC#N 5022282 GCVOAWDIEGWPIT-OCIWIANLSA-N 340.511 4.747 30 40 EJEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 6341121 DCKMBLQYHJECGB-JXMROGBWSA-N 333.309 4.560 30 40 EJEB C=CCOc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 14401088 WFBPMGNWZMEBOU-UHFFFAOYSA-N 345.826 4.703 30 40 EJEB C=CCNc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1 21275202 AYWKRAIMXULQCU-UHFFFAOYSA-N 335.432 4.660 30 40 EJEB O=C1/C(=C\c2cccs2)C[C@@H]2C[C@H]1C/C(=C/c1cccs1)C2=O 32612014 BPNRNVSTFMGATC-MZDJNKSPSA-N 340.469 4.845 30 40 EJEB COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)cc1 408691579 GAVFWVGYLJWMJF-ACCUITESSA-N 346.382 4.938 30 40 EJEB COc1cccc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c1OC(C)C 409009209 BZYZGHPVAZVZSQ-KEBDBYFISA-N 347.798 4.585 30 40 EJEB CCc1ccc(N/C=C/C(=O)c2cccc(Br)c2)cc1 409054780 NVMXYIZQSADETK-ZHACJKMWSA-N 330.225 4.820 30 40 EJEB Cc1ccccc1Cn1cc(C(=O)Cc2ccc(Cl)cc2)cc1C#N 1390041 IJYYPRJOCKGQQR-UHFFFAOYSA-N 348.833 4.795 30 40 EJEB O=C1CS/C(=N\c2cccc(Cl)c2)N1c1cccc(Cl)c1 2759215 DBESNJJCCDDITF-SDXDJHTJSA-N 337.231 4.761 30 40 EJEB N#Cc1ccccc1OC(=O)CC(c1ccccc1)c1ccccc1 7310448 DQCIHBCCQFAHME-UHFFFAOYSA-N 327.383 4.686 30 40 EJEB CCc1c(C)nc2ccc(Br)cc2c1SCCC#N 17353878 QBNDDWFCFOOBGM-UHFFFAOYSA-N 335.270 4.874 30 40 EJEB CSc1ccc(Cl)c(C(=O)Nc2sc(C)c(C)c2C#N)c1 28226232 RVPMWIVMSKKSQZ-UHFFFAOYSA-N 336.869 4.864 30 40 EJEB CCc1ccc(C(=O)/C=C\O/C=C/C(=O)c2ccc(CC)cc2)cc1 33374015 JLOLTIILBGWVSM-VCFJNTAESA-N 334.415 4.921 30 40 EJEB C=CCOC(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226236111 IWQASYUAZDIEEI-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB O=[N+]([O-])c1cccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)c1 1236107 WHTAPEMOATXOEQ-KGENOOAVSA-N 342.358 4.660 30 40 EJEB CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5291493 VCVQTHQDXSXCBE-WEVVVXLNSA-N 334.202 4.848 30 40 EJEB O=C(/C=C/c1ccc(F)cc1)c1ccc(NC2=NCCCS2)cc1 5689691 RNLPHSPTLBWPCS-NYYWCZLTSA-N 340.423 4.627 30 40 EJEB Cc1ccsc1/C=N/N=c1/[nH]c(-c2ccccc2)nc2ccccc12 16363141 NCGKAWHYDGJREV-FYJGNVAPSA-N 344.443 4.535 30 40 EJEB CCCCCCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1 100925826 IZYXGPGKRDKQJP-XUTLUUPISA-N 327.424 4.772 30 40 EJEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(F)cc2)cc1 140012466 CFHDYAQPCRNVMV-YDZHTSKRSA-N 349.361 4.854 30 40 EJEB CCO[P@@](=O)(C#CC(C)(C)C)[C@@](O)(c1ccccc1)C(F)(F)F 4327990 LOOMGBANYDMLRT-WNSKOXEYSA-N 348.301 4.716 30 40 EJEB N#Cc1ccccc1OCc1csc(-c2ccccc2Cl)n1 8428766 YLAFKWBXIPAHNX-UHFFFAOYSA-N 326.808 4.914 30 40 EJEB FC(F)(F)c1cccc(C/N=C/c2cccn2-c2nccs2)c1 100407835 RGGOVGSRCCILMK-RGVLZGJSSA-N 335.354 4.572 30 40 EJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)c2ccccc2)o1 113853940 JIZBICUGRWDVPS-DHZHZOJOSA-N 349.342 4.760 30 40 EJEB C[C@@H](C#N)CNCc1cccc(Oc2cccc(C(F)(F)F)c2)c1 544598036 QNBQKFCFRTXNPP-ZDUSSCGKSA-N 334.341 4.747 30 40 EJEB C=C(C)CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 2625536 XROXMXBOSFFRPZ-UHFFFAOYSA-N 337.448 4.611 30 40 EJEB Cc1ccccc1[C@H]1[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N 4652931 UBBBGSCFVIIMPQ-HXUUKTIPSA-N 344.458 4.527 30 40 EJEB CCOP(=O)(OCC)[C@H](CC#N)c1ccc(C(F)(F)F)cc1 5334476 HKNDILLGKHOXIV-CYBMUJFWSA-N 335.262 4.926 30 40 EJEB C=CCc1cc(-c2nc3c(F)cccc3n2C2CC2)cc(OC)c1O 60790867 ONIRJHQAQRWIAL-UHFFFAOYSA-N 338.382 4.620 30 40 EJEB CCOc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)ccc1O 69419517 ITELXAXQWSYUED-CSKARUKUSA-N 345.464 4.749 30 40 EJEB C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 71405989 HVAWFLCMKRBZCH-UHFFFAOYSA-N 345.251 4.666 30 40 EJEB C=CCOC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 216769717 ACEIPNSVIUVKOZ-UHFFFAOYSA-N 341.588 4.705 30 40 EJEB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225825760 RMALFZZZURZVOU-QRWLVFNGSA-N 346.471 4.659 30 40 EJEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)c1ccoc1 256465614 WAODSNXUGKNQRK-GPHILITQSA-N 340.463 4.609 30 40 EJEB CCOc1cccc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408851128 ITQSLCQSKQDFAH-JWGURIENSA-N 333.435 4.693 30 40 EJEB O=C(/C=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccccc1 12959499 UZKYPIWPGGIALQ-NVNXTCNLSA-N 346.357 4.941 30 40 EJEB COc1cccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)c1 13655840 IFCFBEZUJQBFKO-LGMDPLHJSA-N 345.354 4.853 30 40 EJEB CCCCCCCCCC(=O)Nc1c(NC)c2ccccc2oc1=O 59080852 FZLDVGZNSSWAKK-UHFFFAOYSA-N 344.455 4.914 30 40 EJEB O=C1C2=C(N=C3CCCC(O)=C3[C@@H]2c2cccs2)c2ccccc21 102682027 RUDCQSLONISTIG-KRWDZBQOSA-N 333.412 4.890 30 40 EJEB CCOc1ccc([C@@H](/C(Cl)=N/O)C(Cl)(Cl)Cl)cc1 104132287 AYJXJPOOYRWSQH-MYMQZEFKSA-N 331.026 4.566 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245238853 BQXKIYVBCVCFAZ-PVDCFTIDSA-N 332.528 4.697 30 40 EJEB COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cn1 260569281 OUEIKIPMKXKOKB-SRMCNWIXSA-N 337.467 4.871 30 40 EJEB Cc1cc(N[C@@H](C)c2ccccc2)n2c(nc3ccccc32)c1C#N 91835 LEHPBEXQJOWRLI-HNNXBMFYSA-N 326.403 4.841 30 40 EJEB CN(C)c1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 4366746 HVKUFCBOLBFQJG-HAVVHWLPSA-N 329.447 4.793 30 40 EJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(C(=O)OC)cc2)C1 408564264 XSXGUNOBUJZHCW-MDJJKAFGSA-N 329.440 4.574 30 40 EJEB COc1ccc(/C=N/Nc2nc(-c3cc(C)ccc3C)cs2)cc1 4957153 NHBIUESHPYPWRJ-RGVLZGJSSA-N 337.448 4.882 30 40 EJEB COc1cccc(CNC2=C(c3ccccc3)C(=O)c3ccccc32)c1 20274309 GGXRMDLGFZGNPB-UHFFFAOYSA-N 341.410 4.550 30 40 EJEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(C(C)=O)cc1 26570161 MLGOFVZFPCUZHU-UHFFFAOYSA-O 335.452 4.835 30 40 EJEB [N-]=[N+]=NC1=C(c2ccccc2)C(=O)C(N=[N+]=[N-])=C(c2ccccc2)C1=O 104088870 BDFPTOSJXBFWAL-UHFFFAOYSA-N 342.318 4.581 30 40 EJEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1 225041806 DOGWTDXROUUROL-UHFFFAOYSA-N 337.444 4.530 30 40 EJEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccc(F)cc1 225882531 AARZCFQTTJGGSP-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)c(Br)c2)cc1 408691873 VIOKAVWKEXLSSY-YRNVUSSQSA-N 344.252 4.720 30 40 EJEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 409160290 TUOQMSVPMZCORE-MDZRGWNJSA-N 338.357 4.694 30 40 EJEB N#CCCN(c1ccc(Br)c(F)c1)C1CCCCC1 95915920 RJNPIVHKKOFKHN-UHFFFAOYSA-N 325.225 4.641 30 40 EJEB CC(/C=C/c1ccccc1)=N\Nc1c(F)c(F)c(F)c(F)c1F 5493452 IQKGWRNUKUWVDU-GSXCIMNCSA-N 326.268 4.883 30 40 EJEB O=C1N/C(=N\c2ccc3ccccc3c2)S/C1=C\c1cccs1 8436719 MDCUIKGCFFWBMD-WJDWOHSUSA-N 336.441 4.793 30 40 EJEB CC(C)c1ccc(C/N=C/c2cc(Br)ccc2O)cc1 57411890 CBQAFAWPXGVILF-YBFXNURJSA-N 332.241 4.897 30 40 EJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409102180 VCUKRHXLPBOAFS-XNTDXEJSSA-N 345.807 4.822 30 40 EJEB CC(C)C1=CC(=NOC(=O)c2ccc(Cl)cc2)C=C(C(C)C)C1=O 3078336 FHKIYZBMXSSXGA-UHFFFAOYSA-N 345.826 4.600 30 40 EJEB O=C(O)c1cccc(NN=C(Cc2ccccc2)Cc2ccccc2)c1 4926044 DRQIBXFMKVFASC-UHFFFAOYSA-N 344.414 4.638 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1[N+](=O)[O-] 6048378 VYXIWBQUVCEJPE-WEVVVXLNSA-N 346.180 4.562 30 40 EJEB COc1cc(C)c(N/C(S)=N\c2cccc(Cl)c2)cc1OC 8684957 XSEQVNATOADPHF-UHFFFAOYSA-N 336.844 4.695 30 40 EJEB C/C(=N\OC(=O)Nc1cccc2ccccc12)C(=O)c1ccccc1 16137256 CZWYIWSIXKMTNT-HYARGMPZSA-N 332.359 4.647 30 40 EJEB N#Cc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 68234021 DCPMRVGTYYXJTH-UHFFFAOYSA-N 339.354 4.619 30 40 EJEB COc1cc(NCC(C#N)C#N)ccc1/N=N\c1ccc(Cl)cc1 104288921 RHCCMWMRCRPEBD-FCQUAONHSA-N 339.786 4.839 30 40 EJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Cl)s1 409106616 OKHHVEANOIPGFF-UBKPWBPPSA-N 349.721 4.775 30 40 EJEB C/C(=N\Nc1cc(C)nc(C)n1)c1ccccc1OCc1ccccc1 98054906 SARGBXQDJGFZEA-LFVJCYFKSA-N 346.434 4.509 30 40 EJEB C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 595045957 WQMBBTXTOMOUNU-YVEFUNNKSA-N 327.378 4.619 30 40 EJEB CC(C)C(=O)Nc1ccccc1NC1=CC(=O)C[C@H](c2ccccc2)C1 5188083 UPAQTJKMVHFALB-QGZVFWFLSA-N 348.446 4.724 30 40 EJEB C=CCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 19560958 KENBSEXOYHVFTF-UHFFFAOYSA-N 328.466 4.543 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1F 44835907 QJJKRPSZWHKXLL-REZTVBANSA-N 328.568 4.698 30 40 EJEB CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@H]12 118932952 HMVLGFGCMLJNDB-UFLJLORGSA-N 330.512 4.761 30 40 EJEB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)c(C#N)c1 225842914 XUQSTMQTOOKHFP-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB N#C[C@@H](c1ccc(N)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1731812 RTOYAUPYTHGILO-VXKWHMMOSA-N 340.426 4.933 30 40 EJEB CCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 8396122 XFCZOXZURUPSNY-WYMLVPIESA-N 333.472 4.584 30 40 EJEB C#CCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10118887 JJIZZABWCINDQS-BUVRLJJBSA-N 348.833 4.629 30 40 EJEB CSc1nc(Nc2ccccc2F)c(C#N)c(-c2ccccc2)n1 15831976 SKRSJERGXSPXGW-UHFFFAOYSA-N 336.395 4.620 30 40 EJEB N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCC2 18144036 ZLCCXOOZFJEICE-FBCYGCLPSA-N 337.231 4.871 30 40 EJEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(OC)nc3)c2C)cc1 408759964 PBXNCLRZECJOII-XKZIYDEJSA-N 333.435 4.811 30 40 EJEB C[C@H](Oc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1)C(=O)O 408851928 BSYCLUNXLZHFBG-DTHVTWRFSA-N 325.408 4.587 30 40 EJEB CCSc1cc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)c(C)o1 1421378 CECCLQJZURDEHP-UHFFFAOYSA-N 342.445 4.656 30 40 EJEB C=CCn1c(/N=C(\C)c2cc(Cl)ccc2O)nc2ccccc21 4608499 NEYQTKNRULJUEI-UDWIEESQSA-N 325.799 4.722 30 40 EJEB COc1ccc(/N=C2/C(=O)N3c4c2cc(C)cc4[C@H](C)CC3(C)C)cc1 4737082 GPQWNWCVMCGTIT-BUABVIFSSA-N 348.446 4.757 30 40 EJEB COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OC 5129052 UEOFDZPKPPXTTK-RMKNXTFCSA-N 337.202 4.907 30 40 EJEB O=C(OC/C(O)=N/c1ccc2ccccc2c1)c1cc2ccccc2[nH]1 5532124 DCDCIRTWTGJZIG-UHFFFAOYSA-N 344.370 4.766 30 40 EJEB CC(C)c1ccc(N/N=C(\CCCCC(=O)O)c2ccccn2)cc1 16756839 KXIYKWBXOJJCMI-FCDQGJHFSA-N 339.439 4.666 30 40 EJEB N#Cc1c(S)nc(-c2ccc(Br)cc2)c2c1CCCC2 95117610 MLWOOUVSJMMYFM-UHFFFAOYSA-N 345.265 4.550 30 40 EJEB COc1ccc(/N=C2/C(=O)N3c4c(ccc(C)c42)C(C)=CC3(C)C)cc1 112113675 UPUUYWSOHWLGCI-FCDQGJHFSA-N 346.430 4.667 30 40 EJEB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c(C#N)c1 225842899 XUQSTMQTOOKHFP-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB O=C1/C(=C(\O)C(F)(F)F)CCCC/C1=C\c1ccc(O)c(Cl)c1 408564389 ZXTUKWVDOMIJKY-XGQUATGFSA-N 346.732 4.947 30 40 EJEB C=CCc1cc(C=O)cc(Br)c1OCc1ccccc1F 408857418 UYRNVFAOBLKLHS-UHFFFAOYSA-N 349.199 4.708 30 40 EJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 428106 AAFCZIVLTILZBR-UNMCSNQZSA-N 348.442 4.623 30 40 EJEB CCc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)cc1 5551588 FJEZPTBCZQUZLR-PDGQHHTCSA-N 336.460 4.757 30 40 EJEB CCOP(=O)(OCC)O/N=C(/C)c1cccc(C(F)(F)F)c1 5575814 UPGPYZOHZGLGBT-YVLHZVERSA-N 339.250 4.627 30 40 EJEB Cc1cc(C)nc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)n1 6672281 ICDQRVBQYKMQHT-LPYMAVHISA-N 341.418 4.688 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(F)cc3F)o2)cc1 408602952 PGQYYDBJDXSEIC-KEBDBYFISA-N 343.289 4.579 30 40 EJEB N#Cc1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCC2 401972 WZJJQABTFHSBKK-UHFFFAOYSA-N 331.828 4.796 30 40 EJEB C#CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OC 8112770 NPPOWISTWVTLGU-UHFFFAOYSA-N 336.218 4.626 30 40 EJEB C#CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 8570390 MGWXGEDHNLDWRP-UHFFFAOYSA-N 327.383 4.618 30 40 EJEB CS/C(=N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 100930584 OEPDCSOWTBALOO-WUWZKHMASA-N 348.475 4.693 30 40 EJEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(O)c1 254287794 AUANPDRAXNBDPG-UHFFFAOYSA-N 342.851 4.994 30 40 EJEB Brc1ccc(-c2csc(NN=C3CCCC3)n2)cc1 360489 RQZSGEFNQZWBDM-UHFFFAOYSA-N 336.258 4.915 30 40 EJEB Cc1ccc(-n2c(C)cc(C(=O)COc3ccc(C#N)cc3)c2C)cc1 3317550 XPMLWIVJSKSYMG-UHFFFAOYSA-N 344.414 4.536 30 40 EJEB Cc1ccc(-c2cc3ncc(C#N)c(-c4ccc(Cl)cc4)n3n2)cc1 5794931 RNZZAECPCKMVLM-UHFFFAOYSA-N 344.805 4.897 30 40 EJEB O=C1Nc2ccccc2/C1=N\c1c(Cl)cc(Cl)cc1Cl 6864660 FJBIKZJHWITNGH-UHFFFAOYSA-N 325.582 4.720 30 40 EJEB Cc1nc(SCc2ncc(-c3ccccc3)o2)c(C#N)c(C)c1C 7059989 DZTMZPQXTOBRHK-UHFFFAOYSA-N 335.432 4.826 30 40 EJEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc3ccccc3o2)n1 36774901 XJCNMHOHJMHRTD-UHFFFAOYSA-N 349.337 4.714 30 40 EJEB O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1ccccc1 55135320 JFHWRRJQZRMKEI-BUHFOSPRSA-N 329.443 4.879 30 40 EJEB Cc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cn3)c2O)nc1 100146955 DHKDPKHYGWLHPJ-DWGHPKEWSA-N 344.418 4.609 30 40 EJEB CCCCCCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)Cl 100498117 BJYSIXLXMKLCCR-ZDUSSCGKSA-N 346.726 4.712 30 40 EJEB CCCCCCCCCCCCCCCCN(CCO)CC(=O)O 104188937 VJMODQNIINNUTO-UHFFFAOYSA-N 343.552 4.847 30 40 EJEB C#CCOc1ccc(CNc2cc(C)ccc2C)cc1Br 409121962 WEHOPOLJOGSVJR-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB O=C(O)COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 409210665 JYXCLKRAHWVXOL-HYARGMPZSA-N 347.370 4.693 30 40 EJEB Cc1ccc(S(=O)(=O)O[C@H]2CCCCC[C@H]2c2ccccc2)cc1 1715755 HEMYTSVHMYKVRD-PMACEKPBSA-N 344.476 4.817 30 40 EJEB CCOc1ccccc1-c1c(C#N)c(C)nc2c1C(=O)c1ccccc1-2 4050671 BOIVHMJSIVJRDE-UHFFFAOYSA-N 340.382 4.539 30 40 EJEB CC(C)N/C(=N/c1ccccc1)NCc1ccc(Cl)cc1Cl 6417149 IPURTGGCIASEME-UHFFFAOYSA-N 336.266 4.769 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 7353062 CIDHOYOMFOBEPT-DHZHZOJOSA-N 348.398 4.762 30 40 EJEB CCCCCCCCCCOC(=O)C[N+](C)(C)C/C=C(/C)Cl 8830039 PYGGFXUPCKYWAY-LGMDPLHJSA-N 332.936 4.889 30 40 EJEB C=CCC1(CC=C)CCN1C(=O)c1nc(-c2ccc(F)cc2)oc1C 12325741 ODLQSUBKFOJPOC-UHFFFAOYSA-N 340.398 4.526 30 40 EJEB Oc1ccc2ccccc2c1/C=N\N=C/c1c(O)ccc2ccccc12 12360335 SYRBOMODLUADBZ-GACBQCINSA-N 340.382 4.857 30 40 EJEB CN(C)c1ccc(/C=C2\CCCC(=C3SCCCS3)C2=O)cc1 51329706 YRBKXAJHFOSLIW-FYWRMAATSA-N 345.533 4.971 30 40 EJEB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)F 575242917 LUPKNSIVMVNTNA-UHFFFAOYSA-N 342.569 4.619 30 40 EJEB CN(CCC#N)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 12420986 KVRTVZBIOQJEKP-VMPITWQZSA-N 330.840 4.647 30 40 EJEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1Cl 95350853 BMPITWBWQYPBDM-SFHVURJKSA-N 347.805 4.643 30 40 EJEB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 225508195 JNOLIVIGZWPETD-MRXNPFEDSA-N 336.435 4.591 30 40 EJEB Cc1ccnc(/N=C/c2cc(Br)c3ccccc3c2O)c1 499762 NWRQACQGPVHKBL-KEBDBYFISA-N 341.208 4.762 30 40 EJEB CCCCC(=O)Nc1cccc(/N=C/c2cccc(OCC)c2O)c1 6396839 AOKNTMIKVXOKDT-KGENOOAVSA-N 340.423 4.670 30 40 EJEB FC(F)(F)c1ccc(N/N=C\c2ccc(N3CCCCC3)cc2)nc1 35596036 SSQVQSYJLYNQJN-FMCGGJTJSA-N 348.372 4.537 30 40 EJEB Cc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1 353731 XHBQOMSZQSVEHO-UHFFFAOYSA-N 328.371 4.911 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/O 4715266 FVRSZRQIIWPOJR-MOHNLVEUSA-N 344.495 4.567 30 40 EJEB CCOc1cc(/C=N\N=C2c3ccccc3-c3ccccc32)ccc1O 16921122 APVAXVZXAPIPNR-UCQKPKSFSA-N 342.398 4.643 30 40 EJEB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@@H]3CC[C@@]12C 253618080 PGAUJQOPTMSERF-PBLHBYQSSA-N 344.495 4.696 30 40 EJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccccc1 5376271 GKVDMNFGOCIBRO-ZROIWOOFSA-N 348.349 4.597 30 40 EJEB CC(=O)C(=N\Nc1ccc(Cl)cc1)/C(C)=N/c1ccc(C)cc1 6522409 BDUQGXQYUZUWHE-OWPYXTACSA-N 327.815 4.798 30 40 EJEB CC(C)Cc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 20790720 OJZQVIQVFHFYHB-UHFFFAOYSA-N 341.499 4.748 30 40 EJEB N#Cc1ccccc1OCc1nc(-c2ccccc2)c2ccccc2n1 32754505 YJMPCTLGLJBROC-UHFFFAOYSA-N 337.382 4.747 30 40 EJEB CCO[C@@H](C)c1nc(CNc2cc(C#N)ccc2OC(C)C)cs1 86203167 MXMNFKUBDLACFO-ZDUSSCGKSA-N 345.468 4.512 30 40 EJEB C=CCOc1ccc2ccccc2c1CNc1cccc(C(=O)O)c1 408614150 YZPIGZYYHHCLRG-UHFFFAOYSA-N 333.387 4.715 30 40 EJEB CCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccccc1 3017027 DOLFOBDWABTIOQ-OBGWFSINSA-N 335.403 4.600 30 40 EJEB Fc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 8811452 VUBJMVCQRICAMX-WSDLNYQXSA-N 328.774 4.863 30 40 EJEB FC(F)=C(F)O[C@](F)(C(F)(F)F)C(F)(F)C(F)=C(F)F 59229117 CQFRQNIHJCTFRW-LURJTMIESA-N 328.052 4.979 30 40 EJEB Cc1c2c(c(C#N)c3nc4ccccc4n13)CC[C@@H](c1ccccc1)C2 170622693 MZQWOXYNJUBYPW-QGZVFWFLSA-N 337.426 4.940 30 40 EJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(F)cc2)S1 408858485 PJNINNVWUZKMGB-DHDCSXOGSA-N 346.814 4.679 30 40 EJEB CCCCCCC/N=c1\ssc(=O)n1CCCCCCC 1666760 NOZPXJROUSNKIE-ICFOKQHNSA-N 330.563 4.813 30 40 EJEB Cc1ccc(C)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1 6047050 VWAMTZCJTKECBT-QPSGOUHRSA-N 327.737 4.817 30 40 EJEB N#Cc1ccc(COC(=O)c2sc3cc(F)ccc3c2Cl)cc1 7653819 WPOLFRMZYUMTNQ-UHFFFAOYSA-N 345.782 4.922 30 40 EJEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)cc(F)c1 9088404 GZBPDTGPLLOQMH-GIPWTMENSA-N 340.373 4.797 30 40 EJEB C#CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 216941508 GENVRGMYXKIPAB-UHFFFAOYSA-N 337.378 4.845 30 40 EJEB Cc1ccc(N2C(=O)C[C@@H](c3cccs3)C3=C2CCCC3=O)cc1 107115 KJXQNCVIZPNHAO-HNNXBMFYSA-N 337.444 4.584 30 40 EJEB N#Cc1cc2c(nc1SCC(=O)c1ccccc1)CCCCCC2 497232 DSFFNHAYIKNYBP-UHFFFAOYSA-N 336.460 4.587 30 40 EJEB O=[N+]([O-])c1cc(/C=N/Nc2ccccc2C(F)(F)F)ccc1Cl 5504535 WLDSFKICOUHQHP-UFWORHAWSA-N 343.692 4.713 30 40 EJEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccc(F)cc2)cc1 225888581 FMMMJFUJBGVYJO-UHFFFAOYSA-N 337.423 4.589 30 40 EJEB CC1(C)CC[C@@H]2C[C@@H](/N=C(/O)CCc3cnccn3)c3cccc1c32 330017749 RQOXQXQOLQCLRQ-RDTXWAMCSA-N 335.451 4.666 30 40 EJEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408646499 AYYUZYGGMLQPNT-SDNWHVSQSA-N 331.415 4.999 30 40 EJEB COc1ccc(OC)c(/C=C2/CCc3c([nH]c4ccc(C)cc34)C2=O)c1 13361814 RLNASZRFUCADGV-KAMYIIQDSA-N 347.414 4.706 30 40 EJEB N#Cc1ccccc1CN1CCc2sccc2[C@@H]1c1ccccc1 15033917 SEBVBMHBLSDEAM-NRFANRHFSA-N 330.456 4.767 30 40 EJEB N#CCc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 28440808 RACZXGDWHSBUPR-UHFFFAOYSA-N 333.218 4.631 30 40 EJEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(F)cc1 44087003 YQLISWPNVPTVKP-UHFFFAOYSA-N 340.423 4.965 30 40 EJEB C=CC/N=c1/sc(C)c(-c2ccc(OC)cc2)n1-c1ccccc1 103613277 LYDRVSIUKQECTE-QZQOTICOSA-N 336.460 4.610 30 40 EJEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(F)c1 408595179 VVIYPBBTOLJKIN-ZMOGYAJESA-N 347.393 4.656 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C#N)C1 3306445 IXYBXBGHUYGHCV-QMMMGPOBSA-N 336.869 4.712 30 40 EJEB C/C(=N\Nc1ccccc1)c1nc2c(ccc3ccccc32)nc1C 4265757 ZPDDRJQHAQAIJQ-BUVRLJJBSA-N 326.403 4.928 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cc(OC)c1O 8322113 YCHRDJFSXPNTKR-JXMROGBWSA-N 340.419 4.504 30 40 EJEB Cc1cccc(Cn2c(C#N)cc(N)c2Oc2cccc(Cl)c2)c1 225881846 GHRVDGLXDUGJCO-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB CCOC(=O)c1cccc(N/C=C2\C[C@H](C(C)(C)CC)CCC2=O)c1 408562732 AZHDABUTCFXPSD-FYPAKXHLSA-N 343.467 4.965 30 40 EJEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)c1 409096607 KATUEPXDGRZTPZ-SRZZPIQSSA-N 342.757 4.719 30 40 EJEB CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 8362965 CHPSYPCJGVFTMQ-BIXZQSIESA-N 336.460 4.927 30 40 EJEB COc1ccc(/N=C2/N=C(O)S/C2=C\C=C\c2ccccc2)cc1 16711894 QVNREFYRJVZRMZ-WIXUPIFPSA-N 336.416 4.983 30 40 EJEB Cc1ccc(-c2nc(C#N)c(N/N=C/c3ccc(Cl)cc3)o2)cc1 26963307 KJIWVXJSNIXEEP-SRZZPIQSSA-N 336.782 4.621 30 40 EJEB C[C@H](Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1)C(=O)O 59248983 FIFJOAKCJFZMFP-OVNPTBDBSA-N 338.190 4.596 30 40 EJEB Oc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59250535 WUENIPLUYVMZJR-XDHOZWIPSA-N 341.208 4.696 30 40 EJEB CCCCOC(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 72328188 CCDJEFKOIYSKMF-UDWIEESQSA-N 331.799 4.753 30 40 EJEB CC1=C(/C=C/[C@](C)(O)CC#C[C@]2(C)C=COCCO2)C(C)(C)CCC1 95611846 FOOIMBDCRKVYBU-MWQXYBBBSA-N 344.495 4.533 30 40 EJEB CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1CC 408727673 VSCJHGRTJKPUEM-UNOMPAQXSA-N 325.437 4.703 30 40 EJEB Cc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1 408739496 WVSAKEBWXLBRAA-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(C(C)(C)C)cc1 408739781 FQDJVCDYVRVAQX-VZMFNRANSA-N 333.435 4.725 30 40 EJEB CCCCCCCCc1nnc(NC(=O)c2ccc(OC)cc2)s1 3016507 PBSPQKLRVBLEHO-UHFFFAOYSA-N 347.484 4.702 30 40 EJEB C=CCOc1cc2c(cc1[C@@H](C)c1ccc(OCC)cc1)OCO2 5962341 GKQAWHGNVBHQAX-AWEZNQCLSA-N 326.392 4.531 30 40 EJEB COc1cccc(/C=C\C(=O)c2ccc(Cl)s2)c1OC(F)F 96766595 PCHNEUXSYZOQSS-WAYWQWQTSA-N 344.766 4.908 30 40 EJEB Cc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1Cl 409063808 AAIMCXVZIVUZTF-FYJGNVAPSA-N 328.843 4.544 30 40 EJEB C=CCN1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O 409074543 MUOJEINIFABUQO-VVBXCHJUSA-N 340.448 4.835 30 40 EJEB O=C(O/N=C/c1ccc(-c2cccs2)s1)c1cccnc1Cl 165242 HRGFNWLKUYGBLR-GIJQJNRQSA-N 348.836 4.716 30 40 EJEB COc1ccc(N/N=C2/Sc3ccc4ccccc4c3C2=O)cc1 4499530 YWFOYUQXOKPPNG-XUTLUUPISA-N 334.400 4.562 30 40 EJEB N#Cc1ccccc1CNc1ccccc1N1CCc2ccccc2C1 32803988 DSVPTSYCFLFYOX-UHFFFAOYSA-N 339.442 4.733 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 245241148 XZNGOEFIQGQWSR-ULJHOBCISA-N 326.480 4.890 30 40 EJEB FC1(F)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)[C@@]1(F)Cl 257352811 NOLOAYRMLAKXDE-GJBJXMDJSA-N 349.407 4.620 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(O)cc1 409021441 HVENHTNFFKLDLQ-UDWIEESQSA-N 326.783 4.596 30 40 EJEB C#CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OCC 409113369 HOKVOWZCTMRBCJ-UHFFFAOYSA-N 343.854 4.980 30 40 EJEB N#CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2063369 KZJLZCJASKMTTF-UHFFFAOYSA-N 327.412 4.903 30 40 EJEB C=CCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5324242 XTEOZFXSTKCGRB-UHFFFAOYSA-N 326.465 4.581 30 40 EJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(C)c1 97104986 FBTRBADUTASPPS-IRLDBZIGSA-N 348.442 4.623 30 40 EJEB C/N=C1\S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1C 100248803 XFRVRZRGQCFBMA-KDWIEBRMSA-N 332.428 4.525 30 40 EJEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C 408708137 HBEVETZWCVBDNJ-UHFFFAOYSA-N 332.488 4.615 30 40 EJEB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)o3)c2C#N)C1 2737005 PAGLLPDVNALRLH-BUUCAEBMSA-N 340.448 4.688 30 40 EJEB COc1ccc2cc(/C=N/Nc3ccc(Cl)cc3)c(Cl)nc2c1 5781606 PKSWAKHEUFXUIJ-KEBDBYFISA-N 346.217 4.996 30 40 EJEB C=CCOc1ccc(Cl)cc1/C=N/NCc1ccccc1Cl 8811765 PTIJFIGXQOBHOM-CIAFOILYSA-N 335.234 4.682 30 40 EJEB CCOc1ccc2cc(/C=C/C(=O)c3ccc[nH]3)c(Cl)nc2c1 95116020 OSRFMMHJYKQUHS-SOFGYWHQSA-N 326.783 4.511 30 40 EJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408739500 WXEQAMDRKZYPLE-HYARGMPZSA-N 332.403 4.631 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1 353060 IKKPEEURDXDNGX-FYJGNVAPSA-N 342.358 4.660 30 40 EJEB CN/C(=N\C(=S)N(c1ccccc1)c1ccccc1)c1ccccc1 16188875 IMJIHXQOWFHWSI-UHFFFAOYSA-N 345.471 4.776 30 40 EJEB OC1=NC(=N\c2cccc(C(F)(F)F)c2)/C(=C\c2cccnc2)S1 95473498 GSSRMGYBEFUMJL-NTUHNPAUSA-N 349.337 4.832 30 40 EJEB COc1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 100369567 LKKQUTINGUFKBI-FYJGNVAPSA-N 349.390 4.762 30 40 EJEB CC(C)(C)C1C/C(=C/c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 13286597 QHULEUBLJXAJBQ-OMYAATJGSA-N 332.447 4.969 30 40 EJEB Clc1ccc2c(N/N=C/c3ccc(-n4ccnc4)cc3)ccnc2c1 19630600 RVMSJNPTTCNVQD-FSJBWODESA-N 347.809 4.520 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)cc1C 34210737 FYPPZDRNGWYFTL-VCHYOVAHSA-N 347.443 4.676 30 40 EJEB CCOC(C/N=C\c1cc(C)c2[nH]c3ccccc3c2c1C)OCC 104049971 ALTWHROXLXFDIW-UUYOSTAYSA-N 338.451 4.756 30 40 EJEB C=CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccccc1 408730711 UNWNOELKUOTKEQ-HOOMGSECSA-N 334.444 4.785 30 40 EJEB CC(C)(CCC#N)CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 557984393 CGSZPLFBCZCRBE-GJZGRUSLSA-N 339.266 4.543 30 40 EJEB O=C(c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575359078 RGNFCQFNMPCGKX-UHFFFAOYSA-N 342.132 4.721 30 40 EJEB C=CCOc1ccc(C(=O)C=C(O)c2ccc(OCC=C)cc2)cc1 1857793772 NISJCTPHEWGORP-UHFFFAOYSA-N 336.387 4.598 30 40 EJEB CCc1cc2c(cc1C(=O)C[n+]1ccccc1)C(C)(C)CCC2(C)C 2256225 VPCLRYONQKRYIY-UHFFFAOYSA-N 336.499 4.768 30 40 EJEB CN(C)c1ccc(/C=C2\CCCC(=C3SCCS3)C2=O)cc1 3199243 GVNBTOFPSWZVHA-WYMLVPIESA-N 331.506 4.581 30 40 EJEB CCOc1ccc(N/C(=N\C#N)SCc2ccccc2C)cc1 4620312 SNMBITJXPJHHAU-UHFFFAOYSA-N 325.437 4.576 30 40 EJEB CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccccc2)n1 15831978 VBKWJENHCMEXBH-AWEZNQCLSA-N 346.459 4.910 30 40 EJEB CCCC(=O)Nc1ccc(Cl)c2nc(N/N=C(/C)CC)sc12 72229823 UOWKOTSPJPJISV-OCKHKDLRSA-N 338.864 4.886 30 40 EJEB CCCCCCCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1 100856329 AHKJWXZAVWNLNJ-SSZFMOIBSA-N 349.521 4.915 30 40 EJEB CC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1ccccc1F 101405348 ZLUAFXQYVHTHEV-GOSISDBHSA-N 333.362 4.558 30 40 EJEB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c(C#N)c1 225825681 ZJTPNQRZTVYZNH-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB O/C(Cc1ccccc1Br)=N/C1CCC(F)(F)CC1 330031939 GKQLUIMPHCJJDP-UHFFFAOYSA-N 332.188 4.526 30 40 EJEB CCOc1cc2c(cc1/C=N/c1ccc(C(C)(C)C)cc1)OCO2 409104219 GPULWRQTSMWWBF-CIAFOILYSA-N 325.408 4.862 30 40 EJEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1C1CCCCC1 4286518 ASFFUHZFJHIIFZ-UHFFFAOYSA-N 338.480 4.676 30 40 EJEB N#Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)cc1 8036723 RJKSVXPDWWIALA-UHFFFAOYSA-N 346.455 4.505 30 40 EJEB C=CCc1cc(C(=O)N[C@H](CC)c2ccc(C)cc2C)ccc1OC 218659279 BBOTZQBIMHBGDM-HXUWFJFHSA-N 337.463 4.922 30 40 EJEB CCOc1ccc(Cl)cc1/C=N/Nc1nc2ccccc2n1CC 408692411 LYUPKAXPGXZWSY-UDWIEESQSA-N 342.830 4.554 30 40 EJEB Nc1cc(F)c(F)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250343 HPRXBRAIYMDSIV-UHFFFAOYSA-N 325.183 4.636 30 40 EJEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H]1CO1 3227430 CAEYOAHHWYBZDZ-QGZVFWFLSA-N 344.439 4.778 30 40 EJEB C=CCOc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 8904915 YLQPCRNJARJVPA-UHFFFAOYSA-N 345.826 4.539 30 40 EJEB Cc1ccc(/N=C/c2cc(Br)c3ccccc3c2O)nc1 13756636 VSMHLRBDVQYUND-KEBDBYFISA-N 341.208 4.762 30 40 EJEB CCCCc1nc(N2CCCCC2)c(C#N)c2c1CSC(C)(C)C2 13764917 CDXWFFVATVYIJU-UHFFFAOYSA-N 343.540 4.854 30 40 EJEB N#Cc1cccc(/N=C/c2ccc(/C=N/c3cccc(C#N)c3)cc2)c1 297049 VWUTWFMHWUNRBM-RYQLWAFASA-N 334.382 4.931 30 40 EJEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 4660297 GLZWWWRACRQACE-CQVIYSMGSA-N 334.444 4.867 30 40 EJEB CCOc1cc(/C=N/c2ccc(C)cc2)c(Br)cc1OC 101601600 CFSLLVHQLBORAK-YBFXNURJSA-N 348.240 4.915 30 40 EJEB CCOc1ccc([C@H](/C(Cl)=N\O)C(Cl)(Cl)Cl)cc1 104132290 AYJXJPOOYRWSQH-PQDUMBNFSA-N 331.026 4.566 30 40 EJEB COc1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1 4791721 QXQBRIWRTAVJRD-VXLYETTFSA-N 343.839 4.918 30 40 EJEB O=C1CC[C@H](/C(O)=N/[C@@H]2CCCc3sc(Cl)cc32)n2cccc21 329242847 SMDDDZHBPDBHHM-DGCLKSJQSA-N 348.855 4.755 30 40 EJEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccco3)cc2)cc1 409179083 PAMRLWVIGKNQRJ-OUKQBFOZSA-N 335.359 4.889 30 40 EJEB Cc1cccc(-c2nnc(SCC#N)n2-c2cccc(Cl)c2)c1 4093574 RVOANOBYALFXSZ-UHFFFAOYSA-N 340.839 4.512 30 40 EJEB Fc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1 5576712 BSHQMYGRFVTZNY-AUEPDCJTSA-N 348.406 4.943 30 40 EJEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2ccccc2[nH]1 14201731 MBPUKEXXDYENTQ-UHFFFAOYSA-N 330.840 4.711 30 40 EJEB CCCN(CCC)c1nc(SC)nc(-c2ccc(C)cc2)c1C#N 15831982 KCTMDACLBVANAA-UHFFFAOYSA-N 340.496 4.672 30 40 EJEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccccc2)c1C 408784294 AOYHIEFQLIXBGJ-XKZIYDEJSA-N 332.403 4.851 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc2ccccc2c1 409064711 DSLREACERSIZFQ-KQWNVCNZSA-N 330.431 4.735 30 40 EJEB C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc(F)c1 4276245 RWAOMBZYSBNEJE-ZHACJKMWSA-N 338.407 4.807 30 40 EJEB C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1 14084054 JRGFYPNXCDOODD-QGZVFWFLSA-N 343.401 4.717 30 40 EJEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\N=c1\[nH]c(-c3ccccc3)cs1)C2 100045211 LPZRONVVQPPYEV-WWHGNHRRSA-N 325.481 4.846 30 40 EJEB C=C1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 245240393 PUCXZBGPUPYKFE-LFPDIOOPSA-N 342.479 4.616 30 40 EJEB C=CCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 14783766 RLMMIFJDCRYAFW-UHFFFAOYSA-N 339.435 4.566 30 40 EJEB N#CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 16495955 UFUZAPHCZBGRAG-UHFFFAOYSA-N 342.398 4.507 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccccc2C)c1 225754694 YAZVIUKKXQYMQQ-HNNXBMFYSA-N 326.465 4.607 30 40 EJEB Oc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 408737445 QXYYROLPVMCBSF-XQNSMLJCSA-N 339.398 4.996 30 40 EJEB C=CCc1cc(CO)cc(OCC)c1OCc1ccccc1Cl 409112051 BQBSBONOKMZEPA-UHFFFAOYSA-N 332.827 4.539 30 40 EJEB CCCCCn1c(/N=C/c2nc3ccccc3n2C)nc2ccccc21 2293953 HQQWOKZDOOXGOK-PXLXIMEGSA-N 345.450 4.864 30 40 EJEB Clc1ccc(CO/N=C(\c2ccc(C3CC3)nc2)C2CC2)cc1 4051312 CWAVAVAKUVHEBC-QOCHGBHMSA-N 326.827 4.943 30 40 EJEB CC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 4740466 TVOMIQVKMUKJGG-HNNXBMFYSA-N 333.218 4.916 30 40 EJEB O=C(O)c1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 4919667 LKQRRAKASWQGLL-CNHKJKLMSA-N 343.597 4.791 30 40 EJEB CCCCCn1nc(C)c(/C=N/Nc2nc3ccccc3s2)c1C 5503197 BAVJTLGVVCNFPE-XDHOZWIPSA-N 341.484 4.746 30 40 EJEB COc1ccc(/C=C/C=C2\CCC(=C3SCCS3)C2=O)cc1 68590838 AUTHNNMTTUQOOK-BYUCVARHSA-N 330.474 4.689 30 40 EJEB Cc1cc(=O)oc2c(C)c3oc(/C(=N/O)c4ccccc4)c(C)c3cc12 4180011 RSFDGQBLUXPPQS-RELWKKBWSA-N 347.370 4.691 30 40 EJEB COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OC)c1O 4921988 AHYWUXNSWCRHBK-PXLXIMEGSA-N 348.402 4.582 30 40 EJEB CC(C)[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 5733276 OBTBUXZQFKXPLD-ZMJSGXAOSA-N 337.423 4.959 30 40 EJEB CCOc1ccc(CSCC/N=C(\S)Nc2ccccc2)cc1 8691675 GYIQBKVNTUGWSU-UHFFFAOYSA-N 346.521 4.716 30 40 EJEB N#CCSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2 13208160 JHLAUJIHBWWFKI-UHFFFAOYSA-N 339.851 4.768 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13708656 KHJTXYQOZIGAII-INIZCTEOSA-N 347.414 4.811 30 40 EJEB Fc1ccc2c(c1)/C(=N/Nc1nc3ccccc3s1)CCS2 35728626 SBZPCSQNAKGXQC-XDHOZWIPSA-N 329.425 4.747 30 40 EJEB Fc1ccc(/N=C/c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 16492121 YSCJVJUQCHGZGZ-HZHRSRAPSA-N 342.377 4.824 30 40 EJEB CCCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 27663179 BICZJWDRADBUTL-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB CCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182582 UMXJWAZDLVQBHI-NDENLUEZSA-N 347.414 4.985 30 40 EJEB C=CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915055 BQXKIYVBCVCFAZ-RZSKGSBASA-N 332.528 4.697 30 40 EJEB C=CCc1cc(/C=N/O)cc(OC)c1OCc1cccc2ccccc12 409067667 PFPMQTNPNRRQMI-OEAKJJBVSA-N 347.414 4.964 30 40 EJEB COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2ccccc2)cc1 5586460 DJVHHMMPKWIKGZ-UHFFFAOYSA-N 332.403 4.894 30 40 EJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1 12428462 KSNOXRWZSAYZRU-FBCYGCLPSA-N 344.676 4.723 30 40 EJEB N#CCc1ccc(OCc2ccccc2NC(=O)c2ccsc2)cc1 55823745 PDZMGKCRAMBZDK-UHFFFAOYSA-N 348.427 4.645 30 40 EJEB O=C(O)c1cc(/N=C\c2ccc(N3CCCCC3)cc2)ccc1Cl 224104770 YXPYLLMUXSRTOJ-BKUYFWCQSA-N 342.826 4.779 30 40 EJEB Oc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 408849566 WSUXYYCPOWYSTE-UNOMPAQXSA-N 341.208 4.696 30 40 EJEB CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](c4cccnc4)C3)c2c1 563054286 WIISYHYAOWRVSV-SFHVURJKSA-N 342.446 4.619 30 40 EJEB CSc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4517626 MDPXPIQCCYOBLT-UHFFFAOYSA-N 342.489 4.863 30 40 EJEB CC(/C=C1\S/C(=N/c2cccc(C)c2)NC1=O)=C\c1ccccc1 6924190 KIBXIHOXVUEGOI-UDUFOJABSA-N 334.444 4.833 30 40 EJEB N#Cc1ccc(CO/N=C/c2ccc(OCc3ccccc3)cc2)cc1 12619530 NZECLDVPCYXUJK-BUVRLJJBSA-N 342.398 4.688 30 40 EJEB CCOc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182588 XTBVLJLFSWOFPC-JAIQZWGSSA-N 333.387 4.676 30 40 EJEB CC[C@H](CNc1oc(-c2ccc(OC)cc2)nc1C#N)c1ccccc1 72238626 JFAVMLSSNFVOMX-OAHLLOKOSA-N 347.418 4.828 30 40 EJEB CCN(C(=O)c1cc(C#N)cs1)c1nc2cc(Cl)ccc2s1 84069575 UCTXCQAQAFLLNA-UHFFFAOYSA-N 347.852 4.550 30 40 EJEB COc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c([N+](=O)[O-])c1 90529791 QFVBZEOTYBPGPQ-DHZHZOJOSA-N 349.342 4.760 30 40 EJEB O=C(/C=N\c1ccccc1)c1ccc(C(=O)/C=N/c2ccccc2)cc1 100369018 FSJLCRBAPVCMPV-REPVBDINSA-N 340.382 4.857 30 40 EJEB N#Cc1cn(C(=O)c2ccc(-c3ccccc3F)o2)c2ccccc12 226361747 ZIEVFJXGUGPTMB-UHFFFAOYSA-N 330.318 4.601 30 40 EJEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408738326 UZFJHVOTUWCASP-HYARGMPZSA-N 332.403 4.631 30 40 EJEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408741328 PDBKZVADRFDGJC-HZHRSRAPSA-N 347.462 4.919 30 40 EJEB CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1c(C)cccc1C 408906230 BDCVFMMQZUOZJF-DCOUVPPESA-N 326.421 4.520 30 40 EJEB C=CCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC 14398834 VVPKCCWOHRCQBZ-UHFFFAOYSA-N 336.218 4.983 30 40 EJEB N#Cc1ccccc1CN1CCc2sccc2[C@@H]1c1cccs1 22064159 CZEUNSAKBRGIGG-LJQANCHMSA-N 336.485 4.829 30 40 EJEB C1=C(NCc2cccs2)c2ccccc2/C1=N\Cc1cccs1 23001903 QXJSPJGHPVBPON-VZCXRCSSSA-N 336.485 4.943 30 40 EJEB COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1OC(F)F 96766567 BQHREAFJHSBSRI-UVTDQMKNSA-N 330.330 4.509 30 40 EJEB CCCCCCCCCCN(CCO)C(=S)Nc1ccccc1 100934496 FQKBDVSSKZVEMH-UHFFFAOYSA-N 336.545 4.818 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 216387544 ONWBMXMCOGXLOG-LJQANCHMSA-N 339.435 4.664 30 40 EJEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)cc1C#N 225848599 DPEOROXFBLCNFT-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB CCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 408916216 WCVFRCHSLKKTGV-BIXZQSIESA-N 336.460 4.927 30 40 EJEB C=CCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 8254155 QBBVAEBGIXLZEQ-UHFFFAOYSA-N 349.833 4.732 30 40 EJEB O=[N+]([O-])c1cccc(/N=C(/c2ccccc2)N(O)c2ccccc2)c1 16954920 WUHBJMQTMSGWFZ-VXPUYCOJSA-N 333.347 4.569 30 40 EJEB O=C(/C=C\c1ccc2ccccc2c1)c1coc2ccccc2c1=O 33378702 XUONVUDEWQZQTR-BENRWUELSA-N 326.351 4.842 30 40 EJEB COC(=O)c1ccc(/C=C2/CCC[C@@H](C3CCCCC3)C2=O)cc1 33380688 MCFAANRGORGRSI-BSKAQADGSA-N 326.436 4.806 30 40 EJEB N#C[C@@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 41502644 MEJYTQLRVWTAQJ-INIZCTEOSA-N 343.411 4.577 30 40 EJEB O=C(/C=C/c1ccccn1)c1cnc(-c2ccc(Cl)cc2)s1 95921745 DQMBLJVEZFPOEK-CMDGGOBGSA-N 326.808 4.755 30 40 EJEB C=C1C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 2049238404 PUCXZBGPUPYKFE-RVEDGADZSA-N 342.479 4.616 30 40 EJEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1ccccc1 567630 CYHVVHAUOXBPBD-UHFFFAOYSA-N 341.410 4.686 30 40 EJEB CCOc1nc2c(c(-c3ccccc3)c1C#N)CCc1ccccc1-2 1016649 GCKDJXVBWKKMRG-UHFFFAOYSA-N 326.399 4.785 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC 8084291 IUEHSAOMFKUGAL-FYJGNVAPSA-N 327.811 4.674 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c(C)c1 12032548 YKRNFADFCFXGBS-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB Cc1ccc2ncc(C#N)c(Nc3ccc(Br)cc3)c2c1 17121976 UGVZQMXGZKEIQC-UHFFFAOYSA-N 338.208 4.921 30 40 EJEB N#Cc1ccc(F)c(CN[C@H](Cc2ccccc2)c2ccccc2)c1 32901354 RSUGHJKOMOHXLA-JOCHJYFZSA-N 330.406 4.771 30 40 EJEB Cc1cc(C)n2c(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cnc2n1 78899221 RQAYQTYJHCXJTD-GQCTYLIASA-N 346.217 4.549 30 40 EJEB CCCCC(=O)C1=C(Nc2ccc(OC)cc2)CC(C)(C)CC1=O 101839974 MTFYMGMSDNRXHN-UHFFFAOYSA-N 329.440 4.510 30 40 EJEB O=C(/C=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1 408621420 MEFGICCLUYIRGI-JXMROGBWSA-N 337.306 4.890 30 40 EJEB Cc1cccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)c1 409055283 YHSYENLHLCEGIN-UZYVYHOESA-N 335.428 4.860 30 40 EJEB Cc1ccc(-n2c(C)cc(C(=O)OCc3ccc(C#N)cc3)c2C)cc1 4297743 IBSYKAVLBKGHHV-UHFFFAOYSA-N 344.414 4.631 30 40 EJEB N#Cc1cccc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 4494966 ZDQHYKICJRQYFI-UHFFFAOYSA-N 347.395 4.536 30 40 EJEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2[C@H](C)CC)c1O 5907521 NSHVFHDPWOAVBL-HMHKGCENSA-N 342.395 4.963 30 40 EJEB FC(F)Sc1ccc(NC(=S)N/N=C/[C@@H]2CC=CCC2)cc1 7783916 BAQCUJGBUTUIAL-VDCVXVNISA-N 341.452 4.630 30 40 EJEB O=C1ON=C(c2ccc(Cl)cc2Cl)/C1=C/C=C/c1ccccc1 12375762 YCKHYAXTROCBIG-GVEAZFNLSA-N 344.197 4.894 30 40 EJEB Cc1cc(C(C)(C)C)cc(C)c1CS/C(N)=N/Cc1ccco1 19672994 AFVIQQHRVKKGEN-UHFFFAOYSA-N 330.497 4.942 30 40 EJEB Brc1ccc(/C=N/Nc2ccc3ccccc3n2)s1 21273853 JDLXNVFEEGDJMO-CXUHLZMHSA-N 332.226 4.505 30 40 EJEB Cc1ccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)cc1 225853014 OMMJLQFBZOYXCP-UHFFFAOYSA-N 349.503 4.817 30 40 EJEB O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1ccc(F)cc1 315512 WLBQRJDLXXBOIK-QGMBQPNBSA-N 327.142 4.715 30 40 EJEB N#C[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 1647922 RBWIHMFKEXHVGZ-JOCHJYFZSA-N 340.426 4.636 30 40 EJEB C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 8765382 ANEJKYXPANLLKX-UFFVCSGVSA-N 345.398 4.749 30 40 EJEB biogenic CC(C)Oc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196977 SCDSTXTUNYOSSP-KEBDBYFISA-N 337.250 4.904 30 40 EJEB C=CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 12977459 XQJGUNPNLPFTOJ-OAHLLOKOSA-N 327.449 4.679 30 40 EJEB CCCCCCCCCCCCNC(=O)CSc1ncccn1 100944056 SLBLCYNXWCXHBD-UHFFFAOYSA-N 337.533 4.606 30 40 EJEB CC(C)(C)Oc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357565 LFWUQNRFAQNTIX-UHFFFAOYSA-N 346.242 4.880 30 40 EJEB CCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 3141073 NXSMOUUWEYAXRW-UHFFFAOYSA-N 329.396 4.659 30 40 EJEB COc1cccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O 4921782 LZQVOTFTKXTCOJ-DNTJNYDQSA-N 344.720 4.519 30 40 EJEB N#Cc1c2c(c(NC3CCCC3)n3c1nc1ccccc13)CCCC2 5454007 FETXIVODANECPQ-UHFFFAOYSA-N 330.435 4.592 30 40 EJEB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(C#N)c3)[nH]2)cc1 9199654 XMIOESMTPRVMII-UHFFFAOYSA-N 348.475 4.933 30 40 EJEB C/C(=N/Oc1cccc(O/N=C(\C)c2ccccc2)n1)c1ccccc1 13394664 RTZIYMDZPVZBOV-JVBWRSBESA-N 345.402 4.688 30 40 EJEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 14257461 DROCCYRLRLSYFQ-DEDYPNTBSA-N 335.432 4.821 30 40 EJEB N#C[C@H](C1=NC=CC[C@H]1C(F)(F)F)c1cccc(C(F)(F)F)c1 95921859 MCLQCZOGSQKPGN-NWDGAFQWSA-N 332.247 4.849 30 40 EJEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1C 225885942 FDZPADTVOJHZGN-UHFFFAOYSA-N 335.382 4.539 30 40 EJEB CC(C)COc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1 408600997 IGSFNJODZVJEKJ-KEBDBYFISA-N 346.814 4.519 30 40 EJEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 218799 GIYOASBCPDYNNG-SSDVNMTOSA-N 349.777 4.999 30 40 EJEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OC 8570809 IHTVDOIMLUYGEA-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB CCOc1nc2c(c(-c3cccs3)c1C#N)CCc1ccccc1-2 12967952 GYPCNEWIQBDSGQ-UHFFFAOYSA-N 332.428 4.846 30 40 EJEB COc1ccc2c(c1)oc1c(-c3cccs3)c(C#N)c(N)c(C#N)c12 23504978 UQDBFJNUFHHISW-UHFFFAOYSA-N 345.383 4.649 30 40 EJEB N#CC1(CCCN2CC=C(c3ccccc3Cl)CC2)CCOCC1 252482723 DMKRPKABIVJMLT-UHFFFAOYSA-N 344.886 4.530 30 40 EJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ncc(Cl)cc1Cl)C2 351926 NBHNPIBOELDRAF-QFYYESIMSA-N 325.239 4.709 30 40 EJEB C[C@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccccc2)cs1 90117554 LHLHCIWUUWNFJS-ZDUSSCGKSA-N 337.423 4.672 30 40 EJEB C=CCOC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216849945 GVDASPMSDDRVAU-UHFFFAOYSA-N 337.202 4.915 30 40 EJEB C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(Cl)c1 219801299 XDCUQBQWDVFALY-UHFFFAOYSA-N 333.840 4.879 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@]5(CO5)[C@@]4(C)CC[C@H]32)C1 36542289 PQMPPACKUYBMIW-ZUHHCLADSA-N 346.511 4.707 30 40 EJEB Oc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1 59461329 PEXABUKWOVYAIC-SGNWVPJISA-N 338.388 4.583 30 40 EJEB C=CC[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccncc1 71909248 NCCNMNLFSDIGGL-INIZCTEOSA-N 348.406 4.539 30 40 EJEB O=C(/C=C/c1ccco1)Nc1ccc(/C=C/C(=O)c2cccs2)cc1 4695695 REBAXFANQMHLQT-CRALUGIISA-N 349.411 4.889 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 7939577 KFPWGAQQSQALSP-ZRDIBKRKSA-N 348.354 4.550 30 40 EJEB N#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1 17995719 CPKWIIGGNSBNSB-RYQLWAFASA-N 334.382 4.931 30 40 EJEB Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1 225854203 AVDYPEAERVRSCZ-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB CCN(CC)c1ccc(/C=C2\CC/C(=C(/O)C(F)(F)F)C2=O)cc1 409359511 ORKIVXOAIYACHZ-DRLKJCQWSA-N 339.357 4.654 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1ccccc1N1CCCC1 569750 YYKOWEUIOAITQM-XDHOZWIPSA-N 345.240 4.506 30 40 EJEB N#Cc1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCCC2 572676 NTFPHFDEZSCPFN-UHFFFAOYSA-N 330.840 4.794 30 40 EJEB c1ccc(/C(=N/Nc2nc3ccccc3s2)c2ccccn2)cc1 5706507 YAMFSZLGGBDHDG-PYCFMQQDSA-N 330.416 4.556 30 40 EJEB in-vitro O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 13476721 CXISUUDCBXKVAA-ODLFYWEKSA-N 341.754 4.954 30 40 EJEB C=CC[n+]1c(-c2ccccc2)csc1Nc1cccc([N+](=O)[O-])c1 26570128 YKTDBFRNXMIPFJ-UHFFFAOYSA-O 338.412 4.540 30 40 EJEB C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 33734521 KDWOWEXNJPDUKG-CDJZJNNCSA-N 326.480 4.859 30 40 EJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C#N)C1 5902799 VGGAFJPLVRJOMV-NSHDSACASA-N 328.437 4.616 30 40 EJEB O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 59518419 MMGBLEWJLOLOEX-FRKPEAEDSA-N 340.122 4.560 30 40 EJEB CCN(CC)c1ccc(/C=C2/Sc3ccccc3C2=O)c(OC)c1 408718520 UTHHAFHOJSHFPT-XDHOZWIPSA-N 339.460 4.871 30 40 EJEB O=C1C=C(c2ccc(Br)cc2)C[C@@H](c2ccccc2)C1 1469186 KQFNBFDHOBXGFI-OAHLLOKOSA-N 327.221 4.979 30 40 EJEB O=C(C[n+]1cccc2cc(Cl)ccc21)c1ccc2ccccc2c1 1667308 APWUVRCTUKHQOU-UHFFFAOYSA-N 332.810 4.817 30 40 EJEB O=C(/C=C/C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1 4113380 FRSHKQXKNOESRB-OUKQBFOZSA-N 338.362 4.520 30 40 EJEB Cn1/c(=N\N=C2\C=C3CCCC[C@@]3(C)CC2)sc2ccccc21 5551179 IUZHEHZKBGVLLY-PLKZMIJWSA-N 325.481 4.797 30 40 EJEB CCC(/C=N/NC(=S)Nc1ccc(SC(F)F)cc1)CC 6407409 PACQHMULMVYICF-RQZCQDPDSA-N 331.457 4.710 30 40 EJEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 8371975 SDCKLENXOVKGRH-HZHRSRAPSA-N 344.414 4.763 30 40 EJEB COc1cccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c1 12862891 NJTJKPVGLHWUBC-NDENLUEZSA-N 336.387 4.656 30 40 EJEB biogenic COc1ccc(-c2cc(-c3ccc(Cl)s3)nc(N)c2C#N)cc1 19095799 DYOPHMVJTYDODD-UHFFFAOYSA-N 341.823 4.593 30 40 EJEB CCc1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 20841170 BVFDIQLHFZTCQA-UHFFFAOYSA-N 337.492 4.696 30 40 EJEB Cc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1 59224290 ZEBCGOKGQQZGIX-SXGWCWSVSA-N 342.851 4.848 30 40 EJEB CCc1ccc(/N=C2/S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1 100299891 JFQMFQZKSTXVSI-HWWZFDGNSA-N 340.423 4.622 30 40 EJEB C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OCC 107940826 JCNPYDZRANNTAK-UHFFFAOYSA-N 345.826 4.864 30 40 EJEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225803094 FCMBYOTZCPFRHU-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)cc1 5568911 AKIVUVAVLHCYFV-PXLXIMEGSA-N 333.435 4.939 30 40 EJEB CCCOc1ccccc1/C=N/NCc1c(Cl)cccc1Cl 9196731 KBCDZOUDIQTZTN-RGVLZGJSSA-N 337.250 4.906 30 40 EJEB COc1ccc2c(c1)CC/C(=C/c1csc(-c3ccco3)n1)C2=O 96401872 JZPREMLJXSBLID-LCYFTJDESA-N 337.400 4.624 30 40 EJEB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\c1ccccc1 100929248 HUPHWQUDGVYBDD-MRCUWXFGSA-N 336.460 4.952 30 40 EJEB CCCCCCCCNc1ncnc2sc(C(=O)OCC)c(C)c12 101460972 KAQWLUHRGGSSBS-UHFFFAOYSA-N 349.500 4.949 30 40 EJEB C=CCSc1ccccc1C(=O)NCCSCc1ccccc1 219799133 NBMJYOVAWILFGT-UHFFFAOYSA-N 343.517 4.628 30 40 EJEB Brc1ccc(-n2cccc2/C=N\C2CCCCC2)cc1 408813963 FKWHWGBWJVWTDB-UYRXBGFRSA-N 331.257 4.991 30 40 EJEB O=[N+]([O-])c1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1O 408962852 KHEQGAFLKFEZNZ-DEDYPNTBSA-N 333.347 4.795 30 40 EJEB C=CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 3669304 PHNZOFMILVFHQT-UHFFFAOYSA-N 346.459 4.500 30 40 EJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/Nc2ccccc2)cc1OC 6707241 CJUVMLZXHASBRA-DZUMZMOTSA-N 332.831 4.972 30 40 EJEB O=C(/C=C/c1cccs1)c1cccc(NC(=O)c2cccs2)c1 59432287 IMEUGPFNGUCIQH-CMDGGOBGSA-N 339.441 4.958 30 40 EJEB COc1ccc(/C=N/CC23CCC4C[C@@H](C[C@H](C4)C2)C3)c(OC)c1 104476801 LKOZLBTWDRHVLC-SWTOTASFSA-N 327.468 4.729 30 40 EJEB N#CC1(CCCSc2nc3cc(Cl)ccc3o2)CCOCC1 225569300 BYQOHPJUQLFPPV-UHFFFAOYSA-N 336.844 4.674 30 40 EJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccccc1 408749051 KPLDFZNZUZOXRK-RIYZIHGNSA-N 349.242 4.885 30 40 EJEB CCSC(=Nc1nc2ccc(NC(C)=O)cc2s1)SCC 1573747 OBDOSKMWFHHMFL-UHFFFAOYSA-N 339.511 4.748 30 40 EJEB Oc1ccc2ccccc2c1/C=N\N=C\c1c(O)ccc2ccccc12 4787600 SYRBOMODLUADBZ-NQGGHMMCSA-N 340.382 4.857 30 40 EJEB COc1ccccc1/C(C)=N/Nc1ncc(C(F)(F)F)cc1Cl 5517038 XDMQQJCFQGQDDO-ZVBGSRNCSA-N 343.736 4.599 30 40 EJEB COCCCN1C(=O)CS/C1=N\c1c(C(C)C)cccc1C(C)C 36611302 WFCDJFLJUVGHCT-VXPUYCOJSA-N 348.512 4.533 30 40 EJEB CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc21 113813310 KQAMVWOHKBGMQP-UHFFFAOYSA-N 343.426 4.781 30 40 EJEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c(C)c1 408782362 HHJBQDPBNYRPFC-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB Cc1ccc(/C=C2/S/C(=N\c3ccc4ccccc4c3)NC2=O)o1 8413642 DCBUJUOQTUGQGF-GZTJUZNOSA-N 334.400 4.633 30 40 EJEB Oc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 9553404 GCCQQTFHRWOFST-XQNSMLJCSA-N 339.398 4.996 30 40 EJEB N#CC1(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CCC1 84514575 XTDXHSVDPSWERE-VQHVLOKHSA-N 342.851 4.644 30 40 EJEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N 225675874 PBCKKMSAZFMXBM-UHFFFAOYSA-N 348.446 4.796 30 40 EJEB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N 225841199 SLHWMUXWXLCRSV-FQEVSTJZSA-N 346.471 4.515 30 40 EJEB Clc1ccc(/N=C\c2ccccc2I)cc1 408551647 OVFMBQPZNZRUCR-SXGWCWSVSA-N 341.579 4.695 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 408667030 PXCGLNDHSCWXOK-ZRDIBKRKSA-N 348.354 4.550 30 40 EJEB O=[N+]([O-])c1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1Cl 408959729 DTRPUSYUFOQMFN-XDHOZWIPSA-N 329.787 4.599 30 40 EJEB CCOc1ccc(/N=C/c2cc(Br)ccc2OC)cc1 438494 FSVNRJIHGGTATK-WOJGMQOQSA-N 334.213 4.607 30 40 EJEB FC(F)(F)c1ccc(NN=C2c3ccccc3-c3ccccc32)nc1 4703515 HKMAYNLEYKNQOZ-UHFFFAOYSA-N 339.320 4.945 30 40 EJEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cccc([N+](=O)[O-])c1 5163810 WVNMQAJLALKQQS-RGVLZGJSSA-N 340.770 4.633 30 40 EJEB CCCC/N=C1\S/C(=C\c2ccccc2OC)C(=O)N1CCCC 5552188 ZOTWPOWMQJQBJO-DCBMACRLSA-N 346.496 4.568 30 40 EJEB CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 6048572 WZEQJQKPLCSNQF-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccccc1F 35647289 MLFDBBWDKJBFAU-LDADJPATSA-N 348.402 4.871 30 40 EJEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(-c3ccccc3)ccc1O2 40545928 NBULCMKBRVZTCL-NRFANRHFSA-N 333.387 4.651 30 40 EJEB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3cccc(F)c3C#N)n2)c1 75094649 CUYOKYBHVYWIAH-FQEVSTJZSA-N 346.409 4.737 30 40 EJEB C=CCn1c(=S)[nH]c2cc(-c3cccc(Cl)c3)sc2c1=O 96361351 CYXDLORSJIGWFA-UHFFFAOYSA-N 334.853 4.627 30 40 EJEB COc1ccc(/C=N/c2nc3ccc(Br)cc3s2)cc1 50176 NDPOBVIQBWEZJI-RQZCQDPDSA-N 347.237 4.818 30 40 EJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(C)cc1 2447105 MJJVZKJXEUSQJK-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB Cc1csc(N/N=C/c2ccccc2OCc2ccc(F)cc2)n1 4423930 IJGBTRGLPBOGFE-KEBDBYFISA-N 341.411 4.616 30 40 EJEB CCCC/N=C1\S/C(=C\c2ccccc2F)C(=O)N1CCCC 5552219 CPOWHFVVXQXRDW-ISRZJSKBSA-N 334.460 4.698 30 40 EJEB C=C(C)COC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12766434 OILMYGQCXHESSO-UHFFFAOYSA-N 334.371 4.501 30 40 EJEB N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 14237099 WINSRFVIGICYAD-KRWDZBQOSA-N 347.443 4.535 30 40 EJEB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(C#N)cc1 31335548 GVSHHTVLNZHXGT-LLVKDONJSA-N 333.218 4.698 30 40 EJEB Cc1cc2c(cc1C(=O)C[n+]1ccccc1)C(C)(C)C[C@@H](C)C2(C)C 72334045 GXORLJPEESVDAA-QGZVFWFLSA-N 336.499 4.760 30 40 EJEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 523693 ARYNUZVQGHJHCT-UHFFFAOYSA-N 331.828 4.670 30 40 EJEB O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccccc1 12960217 SYRGTPSMZLIWPI-GRSHGNNSSA-N 337.206 4.525 30 40 EJEB CC[C@@H](C)Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19794129 YZMXUTBKUFMDPB-SNVBAGLBSA-N 332.860 4.601 30 40 EJEB CCCCCCCCCCCCCCCC[N+](C)(CCO)CCO 100041466 JYWAVOMMQHIDEU-UHFFFAOYSA-N 344.604 4.899 30 40 EJEB CCCCCCCCCCCCNC(=S)SCCC(=O)O 104358898 JZGXHXBFKQVVSM-UHFFFAOYSA-N 333.563 4.990 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccccc2)c1 225481749 SYDAFLVLZKPTRJ-GOSISDBHSA-N 326.465 4.689 30 40 EJEB Cc1ccc(N(C)/N=C2/C=C(c3cccc4ccccc34)OC2=O)cc1 408727860 YFADXDQSMAIXHB-ATJXCDBQSA-N 342.398 4.538 30 40 EJEB C=CCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 8254681 NMBFDNPOCFJABY-UHFFFAOYSA-N 331.843 4.593 30 40 EJEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)s1 15015831 FQQDKDNNSDSKTR-JYRVWZFOSA-N 334.853 4.602 30 40 EJEB COc1cccc(/C=N\c2nc(-c3ccccc3Cl)cs2)c1O 17128831 CGVOIROFGCICEB-OCKHKDLRSA-N 344.823 4.928 30 40 EJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(F)cc2)S1 59224283 ROARXNMWOAGQLT-NVNXTCNLSA-N 346.814 4.679 30 40 EJEB C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1cccnc1 96313915 MJITWKZRUFJVTF-MFKUBSTISA-N 339.402 4.528 30 40 EJEB CCCCCCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 97965667 MOELZJRPNLDIRU-SDNWHVSQSA-N 342.527 4.595 30 40 EJEB CCO/C=N/c1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccccc1 100350671 KMZHLUOOEKXSMG-HZHRSRAPSA-N 345.402 4.721 30 40 EJEB COc1cccc(/C=N/Nc2nc(-c3cc(C)ccc3C)cs2)c1 4957158 PKVIWNGTSBUJST-RGVLZGJSSA-N 337.448 4.882 30 40 EJEB Cc1cc(N/N=C/C=C/c2ccc(N(C)C)cc2)c2ccccc2n1 41127779 ORGMVCQWBGDJPT-WVBMQZLASA-N 330.435 4.720 30 40 EJEB C=CCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC 408705787 NLUHDXHJTPUQMI-UHFFFAOYSA-N 336.218 4.983 30 40 EJEB COc1ccccc1N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 479570 YPHQTERQIMBMOV-NRFANRHFSA-N 344.414 4.951 30 40 EJEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)c1ccccc1 1439228 IMUWMNSDDGASPT-UHFFFAOYSA-N 336.441 4.657 30 40 EJEB N#Cc1ccc(-c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)cc1 24052666 BBILZNNBMFDLFQ-UHFFFAOYSA-N 341.292 4.826 30 40 EJEB N#Cc1cn(-c2ccc(Br)cc2Cl)c2ccccc12 95915886 ZOXRNHXJTWGUFI-UHFFFAOYSA-N 331.600 4.918 30 40 EJEB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)Cl 221551563 GYAMNQSGYOCEEE-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccc(Cl)cc1 225887956 ZQIVAVUWDDYGBG-UHFFFAOYSA-N 339.851 4.795 30 40 EJEB Cc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)c(C)c1 221986 JJULXKQOERBVRE-MDZDMXLPSA-N 330.225 4.874 30 40 EJEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 5214062 LERQDSBWHWLNER-PKNBQFBNSA-N 337.306 4.890 30 40 EJEB C=CCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 12811064 RUHQZSXDDLVUJC-UHFFFAOYSA-N 340.473 4.504 30 40 EJEB Cc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 13548752 XNVBSLMNMDEIHN-XNTDXEJSSA-N 328.824 4.540 30 40 EJEB C/C(CCC1CCCCC1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16951795 GIAGVLFHPOXNQL-SFQUDFHCSA-N 334.376 4.651 30 40 EJEB C=CCSc1ccccc1C(=O)NCCCc1cccc(C)c1 219812410 KBOJPEBSPXXLOR-UHFFFAOYSA-N 325.477 4.636 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)c(C)c2)o1 226256600 XYSORBCMSWIKIL-RMKNXTFCSA-N 347.208 4.760 30 40 EJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408709843 XVDPCXFPMVQKSS-UHFFFAOYSA-N 346.515 4.789 30 40 EJEB O=C(O)c1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 409217881 XYUVQDGZVKNOCE-HMAPJEAMSA-N 331.371 4.714 30 40 EJEB CCCCCCCCOc1ccc(NC(=O)c2ccc(=O)oc2)cc1 2428961 JEBIMLWTAHHMBY-UHFFFAOYSA-N 343.423 4.631 30 40 EJEB C=CCOc1cc2c(cc1[C@@H](CC)c1ccc(OC)cc1)OCO2 6002077 BNYAKCHYWDHNEA-INIZCTEOSA-N 326.392 4.531 30 40 EJEB N#Cc1ccc(OCc2nc3ccccc3nc2-c2ccccc2)cc1 16492035 ZABSSPWIOXSPML-UHFFFAOYSA-N 337.382 4.747 30 40 EJEB C=C1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253617490 PUCXZBGPUPYKFE-ITGARAMISA-N 342.479 4.616 30 40 EJEB Cc1ccccc1N(C)/N=C1/C=C(c2cccc3ccccc23)OC1=O 408727385 WFCCJWRKSDEPOF-NMWGTECJSA-N 342.398 4.538 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)c(Cl)c1 408743169 ZNWYBONXOMTYGV-DGURAOSJSA-N 346.217 4.735 30 40 EJEB COc1ccc(C)cc1N/C=C/C(=O)c1ccc(Br)cc1 409075215 XMAXFGNNMPLKBY-MDZDMXLPSA-N 346.224 4.575 30 40 EJEB CCOc1ccc(Cl)cc1/C=N/c1ccc(C(=O)OC)cc1C 409102414 SRWVNRWRVUUUEX-RGVLZGJSSA-N 331.799 4.584 30 40 EJEB COC(=O)c1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1 409372129 LOGHHHYBNJHYOR-GHRIWEEISA-N 344.366 4.556 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/CC23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 2474013 NJCJAKASTATRHD-AMTDGXNSSA-N 332.831 4.592 30 40 EJEB N#Cc1ccccc1COC(=O)c1c(Cl)ccc(Cl)c1Cl 7152270 AMHRUKZUEZHJNI-UHFFFAOYSA-N 340.593 4.875 30 40 EJEB N#C[C@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2F)cc1 64220270 WEHVYOPCJBDJAK-IBGZPJMESA-N 333.337 4.851 30 40 EJEB CCOc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@H](C)CC3(C)C)cc1 1411138 AIARKZGOCSLINZ-BUABVIFSSA-N 348.446 4.839 30 40 EJEB N#CCCN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 2625173 KOWXWTFCHMTWJZ-UHFFFAOYSA-N 348.830 4.518 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C#N)C1 3306446 IXYBXBGHUYGHCV-MRVPVSSYSA-N 336.869 4.712 30 40 EJEB CC(Nc1ccc(C)cc1)=C1C(=O)CC(c2ccc(F)cc2)CC1=O 4741430 FTCTWVFVBVKKTE-UHFFFAOYSA-N 337.394 4.536 30 40 EJEB O=[N+]([O-])c1ccc(/N=C/C(Br)=C/c2ccccc2)cc1 4977780 BMOUGCMKCIHZIS-HLXADAOKSA-N 331.169 4.733 30 40 EJEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC=C(C(C)C)[C@H]4O[C@@]34CC[C@H]21 5103191 GJXHDHSFRNFOKH-AZUBXHIKSA-N 332.484 4.506 30 40 EJEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1 6256383 SBAGVORTYNYIGS-UFFVCSGVSA-N 349.789 4.560 30 40 EJEB Cc1cccc(/N=C(/N)SCc2cc(F)cc3cccnc23)c1 84210112 OUTAKADGXVZIHQ-UHFFFAOYSA-N 325.412 4.562 30 40 EJEB ON=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 254394977 BNWQNTUYGZZTTP-UHFFFAOYSA-N 332.606 4.655 30 40 EJEB Cc1cc(C)c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C 575359185 XGSUKPMTDBEFMP-UHFFFAOYSA-N 330.243 4.936 30 40 EJEB CC[C@H]([C@@H](C)c1ccc(OC)cc1)[C@@H](C=O)c1ccc(OC)cc1 888086481 UWBBNODFLSXEEO-RVHYNSKXSA-N 326.436 4.816 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2cccc(Br)c2)c1 8570606 SIQASIPVTYRCRR-UHFFFAOYSA-N 346.224 4.656 30 40 EJEB COc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9196789 QCEFNHQYPROTGR-UFWORHAWSA-N 343.641 4.779 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2OC)cc1 51318906 ILBPQPYUAVGGJW-ZHACJKMWSA-N 331.799 4.556 30 40 EJEB Brc1ccc(-n2cccc2/C=N/c2ccccc2)cc1 59249935 RZUCMNDGEZUKMY-CPNJWEJPSA-N 325.209 4.990 30 40 EJEB C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)ccc1OC 218659198 BBOTZQBIMHBGDM-FQEVSTJZSA-N 337.463 4.922 30 40 EJEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1 225888562 BPNPFHXLUVDGEF-UHFFFAOYSA-N 337.423 4.589 30 40 EJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/Nc2ccccc2)cc1OC 6678240 CJUVMLZXHASBRA-HMHKGCENSA-N 332.831 4.972 30 40 EJEB C=CCOc1ccc(NC(=O)CCSCc2ccccc2)cc1 13688136 QLYJXTHTWLWKDC-UHFFFAOYSA-N 327.449 4.513 30 40 EJEB C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 248153916 HPQKNJHVWUWAOR-LBBLDFNBSA-N 336.472 4.741 30 40 EJEB biogenic,in-vitro Cc1cccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 408762080 MTNOOUNGUULELS-AOIWGVFYSA-N 331.375 4.601 30 40 EJEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC=C(C(C)C)[C@H]4O[C@]43CC[C@H]21 5103190 GJXHDHSFRNFOKH-UVDNHOMYSA-N 332.484 4.506 30 40 EJEB Cc1cc(/C=N/n2c(C)nnc2S)c2c(C)ccc(C(C)C)cc1-2 8227748 WODLDBYJIYWGGF-KEBDBYFISA-N 338.480 4.602 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 30866013 SKFDIDLFWUGXDW-QGZVFWFLSA-N 345.826 4.701 30 40 EJEB CCCCc1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59678288 GKPLRCNORZDQOH-CIAFOILYSA-N 345.826 4.897 30 40 EJEB Fc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408956055 ZSSAWMQHELBGNP-GIDUJCDVSA-N 346.981 4.694 30 40 EJEB CCCC(=O)Nc1ccc(CNc2cccc(Cl)c2C#N)cc1 603861292 NLBNNRLCITZCRJ-UHFFFAOYSA-N 327.815 4.562 30 40 EJEB Cc1ccccc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 1079483 HVJWGOLDFHWXCY-SFHVURJKSA-N 349.405 4.662 30 40 EJEB Cc1ccc(C[C@H](C#N)Sc2nnc(C3CCCCC3)o2)cc1 6606980 BPIRKPYRNILOLF-MRXNPFEDSA-N 327.453 4.653 30 40 EJEB N#Cc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 7734781 SVOMFOSCNDPVOC-HXUWFJFHSA-N 346.817 4.731 30 40 EJEB Oc1ccc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 17068727 QCPVYKCNLATNDI-VXLYETTFSA-N 334.257 4.542 30 40 EJEB CCCOc1ccccc1/C=N/Nc1nc2ccccc2nc1Cl 32647116 ZUWNIKMGOYRDKH-UDWIEESQSA-N 340.814 4.518 30 40 EJEB Oc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1 59461331 PEXABUKWOVYAIC-JURCDDRXSA-N 338.388 4.583 30 40 EJEB C/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(Cl)cc1 5694394 OTPQMUPNVWBHEM-DEDYPNTBSA-N 331.872 4.667 30 40 EJEB COc1ccc(C(=O)/C=C/Nc2ccccc2C(C)(C)C)cc1OC 32100267 QQIPYNAHNGEAHD-OUKQBFOZSA-N 339.435 4.810 30 40 EJEB CC[C@@H]1C=CC(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)=CC1 256055807 VAWOPEKUMPFYAO-PWDRBQJJSA-N 338.476 4.950 30 40 EJEB CCCCOC(=O)Oc1ccc(C=Nc2ccc(OC)cc2)cc1 299888847 ZTSMITACMWLMNG-UHFFFAOYSA-N 327.380 4.761 30 40 EJEB COc1ccccc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408960095 JJWOPJVSQJCNRH-CIAFOILYSA-N 335.359 4.712 30 40 EJEB CC(C)(C)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 575357820 UCWOXJKXPBUXSN-UHFFFAOYSA-N 330.243 5.000 30 40 EJEB CCC[C@H]1CCc2c(sc(NC(=O)Cc3cccs3)c2C#N)C1 372280 KKOAGQWRWMJMHQ-LBPRGKRZSA-N 344.505 4.767 30 40 EJEB Cc1ccc(NC=C2C(=O)CC(c3ccccc3Cl)CC2=O)cc1 477810 WXYHPRJGXZBFQL-UHFFFAOYSA-N 339.822 4.660 30 40 EJEB CC(C)(C)C1CCC2(CC1)[C@@H](C(=O)c1ccc(F)cc1)C2(C#N)C#N 481863 KNHCBGXWHJQQET-RVSXGSNBSA-N 338.426 4.894 30 40 EJEB CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)cc1 11798116 GCIUSDBJTTXWJO-DJKKODMXSA-N 340.206 4.779 30 40 EJEB CC/C(=N\Nc1ccc(F)cc1)c1ccc(Br)cc1O 36040056 YBTPGAKOWHNJQJ-XMHGGMMESA-N 337.192 4.520 30 40 EJEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)N=C2C1=C(O)c1ccccc12 103865191 OBUZWNWRVVFPIW-LJQANCHMSA-N 341.410 4.871 30 40 EJEB Cc1ccc(-n2cccc2/C=N/OCc2ccccc2C#N)cc1Cl 408595136 KPFGPKHCUMSSFM-YDZHTSKRSA-N 349.821 4.862 30 40 EJEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408773730 LULVZXISCYLWQK-CIAFOILYSA-N 337.354 4.892 30 40 EJEB Clc1ccc(/C=N\c2ccccc2I)s1 408965194 HEQCWORCVAVKAJ-AUWJEWJLSA-N 347.608 4.757 30 40 EJEB C=C(C)COc1cc(OCC(=C)C)c2c(c1)oc(=O)c1ccccc12 389356 NNICQMBEDDIGNZ-UHFFFAOYSA-N 336.387 4.856 30 40 EJEB CCc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 5551591 ZHVAJTQMDSCHEY-PDGQHHTCSA-N 336.460 4.757 30 40 EJEB CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1Br 6963912 QPKGVKMPRRHNOK-WOJGMQOQSA-N 334.213 4.607 30 40 EJEB COc1ccccc1/C=C/c1nc(C#N)c(N[C@@H](C)c2ccccc2)o1 8534290 QIABOEBQGDPUSK-LHNRBYRGSA-N 345.402 4.898 30 40 EJEB COc1ccc(CN/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 15228384 UKOKXBLNSIVVEN-FOCLMDBBSA-N 343.426 4.848 30 40 EJEB CC(C)c1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 20827294 RTFVUZIPGXIUBR-UHFFFAOYSA-N 327.472 4.673 30 40 EJEB COc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1OC(C)C 41127774 JJSMLSGCKDMJAK-LPYMAVHISA-N 349.434 4.785 30 40 EJEB COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1 408622540 PXNCCSXLTBELEE-ACCUITESSA-N 332.355 4.629 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/O)CC[C@H]32)C1 1857795296 QLSVFSSDFUXCHZ-RARQYGQSSA-N 345.483 4.711 30 40 EJEB O=C1CCCC2=C1[C@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 128680 LERPWBLFAPTXOQ-FPTDNZKUSA-N 330.431 4.892 30 40 EJEB CCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC 2091587 ICTNZPATGWHEJL-LDADJPATSA-N 326.417 4.814 30 40 EJEB Clc1ccc(-c2csc(N/N=C/c3ccccn3)n2)c(Cl)c1 4603372 QIEBXAOFFZLTDB-UFWORHAWSA-N 349.246 4.958 30 40 EJEB Cn1/c(=N/C(=N/c2ccccc2)c2ccccc2)sc2ccccc21 5173941 WAJIMYZBVUCAJN-JKZRTEGISA-N 343.455 4.919 30 40 EJEB C=CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 58024071 ADMHJHRCUMYGIM-UHFFFAOYSA-N 341.867 4.790 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1 225538018 NAELEZJHPBTWEM-MRXNPFEDSA-N 340.492 4.916 30 40 EJEB O=C(O)c1ccc(Cl)c(/N=C\c2ccc(N3CCCCC3)cc2)c1 408859075 VWGRHMKSLPRRRA-BKUYFWCQSA-N 342.826 4.779 30 40 EJEB C#CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br 409217891 YDQUUYVCMZVPRO-UDWIEESQSA-N 342.236 4.829 30 40 EJEB C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790856 QGYMVZWBJYOZJN-UHFFFAOYSA-N 330.844 4.606 30 40 EJEB COc1cc(OC)c(N/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 44844244 QRCSZTPYWGVJMX-BQYQJAHWSA-N 345.826 4.783 30 40 EJEB Cc1c(C)c(C#Cc2ccncc2)c(C)c(C)c1C#Cc1ccncc1 90375488 IDJIUEOEJRHYRR-UHFFFAOYSA-N 336.438 4.510 30 40 EJEB CCOc1cc(/C=N\Nc2ccccn2)ccc1OCc1ccccc1 408730942 WTODNGUOYOJFRV-HAHDFKILSA-N 347.418 4.505 30 40 EJEB C=C[C@](C)(Cc1cccc2ccccc12)NC(=S)N1CCCCC1 91252 YOCIIUHSMJEKCC-OAQYLSRUSA-N 338.520 4.687 30 40 EJEB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 4743440 TXNRRTVCPLKVLB-UABXKGGGSA-N 331.500 4.776 30 40 EJEB C/C(=N\Nc1ncc(Cl)cc1Cl)c1ccc(OC(F)F)cc1 6513031 HVIPQVMDUIGIKT-DNTJNYDQSA-N 346.164 4.826 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2ccc(Cl)cc2Cl)nc1 6866463 PBEHTPDUJZMULK-CGOBSMCZSA-N 334.128 4.853 30 40 EJEB C=C(C)c1cccc(C(C)(C)NC(=O)c2c(C)cc3ccccn23)c1 13014983 KRISEWJFZBSVIH-UHFFFAOYSA-N 332.447 4.946 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708654 KHJTXYQOZIGAII-MRXNPFEDSA-N 347.414 4.811 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20460959 IYGVYFFUTSXCRY-MRXNPFEDSA-N 339.435 4.781 30 40 EJEB Cc1nc(SC/C(O)=N/[C@@](C)(C#N)C(C)C)n(C2CCCC2)c1C 23071542 SEBUKRMOSOQPRP-SFHVURJKSA-N 348.516 4.602 30 40 EJEB FC(F)(F)c1ccccc1N/N=C/c1c(Cl)nc2sccn12 40161286 GZKIVXSFGSMEHI-CNHKJKLMSA-N 344.749 4.514 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cc(C)ccc1C 409096951 MQQLXDMGQPAABO-HMAPJEAMSA-N 338.451 4.671 30 40 EJEB CCc1ccc2nc(SCC(=O)c3ccc(C)cc3)c(C#N)cc2c1 411059 MEUREIXKSWMMLV-UHFFFAOYSA-N 346.455 4.952 30 40 EJEB N#CCCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 2356633 ORXXCMUOLXWOBQ-UHFFFAOYSA-N 339.367 4.706 30 40 EJEB CCOc1ccccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 3291891 ZMSUADCSOYEYSS-UHFFFAOYSA-N 343.382 4.843 30 40 EJEB C[C@@H]1C[C@H](/C(O)=N/[C@@H](COc2ccccc2F)C(C)(C)C)CCC1=O 328990203 SBKUZQVTYIWBPS-LBTNJELSSA-N 349.446 4.581 30 40 EJEB Cc1ccc(N/N=C\c2c(C)nn(-c3ccc(C)cc3C)c2C)cc1 408996669 MIDHNPWGHFLQLV-XKZIYDEJSA-N 332.451 4.860 30 40 EJEB C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCCO)cc1O 535386106 ZKGKOAJUWMGRFB-ZWKOTPCHSA-N 330.468 4.819 30 40 EJEB in-vitro O=C(/C=C/c1ccc2ccccc2c1)c1coc2ccccc2c1=O 5280539 XUONVUDEWQZQTR-ZRDIBKRKSA-N 326.351 4.842 30 40 EJEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1O 6958595 XNBXHIPCONKLOT-VXLYETTFSA-N 348.240 4.921 30 40 EJEB CCCN(CCC)c1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1 12521583 QGKOCGXQXTYGJA-SAPNQHFASA-N 335.447 4.841 30 40 EJEB N#CCc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 15029083 ISGBOGBQOFURFG-UHFFFAOYSA-N 344.867 4.917 30 40 EJEB S=C(Cc1ccccc1)NN=C(c1ccccc1)c1ccccc1 59366470 DWTVXPYNRSRYBP-UHFFFAOYSA-N 330.456 4.599 30 40 EJEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc(F)cc3)ccc21 544120 MPDJMQMNLWQSIA-ODLFYWEKSA-N 336.318 4.614 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C/c2c3ccccc3cc3ccccc23)nc1 4047963 NAZWXVWMNBPKEN-LPYMAVHISA-N 342.358 4.742 30 40 EJEB Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 13733842 FQGNZZAQKNTFJS-HNNXBMFYSA-N 349.217 4.854 30 40 EJEB N#Cc1ccccc1CN1CCc2sccc2[C@H]1c1ccccc1 15033920 SEBVBMHBLSDEAM-OAQYLSRUSA-N 330.456 4.767 30 40 EJEB Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[nH]2)o1 55104068 PKKRTKHPHFSYDU-UHFFFAOYSA-N 332.403 4.780 30 40 EJEB COC1(OC)CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]23CO3)C1 253501303 PQMPPACKUYBMIW-LDIYZUBKSA-N 346.511 4.707 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253617210 BQXKIYVBCVCFAZ-AABPEDEVSA-N 332.528 4.697 30 40 EJEB O=[N+]([O-])c1cc(/C=N\c2ccccc2Br)ccc1Cl 409107975 UQPJFNPIAAAWKV-PXNMLYILSA-N 339.576 4.761 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CF 4655132 NWJJZHDRVSKTBB-YFWFAHHUSA-N 332.459 4.673 30 40 EJEB biogenic,in-vitro COc1ccc2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc2c1 6581256 NAJDBZARIDQMRZ-BJMVGYQFSA-N 348.398 4.762 30 40 EJEB COc1cc(Br)c(O)c(/C=N/c2ccc(C)c(C)c2)c1 100318564 WEWIABSQOBHPSC-GIJQJNRQSA-N 334.213 4.531 30 40 EJEB COc1cc(C)c(/C=N/c2ccc(Br)cc2)cc1OC 408549818 ZPYVCZGJDJDLKD-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB O=[N+]([O-])c1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 409209329 FUCUWQSUTHVBHC-STZFKDTASA-N 332.359 4.924 30 40 EJEB CCN(CC)[P+](Cc1ccccc1)(N(CC)CC)N(CC)CC 5002945 DTJOOFLVRFWQIJ-UHFFFAOYSA-N 338.500 4.975 30 40 EJEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 13770249 QYZYGSAVIMRBFG-GDNBJRDFSA-N 342.416 4.624 30 40 EJEB CN(C)c1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)cc1 15924497 HVKUFCBOLBFQJG-QJOMJCCJSA-N 329.447 4.793 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2cccc(C(F)(F)F)c2)cc1 51318875 PVWFAPVAVNUVFN-ZHACJKMWSA-N 335.325 4.913 30 40 EJEB CCCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)CC1=O 100730384 DKQMQDONYLTDGD-UHFFFAOYSA-N 329.440 4.510 30 40 EJEB COc1cc(C)c(/C=N/c2cccc(Br)c2)cc1OC 408549580 VDJHLHAUUGRUIW-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB CC(=O)N(c1ccc(-c2ccccc2)cc1)c1nc(C)cc(C)c1C#N 367969 XPNJXWKONYSQMI-UHFFFAOYSA-N 341.414 4.922 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c(C)c1 13645661 JLDTWSOKPGRVKL-ZDLGFXPLSA-N 347.443 4.676 30 40 EJEB C=CCSc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCO2 32738258 QTSMTGSQJNTGSW-UHFFFAOYSA-N 347.823 4.599 30 40 EJEB Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 69701920 PYHPPFIPMBCUOU-CQSZACIVSA-N 345.427 4.505 30 40 EJEB CC(C)c1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 137363109 HRZYTRMNHMKHEK-WDLRCHCKSA-N 328.462 4.684 30 40 EJEB COc1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1 408764836 SXZJKNDPYHGINV-NHDPSOOVSA-N 339.826 4.902 30 40 EJEB COC(=O)c1cccc(/N=C/c2ccc(-c3cccc(F)c3)o2)c1C 409014903 MEBLZOTZBQMARI-WSDLNYQXSA-N 337.350 4.931 30 40 EJEB CC(C)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409105555 IRAASQQSZKLTJV-LSFURLLWSA-N 337.345 4.581 30 40 EJEB C#CCOc1ccc(CNc2ccccc2CC)cc1Br 409117705 MCKLQRAVHJFFHG-UHFFFAOYSA-N 344.252 4.636 30 40 EJEB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)[nH]2)cc1 9199599 PSUNJKPEUKMHIT-UHFFFAOYSA-N 348.475 4.933 30 40 EJEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)cc1C 102947746 ZQWOBLMCAIZRKK-ZNTNEXAZSA-N 340.426 4.911 30 40 EJEB C=CCN1C(=O)S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C1=O 409074541 MUOJEINIFABUQO-HNEYUBDGSA-N 340.448 4.835 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C 409202597 RWJZMEFJKIACCN-UDWIEESQSA-N 342.236 4.829 30 40 EJEB CC(F)(F)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083806417 WGXDRDHPZRDONY-UHFFFAOYSA-N 328.121 4.679 30 40 EJEB C=CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 3183880 FBTNQSRMVVXCOV-UHFFFAOYSA-N 327.236 4.555 30 40 EJEB CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)cc1 4607922 MZCOSEUTRLHWLP-UHFFFAOYSA-N 339.398 4.745 30 40 EJEB N#C[C@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2c1ccccc1O 4728590 NYPAPXFYOSDURV-DEPWHIHDSA-N 335.451 4.507 30 40 EJEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCc1cccs1 96346299 IUVGKBHFCLEIHK-JKSUJKDBSA-N 335.432 4.533 30 40 EJEB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C#N)c1 225820588 YFFCJGQLDBMALZ-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8570579 KLHUYEPFBIJTCA-UHFFFAOYSA-N 335.325 4.913 30 40 EJEB CN(C)c1ccc(/C=C2/CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 17024294 GPXHIYXWGUYGHF-VBGLAJCLSA-N 346.474 4.649 30 40 EJEB CSC(/N=C(\SCc1ccccc1)N(C)C)=N/c1ccccc1 102845773 ZSMIAGRBYIUYAJ-NADBREJJSA-N 343.521 4.888 30 40 EJEB CC(C)c1ccc2c(c1)/C(=N/Nc1cc(Cl)cc(Cl)c1)C(=O)N2 223729800 VAZNHKFKFXOWLQ-UHFFFAOYSA-N 348.233 4.885 30 40 EJEB Cc1ccc(-n2cccc2/C=N/c2ccc(C(=O)O)cc2)cc1Cl 409016273 SZAJLASBHQQKIP-CIAFOILYSA-N 338.794 4.888 30 40 EJEB C#CCn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 1382157 AHEZCWOUZNZXGA-UHFFFAOYSA-N 336.609 4.692 30 40 EJEB CCO[P@@](=O)(C#CC(C)(C)C)[C@](O)(c1ccccc1)C(F)(F)F 2317753 LOOMGBANYDMLRT-CMJOXMDJSA-N 348.301 4.716 30 40 EJEB CCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 38145489 HPCWHMNQJOAAJN-UHFFFAOYSA-N 339.650 4.751 30 40 EJEB N#CC1(Nc2ccc(Br)cc2)C2CC3CC(C2)CC1C3 55026453 QMPWOBJHEGBNTO-UHFFFAOYSA-N 331.257 4.579 30 40 EJEB C[C@H]1CCc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)csc2C1 78735994 ZKRBVCBTYHDTHR-AAEUAGOBSA-N 336.416 4.504 30 40 EJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1 16025436 SXTPIDOLZKBNMJ-UHFFFAOYSA-N 344.439 4.639 30 40 EJEB CCOC(C/N=C/c1ccc2c(c1)Sc1ccccc1O2)OCC 18206436 KKZSMHYDHQFAAR-UDWIEESQSA-N 343.448 4.762 30 40 EJEB C=CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915054 BQXKIYVBCVCFAZ-PVFHHWQTSA-N 332.528 4.697 30 40 EJEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)cc1C#N 225827608 ZBUMUKUXOZWZPG-HXUWFJFHSA-N 346.471 4.659 30 40 EJEB CCN1C(=O)/C(=C\c2cccc(F)c2)S/C1=N/c1ccc(F)cc1 409253505 VHSHDDZFYVPFQZ-FGVWYHQHSA-N 344.386 4.589 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2C#N 4024531 FUZCPLHZMKOTCW-RDWCLUPISA-N 341.495 4.832 30 40 EJEB biogenic COc1ccc(C(=O)/C=C/Nc2ccc(C(C)C)cc2)cc1OC 44974981 AQKPLPKSLJBQOL-VAWYXSNFSA-N 325.408 4.636 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1 225470093 YJUWJWOTWOILST-OAHLLOKOSA-N 326.465 4.607 30 40 EJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cc(OC)ccc2OC)C1 408564350 YZCSLCOKUUEDDV-SZGUKTLCSA-N 331.456 4.805 30 40 EJEB CC(C)COc1ccccc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 408600066 SRWGYTHJUFSDFV-KEBDBYFISA-N 346.814 4.519 30 40 EJEB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C#N 3372007 GREVXPDWLXXJNI-UHFFFAOYSA-N 336.435 4.823 30 40 EJEB CCCCCCCNC(=O)CCSCc1c[nH]c2ccccc12 101991421 URWQNWWNISVSFI-UHFFFAOYSA-N 332.513 4.878 30 40 EJEB N#Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 216910886 BDJBFFZKROBSEL-UHFFFAOYSA-N 340.579 4.692 30 40 EJEB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)O)c(Cl)c1 408844452 JCPISZNSUJNJFC-UFWORHAWSA-N 338.190 4.516 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)c(F)c1 409071178 FOZRCPIBHOZNTO-CIAFOILYSA-N 332.806 4.839 30 40 EJEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc12 409074718 VATBGJKWBDPMNE-AUEPDCJTSA-N 345.324 4.708 30 40 EJEB CCCOC(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 2891416 IPOICTANDVXVTC-XDHOZWIPSA-N 346.224 4.767 30 40 EJEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N=C2O)cc1 6262061 IKPAXYGPPMVKLP-LGMDPLHJSA-N 336.416 4.983 30 40 EJEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 13625862 NFWPEHZZJBPQEK-YJMOAXFXSA-N 348.398 4.811 30 40 EJEB CCCCN(C)c1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20828826 LNNKRWDAVMQCIQ-UHFFFAOYSA-N 349.478 4.708 30 40 EJEB O=C1/C(=C\Nc2ccc(Br)cc2)Sc2ccccc21 100056621 FLXVGCFOOISSPN-NTEUORMPSA-N 332.222 4.691 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C1 35647 GPCBCWHUOZAYNE-SNVBAGLBSA-N 330.840 4.650 30 40 EJEB N#CCOc1c(-c2ccccc2Cl)oc2ccc(Cl)cc2c1=O 1925402 JFJMTMPUTXUZNE-UHFFFAOYSA-N 346.169 4.669 30 40 EJEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 5693222 DTQKVOOCASYQRY-AWNIVKPZSA-N 349.474 4.717 30 40 EJEB N#Cc1c(Cl)cccc1NC[C@@H](c1cccs1)N1CCCC1 14233235 PEIOHYVQUKBIQU-INIZCTEOSA-N 331.872 4.522 30 40 EJEB Cc1ccc(CNC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 20367338 SXMMMFBGHFUIPU-UHFFFAOYSA-N 325.411 4.849 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 219782485 DUGAFNSGXBRYJE-UHFFFAOYSA-N 335.325 4.913 30 40 EJEB N#Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)o1 19423085 YOHLFKYSMWNNFE-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB CC/C(=N/NC(=S)Nc1cccc(Cl)c1C)c1ccccc1 33673498 QSCOTSPWEPMSNE-HKWRFOASSA-N 331.872 4.749 30 40 EJEB Oc1nc2cc(/N=C\c3ccc4c(c3)OCO4)ccc2c2ccccc12 104102134 UYEQRUURHXEGIV-JJFYIABZSA-N 342.354 4.573 30 40 EJEB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1 223011904 GTRXABZFZXFRIO-SFHVURJKSA-N 342.826 4.511 30 40 EJEB N#Cc1ccccc1CO/N=C/c1cccn1-c1ccc(Cl)cc1 408595226 LKSOPFRDNBMTGB-LPYMAVHISA-N 335.794 4.553 30 40 EJEB C=CCOc1c(CC=C)cc(CNc2ccc(OC)cc2)cc1OC 409111925 AIFIQEQLCKYSOX-UHFFFAOYSA-N 339.435 4.609 30 40 EJEB C=CCc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1OC 30854737 WRDNJBSJXVTJFF-FQEVSTJZSA-N 337.463 4.941 30 40 EJEB N#Cc1ccc(F)c(CN(Cc2ccco2)Cc2cccs2)c1 57900368 RUUSUMMVLMWJSI-UHFFFAOYSA-N 326.396 4.554 30 40 EJEB CN(c1ccccc1)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 59461477 HLOWJJBDBIHLSN-UHFFFAOYSA-N 339.394 4.917 30 40 EJEB CCN(CC)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 288393 OTXWBHWLPSMVRY-XDHOZWIPSA-N 331.803 4.845 30 40 EJEB Brc1cccc(/N=C/c2cccn2-c2ccccc2)c1 59249982 VHAXAJZSHOQFOX-CPNJWEJPSA-N 325.209 4.990 30 40 EJEB CCn1c(=O)c(/C=N/c2cccc3ccccc23)c(O)c2ccccc21 100192855 IOJIGQGWOGCITE-OEAKJJBVSA-N 342.398 4.631 30 40 EJEB CC(C)c1ccc2c(c1)/C(=N/Nc1cccc(Cl)c1Cl)C(=O)N2 223730619 UQRPUWRAJBKRNP-UHFFFAOYSA-N 348.233 4.885 30 40 EJEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cl)nc2c1 225683966 YKFAAQXREUZRDW-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB N#CCc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 226095743 UDYNOWXOFMXJIT-UHFFFAOYSA-N 343.411 4.768 30 40 EJEB C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 238761541 HPQKNJHVWUWAOR-GFDPAEIDSA-N 336.472 4.741 30 40 EJEB biogenic,in-vitro O=[N+]([O-])c1ccccc1-c1ccc(C=Nc2cc(Cl)ccc2O)o1 257345416 UJNDGTMWJIFENZ-UHFFFAOYSA-N 342.738 4.964 30 40 EJEB C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 595045954 WQMBBTXTOMOUNU-PXAZEXFGSA-N 327.378 4.619 30 40 EJEB Cc1ccccc1OCc1nc(C#N)c(N[C@@H](C)c2ccccc2)o1 108130 NJJHGWZJVAZUIC-HNNXBMFYSA-N 333.391 4.607 30 40 EJEB Cc1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 5798817 PKLILLXSSPWLOR-SIKLNZKXSA-N 342.398 4.863 30 40 EJEB CC(=O)O[C@H]1CC[C@@H]2[C@H]3C[C@@]4(C)C(=O)C=CCC[C@]4(C)[C@@H]3CC[C@]12C 6293928 NOXYBWYMMIPAGH-ZBSRZJSFSA-N 344.495 4.696 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709402 BCKPJQKUGTWRGO-MRXNPFEDSA-N 347.414 4.811 30 40 EJEB O=C(/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccco1)c1ccco1 97831976 COJOUROWMDFYIY-HMMYKYKNSA-N 349.173 4.879 30 40 EJEB C=CCSc1ccccc1C(=O)NCCSC1CCCCC1 219802883 BCCNXBTWYVOCTJ-UHFFFAOYSA-N 335.538 4.760 30 40 EJEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 225802603 FQLOANPZPMYZQZ-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225820657 CZKZGLFZMSTAQZ-MGPUTAFESA-N 346.471 4.515 30 40 EJEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccccc3)o2)c1 5774228 QPFDEHBWTCQZQT-RGVLZGJSSA-N 340.766 4.744 30 40 EJEB Cc1csc(N(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc2)n1 6880788 ITHNNAJNMXYPFW-VAWYXSNFSA-N 345.427 4.701 30 40 EJEB C#CCn1c(C)c(/C=N/Nc2nc3ccccc3s2)c2ccccc21 6959739 LBUCXYKNCRRCIE-FYJGNVAPSA-N 344.443 4.639 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1 20482859 FHNCWSKWPIGGDW-GOSISDBHSA-N 345.826 4.701 30 40 EJEB Oc1ccc(Cl)cc1/C=N\Nc1ccnc2cc(Cl)ccc12 36253995 DHXBQTIGWIUSLR-UKWGHVSLSA-N 332.190 4.693 30 40 EJEB N#C[C@H](C(=O)c1ccc(OC2CCCC2)cc1)c1nc2ccccc2o1 41539557 HTSOXJIIBNLGIH-QGZVFWFLSA-N 346.386 4.639 30 40 EJEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(Br)cc2)c1 44844538 CHQDKMKQVKATEX-MDZDMXLPSA-N 330.225 4.874 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccccc2)c1 225481718 SYDAFLVLZKPTRJ-SFHVURJKSA-N 326.465 4.689 30 40 EJEB C=CCN(C(=O)/C=C/c1nc2ccccc2o1)[C@H]1CCc2ccccc21 40134035 OOQSRHWZLMFPKI-KQDNUWKFSA-N 344.414 4.543 30 40 EJEB C=CC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915065 XLZOWNDECGUSCQ-DHGBTQKMSA-N 330.512 4.617 30 40 EJEB O=[N+]([O-])c1cccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)c1 1565673181 TVNCKLSTXORHTQ-UHFFFAOYSA-N 349.202 4.587 30 40 EJEB O=C(Oc1ccc(/C=N/c2ccc(F)cc2)cc1)c1cccs1 64518 GXTOXTWQEQWYJI-UDWIEESQSA-N 325.364 4.857 30 40 EJEB Oc1cccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1 5529269 JMHRPVPBHJOJLJ-LSHDLFTRSA-N 346.415 4.510 30 40 EJEB O=C(Nc1cccc(Cl)c1)c1ccc(C#Cc2ccccc2)cc1 14125927 XBWBLDUDTIXPJT-UHFFFAOYSA-N 331.802 4.992 30 40 EJEB Cc1ccc(C)c2c1OC/C(=C/c1csc(-c3ccco3)n1)C2=O 98055329 QHADCCWBVHRALE-JYRVWZFOSA-N 337.400 4.679 30 40 EJEB O=C(/C=C/Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)sc1Cl 100482267 VYXLHTVCPLTPKI-SNAWJCMRSA-N 343.191 4.772 30 40 EJEB Cn1c(Cl)c(/C=N/OC(=O)c2ccc(Cl)cc2)c2ccccc21 4051495 LHLFONPWAYVQDE-KEBDBYFISA-N 347.201 4.676 30 40 EJEB O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 12960220 ZTTBHALOENLQEC-OCKHKDLRSA-N 337.206 4.525 30 40 EJEB CCc1ccc(C(=O)/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1 13467535 KDCCEIBVSQHLQO-QXMHVHEDSA-N 335.325 4.956 30 40 EJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)cc1 408744597 YTDYESYYTJHGLO-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(C)s2)cc1OC 219716 FFNABHLCEFWDBR-UDWIEESQSA-N 338.432 4.886 30 40 EJEB Cc1cc(F)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 7279525 PEZNYJPBYVKZIV-UHFFFAOYSA-N 330.362 4.925 30 40 EJEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1c[nH]c2ccccc12 7980439 JFBABBCKVKJFMZ-UHFFFAOYSA-N 344.867 4.640 30 40 EJEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2ncsc2c1 8230536 YUUVBCQSMAITLD-UHFFFAOYSA-N 348.880 4.840 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C 8367917 MGETVHQCWBXPKF-UDWIEESQSA-N 342.236 4.829 30 40 EJEB Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)oc2ccc(F)cc12 15599034 GPKYJCOCACBNIG-UHFFFAOYSA-N 328.730 4.658 30 40 EJEB N#CCCSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2 16429379 BCVCBNSLWGKUAE-UHFFFAOYSA-N 329.856 4.682 30 40 EJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 20672603 WDKQILNZDKWWPA-GOSISDBHSA-N 337.810 4.568 30 40 EJEB COc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 59105001 RTVVMNGQECEFKR-HZHRSRAPSA-N 327.387 4.785 30 40 EJEB CC(C)=NNc1nc2cc3sc(NN=C(C)C)nc3cc2s1 72228980 JWDQZTHQEIEMRW-UHFFFAOYSA-N 332.458 4.521 30 40 EJEB CCOc1ccc(/N=C/c2cc(Cl)c(OCC)c(OC)c2)cc1 103731529 OOQWGUVWAYDLPO-UDWIEESQSA-N 333.815 4.897 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccccc1Cl 409102350 YXSVHJWNFQNAKE-BKUYFWCQSA-N 344.842 4.708 30 40 EJEB C=CCn1c(SCC)nc2scc(-c3ccc(C)cc3)c2c1=O 3457372 PGSIHIQRFMOCDP-UHFFFAOYSA-N 342.489 4.731 30 40 EJEB [N-]=[N+]=NC1=C(C(=O)c2ccccc2)C(=O)c2cccc3cccc1c23 3958417 ZYBYQTWZDHJYOV-UHFFFAOYSA-N 325.327 4.940 30 40 EJEB N#C[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 6574987 RBWIHMFKEXHVGZ-QFIPXVFZSA-N 340.426 4.636 30 40 EJEB CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CC[C@H](C)C3)cc1 16609380 JLHHAYIIANOCFB-AWEZNQCLSA-N 329.447 4.927 30 40 EJEB C=CCOc1ccc(-c2nnc(-c3ccc(OCCC)cc3)o2)cc1 27021157 MGJLNXFUZCPRBJ-UHFFFAOYSA-N 336.391 4.757 30 40 EJEB Cc1c(C(=O)Nc2ccccc2SCCC#N)oc2ccccc12 95953461 TWLBWPGWGGYZKG-UHFFFAOYSA-N 336.416 4.999 30 40 EJEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)cc1C#N 225802930 QOGNGJNCILEMMD-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB C[C@H](O)c1cccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 409062363 SNHVSZYXVWFXHG-AEZGRPFRSA-N 336.218 4.855 30 40 EJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1 36365599 VYMSBRBDWGKJAO-INIZCTEOSA-N 348.793 4.521 30 40 EJEB N#Cc1c(CSc2ccc(Cl)cc2)c(C=O)n2ccccc12 48214002 VFADZQIWMBPLOA-UHFFFAOYSA-N 326.808 4.569 30 40 EJEB N#Cc1ccc(COC(=O)c2sc3ccccc3c2Cl)cc1 3338143 QXNPUTBWTBIHCO-UHFFFAOYSA-N 327.792 4.783 30 40 EJEB N#CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 5252467 YXSVUBKKWAFLFU-APSNUPSMSA-N 346.169 4.512 30 40 EJEB Cc1cc(C)nc(N/N=C\c2c3ccccc3cc3ccccc23)n1 15163365 VBGYUPNVBCYBRJ-XKZIYDEJSA-N 326.403 4.846 30 40 EJEB N#C[C@H](C(=O)c1occc1-c1ccccc1)c1nc2ccccc2o1 78735692 WJNQBZGVOORNBT-OAHLLOKOSA-N 328.327 4.578 30 40 EJEB CC1=CC(=O)[C@]2(C)C(c3ccccc3)=C(Cc3ccccc3)N(C)[C@H]2C1 90373736 AYHWOFRGVYNNHK-XUZZJYLKSA-N 343.470 4.880 30 40 EJEB CCOc1ccc(Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 96346050 DBHIOJJMYGKNKW-QZTJIDSGSA-N 345.402 4.960 30 40 EJEB Cc1cccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)c1 225852994 OXHHPABYWZHXPD-UHFFFAOYSA-N 349.503 4.817 30 40 EJEB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@@H]3CC[C@@]12C 253618078 PGAUJQOPTMSERF-AEMIOXJASA-N 344.495 4.696 30 40 EJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(Br)cc1)C2 468647 XMPATJFZKSQGBO-SJCJKPOMSA-N 334.257 4.770 30 40 EJEB COc1ccc(/C=N/OCc2ccc(Cl)cc2Cl)c(OC)c1 3320734 ULQINKFQVMKLLU-DJKKODMXSA-N 340.206 4.561 30 40 EJEB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 4867074 QEIYTQGGNYWELB-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB O=[N+]([O-])C(=N\Nc1ccc(Cl)cc1)/N=N/c1ccc(Cl)cc1 16927976 GOKHYVPGRILSNA-KXTSXHOFSA-N 338.154 4.737 30 40 EJEB CCCCN/C(=N/C(=S)Nc1ccc(Cl)cc1)SCC 18054081 LQQQJPMQTCVWDM-UHFFFAOYSA-N 329.922 4.536 30 40 EJEB CCOc1ccc(C(=O)C[n+]2cccc3c4ccccc4ccc32)cc1 18191534 OPJIWJUJODBJEG-UHFFFAOYSA-N 342.418 4.562 30 40 EJEB CC/C(C)=N/Nc1nc2c(C)ccc(NC(=O)c3ccco3)c2s1 72229703 AWELURCZHBTCJU-RGVLZGJSSA-N 342.424 4.648 30 40 EJEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 225802626 FQLOANPZPMYZQZ-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccccc1F 225882495 OUEOOWGSIMFBFC-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC(c1ccccc1)c1ccccc1 1775966067 RDPNPAMGAYJWJV-BGYRXZFFSA-N 332.447 4.669 30 40 EJEB O=C1C=C(c2ccccc2)O[C@@]1(Nc1ccccc1)c1ccccc1 1595077 YFIWOVCGFYKTLU-QFIPXVFZSA-N 327.383 4.592 30 40 EJEB CCCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 4570301 VSLHNUCWRGGOEF-UHFFFAOYSA-N 328.437 4.668 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1 8371808 DFPOGADEZMOFJC-XDHOZWIPSA-N 328.209 4.520 30 40 EJEB CCCC/N=C(/S)NNc1c(Cl)cc(Cl)cc1Cl 13684883 ZNXWAZUVHCSKMI-UHFFFAOYSA-N 326.680 4.649 30 40 EJEB CCOC(=O)c1ccc(/N=C\c2cc(Cl)cc(Cl)c2O)cc1 17424848 OMIYGSQXMPMWIY-OCKHKDLRSA-N 338.190 4.626 30 40 EJEB O=[N+]([O-])C(/N=N\c1ccc(Cl)cc1)=N/Nc1ccc(Cl)cc1 104111212 GOKHYVPGRILSNA-WOZMVSLESA-N 338.154 4.737 30 40 EJEB CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)c(C)c1 225710461 DUALXNTUSKOSAG-IBGZPJMESA-N 337.492 4.807 30 40 EJEB C=CCOc1ccc(Br)cc1CNc1ccc(OC)cc1 409120930 XFCXSDXLGQOJGF-UHFFFAOYSA-N 348.240 4.635 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709408 PTIWANMZXXPCRN-INIZCTEOSA-N 347.414 4.811 30 40 EJEB CN(C)c1ccc([C+](c2ccccc2)c2ccc(N(C)C)s2)s1 16186583 OOTNRNHIPAWIDT-UHFFFAOYSA-N 341.525 4.961 30 40 EJEB C=CCc1cc(/C=N\c2ccccc2OCC)cc(OCC)c1O 408852711 MRSRUZRUMRWKKS-STZFKDTASA-N 325.408 4.669 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(Br)cc1)C2 468648 XMPATJFZKSQGBO-SJKOYZFVSA-N 334.257 4.770 30 40 EJEB N#C[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 1386066 LMTHTRSFBFLKNZ-LBPRGKRZSA-N 347.727 4.957 30 40 EJEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 4170448 AGSRPFOPZFWMCQ-UHFFFAOYSA-N 332.451 4.610 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4683378 GNFABWAPJFOZSF-PFOMDNQCSA-N 328.496 4.970 30 40 EJEB N#CCOc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 6625613 WHIBPMRJIZHVIK-JXMROGBWSA-N 331.293 4.504 30 40 EJEB CCCCCCCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 100838911 UDWUIJXUMODKHQ-GOSISDBHSA-N 332.550 4.891 30 40 EJEB COc1ccc(-c2nn(CCC#N)c(=S)n2C2CCCCC2)cc1 524734938 KRPBVGIASAJQOG-UHFFFAOYSA-N 342.468 4.509 30 40 EJEB C/C(=N\OCc1ccccc1)c1ccc(OCc2ccccc2)cc1O 5370990 HUDZOZDMSUGTKN-HAVVHWLPSA-N 347.414 4.912 30 40 EJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(F)cc3)nc1-2 59459298 YCDKONHBUUNATG-SRZZPIQSSA-N 338.407 4.807 30 40 EJEB N#CCCSc1ccccc1NC(=O)c1ccc(-c2cnco2)cc1 69589849 VDGWCLHVFADONZ-UHFFFAOYSA-N 349.415 4.600 30 40 EJEB C/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl 100922859 RYRYVAGYAXWNMO-KEBDBYFISA-N 330.218 4.895 30 40 EJEB O=C(Nc1ccc(/N=C/c2ccccc2O)cc1Cl)c1ccco1 102417326 FQWCLEQSKBWMCQ-RGVLZGJSSA-N 340.766 4.642 30 40 EJEB CC(C)CCc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225856507 KHRYZEKVKHAACD-UHFFFAOYSA-N 336.266 4.886 30 40 EJEB CCCC(=NOCC)C1=C(O)C[C@H](C[C@H](C)SCC)CC1=O 257351221 CSPPKDPQLUUTND-STQMWFEESA-N 327.490 4.502 30 40 EJEB Cc1cccc(N/N=C2/C=C(c3ccc4ccccc4c3)OC2=O)c1 408725464 PJQKFBFTSLITCX-NMWGTECJSA-N 328.371 4.514 30 40 EJEB Cc1ccc([C@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1706534 HIKGKLNLJZQJOC-UXHICEINSA-N 344.476 4.735 30 40 EJEB CCCOc1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1 2328309 BXMXPYVWPKHONE-UYRXBGFRSA-N 344.484 4.659 30 40 EJEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(C(C)=O)cc1 2677242 MLGOFVZFPCUZHU-MRCUWXFGSA-N 334.444 4.838 30 40 EJEB C=CCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 8104139 XZNIGVSCPFNOLR-UHFFFAOYSA-N 345.826 4.539 30 40 EJEB COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(S)n2)cc1 38490592 IAHVSBSNNGSYDJ-UHFFFAOYSA-N 348.427 4.593 30 40 EJEB Cn1ncc2c1CC/C(=C\c1ccc(-c3cccs3)cc1F)C2=O 84310366 PUKRXQLEDVNKOZ-NTEUORMPSA-N 338.407 4.500 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)cc1 225485439 MBNLULUMSCLTMG-IBGZPJMESA-N 340.492 4.998 30 40 EJEB COc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 408733732 PFAYAWDBOSCLMU-OEAKJJBVSA-N 328.415 4.966 30 40 EJEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4523589 IMHRCUCCVYFVFX-XQNSMLJCSA-N 336.395 4.597 30 40 EJEB CC(C)n1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10119148 CSVVSFRHJHHXOK-WSDLNYQXSA-N 325.843 4.999 30 40 EJEB C[C@H](CC#N)Sc1ccccc1NCc1ccc(C#N)cc1F 109002097 VTVMGZXELLYGGD-CYBMUJFWSA-N 325.412 4.704 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccccc2)cc1 225481663 RYWYTJOZZCXEDM-GOSISDBHSA-N 326.465 4.689 30 40 EJEB C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1ccc(Cl)s1 5166261 PWSBRIXLMLONGP-QGMBQPNBSA-N 336.873 4.859 30 40 EJEB CCCNc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F 98002608 MHASMFSWZBTAOS-UHFFFAOYSA-N 340.239 4.568 30 40 EJEB Cc1ccc([N+](=O)[O-])cc1/N=C/C=C1\N(C)c2ccccc2C1(C)C 103749129 BEAQFEMKEUFOIU-AHWQLZTKSA-N 335.407 4.917 30 40 EJEB N#Cc1ccc(/C=N\CCCCCC/N=C\c2ccc(C#N)cc2)cc1 104063714 WPRSOPAWUGQYPC-MFYXSQMNSA-N 342.446 4.528 30 40 EJEB C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222979309 GVERMTAQFDWRPX-INIZCTEOSA-N 335.447 4.621 30 40 EJEB C=CCc1cc(/C=N\c2ccc(Cl)cc2O)cc(OCC)c1O 408853080 YLUXHIIJYYODSO-JAIQZWGSSA-N 331.799 4.629 30 40 EJEB COc1ccc(/N=C(\c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 16978844 FYPOXZRKCSCPRO-QZQOTICOSA-N 332.359 4.773 30 40 EJEB COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 33332602 AALRMFYQWJBGLW-GRSHGNNSSA-N 343.839 4.918 30 40 EJEB C/C(=N\c1ccc2ccccc2c1)c1c(O)c2ccccc2n(C)c1=O 100362596 BOTABIYYZCCFBS-OEAKJJBVSA-N 342.398 4.538 30 40 EJEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409208096 AUVNBBGIWLVONL-HAHDFKILSA-N 344.414 4.763 30 40 EJEB Cc1ccc(C[C@@H](C#N)Sc2ncc(-c3ccccc3)n2C)cc1 7131211 GEGHVBXVAJQHPF-SFHVURJKSA-N 333.460 4.623 30 40 EJEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2)S1 12032546 UZGWEDRFRBCMPH-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB C=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958065 VPYUMVBJSHDHPP-UHFFFAOYSA-N 338.794 4.578 30 40 EJEB C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1ccncc1 408718229 CSTLAJCQEDVQQP-HYARGMPZSA-N 326.359 4.549 30 40 EJEB Cc1cc(C)c(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1C 408721610 VOOBPFZUBIUDTR-WQRHYEAKSA-N 336.460 4.812 30 40 EJEB CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 409018894 YBRFKUYADVWNJT-LPYMAVHISA-N 329.359 4.527 30 40 EJEB CCOc1cc(/C=N/c2c(C)nn(-c3ccccc3)c2C)ccc1OC 1100268 FPXBLPJMSVZHOT-HYARGMPZSA-N 349.434 4.647 30 40 EJEB COc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1OC 4924794 ORCBZWJMLWFRHS-XQNSMLJCSA-N 346.430 4.745 30 40 EJEB C=C(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1 38317479 CSCURIFCYUKGET-UHFFFAOYSA-N 330.427 4.544 30 40 EJEB N#CCOc1ccccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 44027415 PAMFVGOTMGCISP-JXMROGBWSA-N 331.293 4.504 30 40 EJEB C#CCOC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 216941643 IYGJLXJIJBYIPT-UHFFFAOYSA-N 337.378 4.845 30 40 EJEB CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 254735616 NPXZJXKJCUAUBN-UHFFFAOYSA-N 348.277 4.540 30 40 EJEB CO/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 4003140 GBLMJOZTEFHAMP-VXLYETTFSA-N 345.855 4.575 30 40 EJEB CC[C@@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 5907518 TZDQXHADLDEABP-ZGXHQARYSA-N 328.368 4.573 30 40 EJEB C=CCN(C(=S)Oc1ccc2nc(C)c(C)nc2c1)c1ccccc1 5986565 GXJTYQAPMFNBRN-UHFFFAOYSA-N 349.459 4.603 30 40 EJEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1ccco1 23605803 RMJOXKDIGXSMGX-RGVLZGJSSA-N 340.766 4.642 30 40 EJEB O=c1ccc2c([nH]1)CCC[C@H]2/N=C/c1sc2ccccc2c1Cl 69487552 RCFURXBWPZQGSG-RNDVCUHJSA-N 342.851 4.740 30 40 EJEB CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932931 YYUZCVKFYYSLNG-ZZNDGULVSA-N 342.523 4.599 30 40 EJEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408708710 LHJCEVGDJGLNDY-UHFFFAOYSA-N 346.515 4.789 30 40 EJEB CC(C)N(CC#C[C@](O)(c1ccccc1)C1CCCCC1)C(C)C 1825614 DSNLZFXGLZSOFH-QFIPXVFZSA-N 327.512 4.577 30 40 EJEB C[C@]12C=CC(=O)C(Cl)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4026419 AGUNEISBPXQOPA-XMUHMHRVSA-N 334.887 4.612 30 40 EJEB biogenic,world Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] 4603668 XGMMHGUTSUHNJJ-REZTVBANSA-N 325.151 4.666 30 40 EJEB CCOc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccccc13)C2=O 9423199 UMXJWAZDLVQBHI-UDWIEESQSA-N 347.414 4.985 30 40 EJEB CN1/C(=C/C(=O)c2ccc(OC(F)F)cc2)C(C)(C)c2ccccc21 18066623 SRNDAZYQRINDTH-LDADJPATSA-N 343.373 4.782 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ncccc2C)o1 27983943 FFJIAINKWNQKLR-UHFFFAOYSA-N 348.402 4.543 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccc(Cl)cc2)cc1 225882405 MBKPOPXYHZYZRF-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB CCOc1ccc(/C=N/OCc2ccccc2C#N)c2ccccc12 408590651 HKNOCHKUHSKASA-OEAKJJBVSA-N 330.387 4.661 30 40 EJEB CC(C)CN(CCC#N)C(=S)Nc1ccc(Cl)cc1Cl 3414950 CGCTVVLBCRWKAM-UHFFFAOYSA-N 330.284 4.562 30 40 EJEB O=C(/C=C/c1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1O 4070536 APPUXYDNPBTPBZ-UXBLZVDNSA-N 346.382 4.603 30 40 EJEB aggregator O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 5128872 VKUWWAKTYNCJFO-NTCAYCPXSA-N 331.327 4.677 30 40 EJEB C=CCc1ccc(OCc2nc3ccccc3n2CCC)c(OC)c1 5235844 YAUPMOBSWOPKKZ-UHFFFAOYSA-N 336.435 4.762 30 40 EJEB C[C@@H]1CCCC/C1=N\NC(=S)Nc1ccccc1C(F)(F)F 12566872 DBRDMVFFOUVZIV-DSNOEGRGSA-N 329.391 4.558 30 40 EJEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(C)c3)n2)cc1 13408200 BEPCSHGIOXXRNJ-QJOMJCCJSA-N 332.432 4.767 30 40 EJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1 36352854 IHPPQMVMXPFVDA-AWEZNQCLSA-N 348.793 4.521 30 40 EJEB CC(C)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59248013 BNOBFJHYYMSXRB-KEBDBYFISA-N 331.799 4.677 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1 225754717 YAZVIUKKXQYMQQ-OAHLLOKOSA-N 326.465 4.607 30 40 EJEB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225825802 CMOUCBROCSWYIJ-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB CCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 6272969 WHRXOIAIPSQWSX-DJKKODMXSA-N 337.206 4.798 30 40 EJEB S=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccc2ccccc2c1 6557719 ULGJCZMSOWMYED-DEDYPNTBSA-N 330.416 4.643 30 40 EJEB CC(=O)/C(=C\c1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 36056589 FDAUAWCWYPKAFJ-RIWDGTHDSA-N 328.452 4.663 30 40 EJEB N#CCSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087457 QANZVWDHNQHODJ-UHFFFAOYSA-N 325.824 4.808 30 40 EJEB CC(C)c1ccccc1/N=C/c1ccc(OCC(=O)O)c(Cl)c1 59302003 VFVBRBAAYZLQLO-KEBDBYFISA-N 331.799 4.677 30 40 EJEB Cc1ccccc1/C=C1\S/C(=N/c2ccccc2Cl)NC1=O 4471585 GCGPFXLXWXEZCE-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(C#N)cc1 8772327 YKYOCWLQHXNINE-JXMROGBWSA-N 342.851 4.501 30 40 EJEB Clc1ccc(-c2csc(N/N=C\c3cccnc3)n2)c(Cl)c1 32511879 STHOOYABVADJOH-UWVJOHFNSA-N 349.246 4.958 30 40 EJEB O=C(O/N=C(\Cc1ccccc1)c1cccs1)c1cccs1 39986928 NFRLECVBWKBFLN-NBVRZTHBSA-N 327.430 4.613 30 40 EJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccco1 196037507 IRMDKPUJUVIIDP-UHFFFAOYSA-N 340.419 4.680 30 40 EJEB C=CCc1cc(CO)cc(OCC)c1OCc1cccc(Cl)c1 409121619 XDNHHKAQCQSTFH-UHFFFAOYSA-N 332.827 4.539 30 40 EJEB N#CC1(c2ccccc2)CCN(c2nc3cc(Cl)ccc3o2)CC1 1889022066 HBBDLQLOLKFORZ-UHFFFAOYSA-N 337.810 4.543 30 40 EJEB C(=N/OCc1cccc(CO/N=C/c2ccccc2)c1)\c1ccccc1 9453336 GMEPQJSLPFBEHO-DFEHQXHXSA-N 344.414 4.788 30 40 EJEB COc1ccc(/C=N/c2ccc(NC3=NCC(C)(C)S3)cc2)cc1 96236199 GVIFGHURBHCNMK-UDWIEESQSA-N 339.464 4.739 30 40 EJEB O=[N+]([O-])c1cc(/N=C\c2ccc3ccccc3c2O)ccc1Cl 100248495 IAWIAVHYVPSUPT-GRSHGNNSSA-N 326.739 4.858 30 40 EJEB CCCCc1ccc(/N=C\c2cc3c(cc2OCC)OCO3)cc1 409105595 LKPYUSJIXUICSL-BKUYFWCQSA-N 325.408 4.907 30 40 EJEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccoc1C 2648817 NXZJWDLYMPNMJU-UHFFFAOYSA-N 345.855 4.978 30 40 EJEB COc1ccc(/C=N/OCc2ccc(Cl)c(Cl)c2)c(OC)c1 3329637 ALPDQIFUUXINIK-DJKKODMXSA-N 340.206 4.561 30 40 EJEB CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3875518 LVHOURKCKUYIGK-RGUJTQARSA-N 340.507 4.519 30 40 EJEB biogenic,in-man CC(C)C1=CC2=CC[C@@H]3[C@@](C)(CCC[C@@]3(C)C(N)=O)[C@@H]2C[C@@H]1CC#N 5022280 GCVOAWDIEGWPIT-KMUCGFTESA-N 340.511 4.747 30 40 EJEB CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(Cl)c1OC 6999592 PUOAPGXEDZBLOO-RMKNXTFCSA-N 341.794 4.515 30 40 EJEB O=C1/C(=C(\O)C(F)(F)F)CCC/C1=C\c1ccc(O)c(Cl)c1 408562934 GSYCKEUNPXJXOA-NHZNEZGNSA-N 332.705 4.556 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)C2=CC=C1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 2049241021 XZNGOEFIQGQWSR-FHTPNYMGSA-N 326.480 4.890 30 40 EJEB O=C(O)c1cccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c1 178891 CGUMWJHNQHUQLW-WQRHYEAKSA-N 348.379 4.974 30 40 EJEB COc1cccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)c1 1236105 ZHSUVYLAMGTUQM-PXLXIMEGSA-N 327.387 4.761 30 40 EJEB CCOc1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1 4926348 YJBBUDONCGCUGR-HAVVHWLPSA-N 328.415 4.957 30 40 EJEB CCCC/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1CCCC 5552184 ANFSOSJTJKLBOE-DCBMACRLSA-N 330.497 4.868 30 40 EJEB CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1C 7343407 HKCMDSZSDFTYJW-HYARGMPZSA-N 344.418 4.571 30 40 EJEB C=CCCC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 72291534 TWCJRUSIYFNZLH-UHFFFAOYSA-N 342.826 4.521 30 40 EJEB C=C(C)COc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 219778750 LDOCPVHMCJZMBR-UHFFFAOYSA-N 349.474 4.736 30 40 EJEB Cc1cccc(N/N=C2/C=C(c3cccc4ccccc34)OC2=O)c1 408726655 SJWBTBPIXKSGIT-NMWGTECJSA-N 328.371 4.514 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc2ccccc12 408742692 XVVHPSGMGNNYFA-VZMFNRANSA-N 327.387 4.581 30 40 EJEB CCc1ccc(-n2c(C)cc(/C=N\Nc3nc(C)cc(C)n3)c2C)cc1 408752328 DJMJHYHAJZCPNL-XKZIYDEJSA-N 347.466 4.509 30 40 EJEB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 409188021 WJZQMDVPKOMPER-SRZZPIQSSA-N 345.826 4.729 30 40 EJEB Cc1ccc([C@@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1706535 HIKGKLNLJZQJOC-PMACEKPBSA-N 344.476 4.735 30 40 EJEB C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4ccc(C#N)cc4)cc3c2C1 12590407 LYZCFRKFAYCBGZ-AWEZNQCLSA-N 344.414 4.521 30 40 EJEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2c1 216921996 OHQQOSMVFBCZGY-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB C=CCN1C(=O)S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C1=O 409067616 GIEBVLVNHOHGOO-GZTJUZNOSA-N 345.464 4.739 30 40 EJEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2ccccc2O)c1 63381 JICKFDPDLCENSI-OEAKJJBVSA-N 341.366 4.916 30 40 EJEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(Br)c(Cl)c1 356487 KALCAHZKOVQPIH-LZYBPNLTSA-N 339.576 4.761 30 40 EJEB Cc1cc2c(cc1C)/C(=C/C(=O)C(Cl)(Cl)Cl)NC(C)(C)C2 3772002 LULHWMSOUPSSRW-QPEQYQDCSA-N 346.685 4.508 30 40 EJEB CC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 4740467 TVOMIQVKMUKJGG-OAHLLOKOSA-N 333.218 4.916 30 40 EJEB CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Cl 14258574 PSMGUHJZNLSZPA-UHFFFAOYSA-N 334.828 4.541 30 40 EJEB C[C@H](Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1)C(=O)O 408859432 WUQFZLJKZQOPPN-PFRBSUFTSA-N 345.398 4.956 30 40 EJEB C#CCOc1ccc(CNc2ccc(C)c(C)c2)cc1Br 409114346 HERLGFVCEXAOCG-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB CCCCC[C@H](C=O)CCC(=O)c1ccc(Br)cc1 2269433 NLQFAVJFJNGITK-ZDUSSCGKSA-N 325.246 4.807 30 40 EJEB CC(C)CCOc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 6375253 WNFVOBYHMRBEQW-DHZHZOJOSA-N 339.391 4.916 30 40 EJEB C=CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1Br 8116520 SUMHARMVYBDZIL-XDHOZWIPSA-N 346.224 4.773 30 40 EJEB C[C@@H](CN(C)C)C(/C=C\c1ccc(F)cc1)=N\Nc1ccccc1 8652726 GRWKFHIELHESTI-YOLCWJIBSA-N 325.431 4.505 30 40 EJEB O=C(/C=C/Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 33787226 PRIZLFOXULXNPB-OUKQBFOZSA-N 343.382 4.891 30 40 EJEB N#Cc1nc(-c2ccccc2)oc1NCCSc1ccc(F)cc1 72427570 IVMHNFAYOJRIAZ-UHFFFAOYSA-N 339.395 4.557 30 40 EJEB CC(=O)c1ccc(-c2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 408595028 VJMZZKVWJCNROW-YDZHTSKRSA-N 344.370 4.572 30 40 EJEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(F)cc3)nc1-2 408721840 AFTGIUDMCDRALB-AWQFTUOYSA-N 340.379 4.601 30 40 EJEB CCN(CC)c1ccc(C(=NO)c2ccc(N(CC)CC)cc2)cc1 1676448 MDSZMADSQRPHQY-UHFFFAOYSA-N 339.483 4.606 30 40 EJEB CCc1ccc([C@H](NC(=O)c2cccc(C#N)c2)c2cccs2)cc1 8062304 RJXGDSRWCGOKRH-FQEVSTJZSA-N 346.455 4.702 30 40 EJEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)O)c2c1 11865220 NFRYXVYAAVKFMB-UHFFFAOYSA-N 338.359 4.762 30 40 EJEB biogenic C=C(C)CS[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12975275 LAFNOXHJBCBYRI-JTQLQIEISA-N 332.450 4.615 30 40 EJEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1 19832263 BIPRNWDYSBUNBH-UHFFFAOYSA-N 335.794 4.531 30 40 EJEB C=C1CCC[C@]2(C)[C@@H](OC(=O)C[C@@H](C)CC)C[C@H](C(=C)C(=O)O)C[C@@H]12 49180774 QVSFEOQJKPOOHP-VMRPOWQQSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro C=CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253618257 XLZOWNDECGUSCQ-CBDMQDTOSA-N 330.512 4.617 30 40 EJEB CC(=O)c1cccc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)c1 408915516 WUTNGDLOYMLWJW-CIAFOILYSA-N 333.343 4.598 30 40 EJEB COc1cc(Br)c(/C=N/c2ccc(C)c(C)c2)cc1OC 409203835 ZCKZHAMUEAEZRS-VXLYETTFSA-N 348.240 4.834 30 40 EJEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(N(C)C)cc1 409242713 XWHKUVOJRCWQDX-JWGURIENSA-N 337.467 4.502 30 40 EJEB C#CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(OCC)cc1 2414709 KOXISUKBOIQZEE-UHFFFAOYSA-N 347.414 4.552 30 40 EJEB CCc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 3443248 VFPDKAMCICRWLS-GIHPTVFISA-N 340.426 4.955 30 40 EJEB N#Cc1ccc(COC(=O)c2ccccc2Oc2ccccc2)cc1 5637530 OHXPMCUSWRDPQS-UHFFFAOYSA-N 329.355 4.708 30 40 EJEB C=C(C)C1(C(C)=O)[C@@H]2c3ccccc3[C@H]1c1c(F)c(F)c(F)c(F)c12 45071360 XNBVBCXWXMOINW-DBIVSCPCSA-N 346.323 4.985 30 40 EJEB CC(=C/c1ccccc1)/C=C/C(=O)c1cccc(N2CCCC2=O)c1 58407550 YCCQNOLFLILIKU-WLCJKZAOSA-N 331.415 4.656 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925290 HMPWCNANWMGWIQ-PLDQTKFISA-N 345.483 4.711 30 40 EJEB Cc1c2c(c(C#N)c3nc4ccccc4n13)CC[C@H](c1ccccc1)C2 170622694 MZQWOXYNJUBYPW-KRWDZBQOSA-N 337.426 4.940 30 40 EJEB Cc1ccccc1Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225855787 AASDCENVJIFZPG-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2cccc(C)c2)cc1 225888442 RRIORXZBQZUFIQ-UHFFFAOYSA-N 333.460 4.758 30 40 EJEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\Nc2ccccc2)o1 408592512 YVHAHVSJOKKKRB-HMAPJEAMSA-N 342.402 4.887 30 40 EJEB C=CCN(C(=O)c1ccc2nc3ccccc3nc2c1)c1ccccc1 408977981 XLIRTRFWHMRFCG-UHFFFAOYSA-N 339.398 4.616 30 40 EJEB Cc1ccsc1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 3376740 OBQUBBPULXOPGR-PQPQYNOBSA-N 332.428 4.763 30 40 EJEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2)S1 5550987 DPRRCBNRXMWWGX-WJDWOHSUSA-N 342.851 4.794 30 40 EJEB Cc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)o1 7779983 IYHNLDFPMUYAQO-CMDGGOBGSA-N 344.773 4.771 30 40 EJEB COc1ccc(/C=N\c2ccccc2Sc2c(C)n[nH]c2C)cc1 100505564 CBGVHBIYDMZSIY-NDENLUEZSA-N 337.448 4.937 30 40 EJEB C=CCn1c2ccccc2n2c(C(=O)CC)c(-c3ccccc3)nc12 305193 FIQZQEVQTCZNAL-UHFFFAOYSA-N 329.403 4.735 30 40 EJEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccccc1OCc1ccccc1 3902923 XVYURBUIQDMTTN-HYARGMPZSA-N 342.402 4.588 30 40 EJEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3C)cs2)cc1 4957169 NJLUMYPVSWSZEQ-RGVLZGJSSA-N 337.448 4.882 30 40 EJEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)cc2)o1 20761701 ILVJRHGOHSMKIC-LPYMAVHISA-N 340.810 4.732 30 40 EJEB Cc1ccc2c(CC(=O)[C@H](C#N)c3nc4ccccc4s3)c[nH]c2c1 69565362 BZXBACSMNCDZLY-HNNXBMFYSA-N 345.427 4.505 30 40 EJEB CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC[C@H]4C=C(O)CC[C@]4(C)[C@H]3CC[C@@]12C 118936221 YJSXWOYIDNPTIW-JVFSOQPFSA-N 344.495 4.808 30 40 EJEB C=C(C(=O)O)[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@]2(C)CCCC(=C)[C@@H]2C1 253389118 QVSFEOQJKPOOHP-YITDUUBZSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro C#CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl 409121006 XQWPTXRUEHSUCK-UHFFFAOYSA-N 336.218 4.626 30 40 EJEB COC(=O)c1ccc(Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 521561 KHTVCLRKCIBQGF-UHFFFAOYSA-N 345.354 4.929 30 40 EJEB Cc1cc(C)[n+]2c(c1C#N)S[C@H](c1ccccc1)[C@@H]2c1ccccc1 4727981 CJFNLHIODIEEFO-LEWJYISDSA-N 343.475 4.899 30 40 EJEB Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 4852240 KDGSZULNHXNZIK-MDWZMJQESA-N 331.371 4.736 30 40 EJEB N#C/N=C(/S/C=C/C(=O)c1ccccc1)SCc1ccccc1 5683355 SZVNJFAYBVYCMA-LTWOPZGVSA-N 338.457 4.887 30 40 EJEB CCc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6359121 ZNLMYEGPWPBERM-KEBDBYFISA-N 337.301 4.622 30 40 EJEB CCCCCCCCCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 8399456 CLNFSWZSLUBWIN-UHFFFAOYSA-N 334.460 4.784 30 40 EJEB CCCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20792082 CZRIJTSIKGZFEH-UHFFFAOYSA-N 335.451 4.684 30 40 EJEB O=C1Nc2cc(Cl)ccc2N/C1=C\C(=O)c1ccc2ccccc2c1 104238770 HQLUPMGGWIMVPR-WQRHYEAKSA-N 348.789 4.624 30 40 EJEB N#Cc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1 385368 APRWPYJFOUVEKL-UHFFFAOYSA-N 339.807 4.587 30 40 EJEB C=CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 8104728 CWKXRVOKZFNHEF-UHFFFAOYSA-N 339.435 4.566 30 40 EJEB CC1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 16405628 WOCLVPJDTLLCMY-VZHHCOETSA-N 338.410 4.896 30 40 EJEB Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCCCC#N)o2)cc1 36734871 GGDOVBOZSKROFO-UHFFFAOYSA-N 346.386 4.778 30 40 EJEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C=C1\C(=O)[C@H]2CC[C@@]1(C)C2(C)C 103210419 NYYAZKCVECQWJT-XHNBJFECSA-N 326.480 4.890 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1 222989003 PUBQSSYNHJMRGZ-HXUWFJFHSA-N 339.435 4.664 30 40 EJEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(O)cc1C 2128729 NZKPNRPWPABLAI-ZRDIBKRKSA-N 346.224 4.662 30 40 EJEB C[C@H]1CCC[C@@H](C)N1/N=C/c1c[nH]c2ccc(Br)cc12 13865393 HIIYQZLCLRSUGB-CJVDUHFTSA-N 334.261 4.527 30 40 EJEB COc1ccc2c(c1)CCC/C2=N/Nc1ncc(Cl)cc1Cl 105512606 XXSQTCIPGYPYKQ-HKWRFOASSA-N 336.222 4.550 30 40 EJEB CC(C)(C)c1cnc(N=C(O)c2cccc([C@@H]3CCOC3)c2)s1 328901117 YRWDRKISXYBTGZ-CQSZACIVSA-N 330.453 4.581 30 40 EJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(OC)cc2OC)C1 408564138 UZLXWVAZAUIZFS-BUYIWHAFSA-N 331.456 4.805 30 40 EJEB N#Cc1nc(-c2ccccc2F)oc1NCc1ccc(Cl)cc1 536175 IKDVFLNTRHSTBQ-UHFFFAOYSA-N 327.746 4.618 30 40 EJEB CCn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 8811538 NXJSTFXZSXHLBS-LPYMAVHISA-N 325.843 4.747 30 40 EJEB CCOc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OC 408932653 DGFMVXDWVVLXAP-NHDPSOOVSA-N 338.329 4.559 30 40 EJEB C/C(=N\Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(C)cc1 4713160 IUBWWICODIXFBZ-OEAKJJBVSA-N 336.826 4.942 30 40 EJEB Clc1nnc(N/N=C/c2cccc3ccccc23)c2ccccc12 4857032 KWAXYWXSEDCTCM-CIAFOILYSA-N 332.794 4.882 30 40 EJEB C=CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 12977461 XQJGUNPNLPFTOJ-HNNXBMFYSA-N 327.449 4.679 30 40 EJEB CCOc1ccc(Nc2c(C#N)cnc3ccc(OCC)cc23)cc1 17307996 YLILYGFAFKTBKO-UHFFFAOYSA-N 333.391 4.647 30 40 EJEB O=C1/C(=C/c2csc(-c3ccco3)n2)CSc2ccc(F)cc21 96401874 QVWNHSMXMMBPAX-UXBLZVDNSA-N 343.404 4.914 30 40 EJEB CCCCCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1 100503173 NWAPURMDWDNZET-NTCAYCPXSA-N 335.494 4.525 30 40 EJEB CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(C)cc2)cc1 5707762 PQMMZSBNJQDMMQ-RGEXLXHISA-N 335.403 4.518 30 40 EJEB O=C1N/C(=N\c2ccccc2F)S/C1=C\c1cccc2ccccc12 35647869 SSPUCHWVBKXBJN-PDGQHHTCSA-N 348.402 4.871 30 40 EJEB COc1cc(N/C=C/C(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl 44844249 RFQHNDDLRSCJFB-BQYQJAHWSA-N 345.826 4.783 30 40 EJEB C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H](OC)OC1=O 96023715 BQAWJLFWEBGZIH-UCJSMETPSA-N 330.468 4.797 30 40 EJEB biogenic Cc1ccc(-n2cccc2/C=N/OCc2ccccc2C#N)c(C)c1 408594117 FTBRQDHYWVOJTA-OEAKJJBVSA-N 329.403 4.517 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)/C(=N/O)CC[C@H]32)C1 1857795294 QLSVFSSDFUXCHZ-KRIXUIKUSA-N 345.483 4.711 30 40 EJEB Cc1ccc2nc3c(c(C(=O)Nc4ccc(C#N)cc4)c2c1)CCCC3 2635645 OLDLAFFDKDLFAH-UHFFFAOYSA-N 341.414 4.546 30 40 EJEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c1 5186546 YKQOHWZPBZNZIW-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 8570589 UBACMCDDKCTGEQ-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB N#CCc1cn(-c2ccc(Br)c(F)c2)c2ccccc12 95915962 YBYZEYMURMEDLJ-UHFFFAOYSA-N 329.172 4.598 30 40 EJEB CSc1nsc(/C=C/Nc2cccc(C(F)(F)F)c2)c1C#N 100381589 XKPGYTCSJYFYLA-AATRIKPKSA-N 341.383 4.838 30 40 EJEB Cc1cc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 177408 NMNXVJNQGYDJPM-LLVKDONJSA-N 338.476 4.922 30 40 EJEB O=C(O/N=C1\CCCc2oc3c(c21)CCCC3)c1ccc(Cl)cc1 211788 JHBJWKHTVYBFBZ-RCCKNPSSSA-N 343.810 4.709 30 40 EJEB COc1cc(OC)c(/N=C/c2c(O)ccc3ccccc23)cc1Cl 2160349 GNCOPYUPLGOZEE-SRZZPIQSSA-N 341.794 4.967 30 40 EJEB COc1ccccc1/C=N/Nc1nc(-c2cc(C)ccc2C)cs1 4957157 JDBSRZCSUURADS-RGVLZGJSSA-N 337.448 4.882 30 40 EJEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 6326923 XKEKAROEDKOXFF-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1C 8412819 NVODVXWGWNDUGM-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CC(C)Cc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 1722489 XXVYMPHZLZVJEN-UHFFFAOYSA-N 339.822 4.827 30 40 EJEB CCOc1cccc(/C=N/N(c2ccccc2)c2ccccc2)c1O 5162985 HDLOTXIURFZRPZ-CJLVFECKSA-N 332.403 4.963 30 40 EJEB C=C(C)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O 5824672 XZYPYBJQLXQCLV-FBHDLOMBSA-N 346.382 4.577 30 40 EJEB biogenic COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 6156980 VBTDOJIJGQKEOB-HXUWFJFHSA-N 337.444 4.961 30 40 EJEB CCc1ccc(/C=N/Nc2oc(-c3ccc(C)cc3)nc2C#N)cc1 27020689 GHMUTFVJSZOJGS-LPYMAVHISA-N 330.391 4.530 30 40 EJEB CCCCCCCC[C@]1(C)N=C(c2ccccc2)C(OC)(OC)N1[O] 104476040 LUAQTTAOWRCYLB-LJQANCHMSA-N 347.479 4.550 30 40 EJEB N#CC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 222964397 DRBQSJHARUIVQW-UHFFFAOYSA-N 330.309 4.513 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 408576354 SQHBHDJIUSSXEF-HNNXBMFYSA-N 327.449 4.512 30 40 EJEB Cc1ccc(N/N=C2/C=C(c3cccc4ccccc34)OC2=O)cc1 408724285 JOUULFOQBKUQQR-NMWGTECJSA-N 328.371 4.514 30 40 EJEB COCc1cc(C)nc(SCc2cccc3ccccc23)c1C#N 277532 DJHKULMVPHUPON-UHFFFAOYSA-N 334.444 4.854 30 40 EJEB O=C1CCCC2=C1[C@H](c1ccccc1)Nc1ccc3ncccc3c12 322178 TZBCBJTUFAYCRC-QFIPXVFZSA-N 326.399 4.908 30 40 EJEB CC1(C)CC(=O)C(=NNc2ccc(/N=N/c3ccccc3)cc2)C(=O)C1 4507940 ABOCDJYNTQAPQI-QURGRASLSA-N 348.406 4.828 30 40 EJEB O=C1SC(c2ccccc2)=N/C1=C\c1ccc(Br)cc1 5602641 VKPXTAJWBCDPMI-UVTDQMKNSA-N 344.233 4.510 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 6641306 UBHDINMCHSJEFZ-XBXARRHUSA-N 337.202 4.907 30 40 EJEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1O 6958607 BPOJZYPDMNDATP-VXLYETTFSA-N 348.240 4.921 30 40 EJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3)c12 8026434 GVFHXJJECZTEGC-BUHFOSPRSA-N 341.414 4.680 30 40 EJEB Fc1cccc(Cl)c1CO/N=C/c1ccccc1OC(F)F 60386263 QGQZDGIMQUIJFQ-DNTJNYDQSA-N 329.705 4.631 30 40 EJEB N#Cc1ccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 96184086 LTGBPNDCFPTOPS-UHFFFAOYSA-N 343.338 4.707 30 40 EJEB COc1ccc(OC)c(C(=O)/C=C/c2c(Cl)cccc2Cl)c1 113673792 HMTSSBJDJSEPRO-BQYQJAHWSA-N 337.202 4.907 30 40 EJEB COC1(OC)CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]23CO3)C1 253501306 PQMPPACKUYBMIW-WSBLSWJJSA-N 346.511 4.707 30 40 EJEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccccc2F)cc1 408853486 UMYIERCJBSDVCP-QRVIBDJDSA-N 349.361 4.854 30 40 EJEB Brc1cccc(-n2cccc2/C=N/Cc2ccccc2)c1 409015075 AFVZOYXTNVZNQE-XSFVSMFZSA-N 339.236 4.859 30 40 EJEB C=CCc1ccc(OC(=O)Nc2ccc(SC)cc2)c(OC)c1 1741774 NMISBQYEVLXFLV-UHFFFAOYSA-N 329.421 4.757 30 40 EJEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1O 7718166 QJMHOXPAEOONLC-FPYGCLRLSA-N 337.202 4.994 30 40 EJEB CCOc1ccc(N/C(=N\C#N)SCc2ccccc2Cl)cc1 12411805 XAKBXWROUJQGRS-UHFFFAOYSA-N 345.855 4.921 30 40 EJEB CC(C)(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCCC3)cc1 16323274 RHDQQVGTTIHYLI-UHFFFAOYSA-N 329.447 4.855 30 40 EJEB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1SCCC#N 95953489 YZZNMOJBUNBRHC-AWEZNQCLSA-N 342.489 4.812 30 40 EJEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1 408780303 AVULEDBXHTZROT-JJFYIABZSA-N 336.366 4.713 30 40 EJEB C=CCc1cc(C=O)cc(Br)c1OCc1ccccc1 408844790 IOTXWLFQDXWDCP-UHFFFAOYSA-N 331.209 4.569 30 40 EJEB C[C@@H](Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1)C(=O)O 408859429 WUQFZLJKZQOPPN-LGVXEURYSA-N 345.398 4.956 30 40 EJEB C=CCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OC 409117096 NJXZRSPLZGTALG-UHFFFAOYSA-N 347.842 4.924 30 40 EJEB O=C(O)COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409214780 YTGQVLSMCOSYRP-HYARGMPZSA-N 347.370 4.693 30 40 EJEB COc1ccccc1/C=C1/CCC/C(=C\c2ccccc2OC)C1=O 70005 LFFCQFHMMDURLU-KPNKYRRCSA-N 334.415 4.924 30 40 EJEB O=C(O)CCCC/C(=N\Nc1cccc2ccccc12)c1ccccn1 5272355 VTXFMXJKRYUOIB-HIXSDJFHSA-N 347.418 4.696 30 40 EJEB CC(C)(C)C1CCC(=N/N=C2\NC(=O)[C@@H](c3ccccc3)S2)CC1 6692896 PJAGFFUIQQQRNS-BZSJEYESSA-N 343.496 4.539 30 40 EJEB CCOc1ccc(/C=N/Nc2cc(C)nc3ccccc23)cc1OCC 41127752 MWDTXBGGMKXWKZ-HYARGMPZSA-N 349.434 4.787 30 40 EJEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1cc(F)ccc1F 71798843 OFPOOPAIEOQXBO-WCKMZMOMSA-N 341.313 4.703 30 40 EJEB Oc1cccc2c1CC/C2=N/Nc1nc(Cl)c(Cl)cc1Cl 84494331 ICOBLUUPWWUMFG-ODLFYWEKSA-N 342.613 4.510 30 40 EJEB C=C1C[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253617489 PUCXZBGPUPYKFE-ATUYINLCSA-N 342.479 4.616 30 40 EJEB CCn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409074210 PKJXKWYTUARICV-LSFURLLWSA-N 332.329 4.521 30 40 EJEB Cc1ccc(N2C(=O)C[C@H](c3ccsc3)C3=C2CCCC3=O)cc1 107138 BTVFGSNREGWABP-MRXNPFEDSA-N 337.444 4.584 30 40 EJEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)[nH]c1=O 1403375 JBMKOQRAPTUCOW-UHFFFAOYSA-N 341.197 4.887 30 40 EJEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCCC[C@H]2c2ccccc2)cc1 1715756 HEMYTSVHMYKVRD-VQTJNVASSA-N 344.476 4.817 30 40 EJEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(O)cc4O)cc3)oc2c1 3092311 USHBPQAAWRNEOE-WSDLNYQXSA-N 344.370 4.965 30 40 EJEB COc1cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)ccc1O 4922343 PMLBPFAJOGWQLL-DNTJNYDQSA-N 344.720 4.519 30 40 EJEB CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)c(O)c1 9434565 FTIFCYFKTVQYRJ-XDHOZWIPSA-N 347.256 4.752 30 40 EJEB C[C@H](/N=C(/S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 13685113 OTPUAQIJMOJQBS-JTQLQIEISA-N 340.370 4.886 30 40 EJEB CC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 19849684 CSIWGPAQYAXNQI-UHFFFAOYSA-N 335.447 4.511 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 30866019 SKFDIDLFWUGXDW-KRWDZBQOSA-N 345.826 4.701 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@]5(CO5)[C@@]4(C)CC[C@H]32)C1 253505449 PQMPPACKUYBMIW-LEKSSAKUSA-N 346.511 4.707 30 40 EJEB CC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 685937786 RFKMWKYFPCIYGF-NSCUHMNNSA-N 331.209 4.630 30 40 EJEB Cc1ccccc1/N=C1\NN=C(c2c(C)[nH]c3ccccc23)CS1 5896195 CQDPKMBULQZBSW-UHFFFAOYSA-N 334.448 4.513 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c(C)c1 12032543 JLDTWSOKPGRVKL-VCHYOVAHSA-N 347.443 4.676 30 40 EJEB C=CCOc1cccc(NC(=O)CSCc2ccccc2Cl)c1 20241947 GXGJRLDGVKAOSS-UHFFFAOYSA-N 347.867 4.777 30 40 EJEB C=CCOc1cc2c(cc1[C@H](C)c1ccc(OCC)cc1)OCO2 1582755 GKQAWHGNVBHQAX-CQSZACIVSA-N 326.392 4.531 30 40 EJEB COc1ccccc1N/N=C1\Sc2c(ccc3ccccc23)C1=O 6407749 YJFBBJJTDXBSRX-VZCXRCSSSA-N 334.400 4.562 30 40 EJEB COc1ccc(/C=N\c2ccc(NC3=NCC(C)(C)S3)cc2)cc1 18166637 GVIFGHURBHCNMK-NDENLUEZSA-N 339.464 4.739 30 40 EJEB Brc1ccc(/C=N/c2ccc(Br)cc2)cc1 100032275 XHEOIZWWHIMMFR-CXUHLZMHSA-N 339.030 4.962 30 40 EJEB C(=N/c1c2ccccc2nc2ccccc12)\c1ccc2c(c1)OCO2 101670248 MHOGHMJHDARSCE-WSDLNYQXSA-N 326.355 4.867 30 40 EJEB CC(C)C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1 225492832 KGZHEDCVKBJVDT-LJQANCHMSA-N 337.492 4.826 30 40 EJEB CC(C)(C)[C@@H]1C/C(=C/c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 245226313 QHULEUBLJXAJBQ-MZZMTWHPSA-N 332.447 4.969 30 40 EJEB CCOC(=O)c1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1 559004 NORLYPRAOOIXDU-CJLVFECKSA-N 336.435 4.604 30 40 EJEB CCCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C)CC2 4620418 YAEBAHPKIALFPV-SNVBAGLBSA-N 328.403 4.989 30 40 EJEB CCCC/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1CCCC 5214620 WDAGDTFWHPXFDD-DCBMACRLSA-N 346.496 4.568 30 40 EJEB FC(F)(F)c1cnc(/C=N/Nc2ccc(Cl)cc2)c(Cl)c1 5253189 QPPZMAVTPPOMMY-IFRROFPPSA-N 334.128 4.853 30 40 EJEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccco1 13399911 GYWGTURAIFZCGC-PDGQHHTCSA-N 348.379 4.828 30 40 EJEB CC(C)(C)c1ccc(C(=O)/C(=N/N)c2ccc(C(C)(C)C)cc2)cc1 16323033 QIVFKLOPKUXPGP-LYBHJNIJSA-N 336.479 4.827 30 40 EJEB C#CCOc1ccc(Br)cc1CNc1cccc(C)c1C 41641173 QXHQIIQBTDIDSY-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 102124451 TULZPOYSZDDDQQ-AWQFTUOYSA-N 346.839 4.617 30 40 EJEB O=C(/C=C\C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1 104133861 FYTQJBOKKJMFPY-NYLVADRISA-N 326.399 4.942 30 40 EJEB CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 7743995 XPUZOPPTDMBUKF-CMDGGOBGSA-N 333.309 4.560 30 40 EJEB C=CCn1c(SCc2ccc(F)cc2Cl)nnc1C(C)C 13326537 VWHIYPZDVVQKHU-UHFFFAOYSA-N 325.840 4.672 30 40 EJEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3cccs3)cc2s1 72229679 VTMMTDAPEPPTDQ-GRSHGNNSSA-N 344.465 4.808 30 40 EJEB C=CCc1cc(/C=N\O)cc(OCC)c1OCc1ccc(Cl)cc1 216942934 VLQLXEIQPWUHSU-MTJSOVHGSA-N 345.826 4.854 30 40 EJEB Clc1cccc(/N=C\c2ccc(N3CCOCC3)cc2)c1Cl 409096522 KLJWJHVZPARXSP-NDENLUEZSA-N 335.234 4.581 30 40 EJEB CCOc1ccc(-c2cc(-c3ccc(CC)cc3)[nH]c(=O)c2C#N)cc1 8816526 RNXNWXGMIBELQV-UHFFFAOYSA-N 344.414 4.542 30 40 EJEB C[C@@H](/N=C(/S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 13685109 OTPUAQIJMOJQBS-SNVBAGLBSA-N 340.370 4.886 30 40 EJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c1 20227566 JJSVTVIKGFKWPY-VCHYOVAHSA-N 347.443 4.676 30 40 EJEB N#Cc1ccc(NCCCOc2cccc3cccnc23)cc1Cl 78680040 ZNWWVOJBDCYCPV-UHFFFAOYSA-N 337.810 4.641 30 40 EJEB Cc1cccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]c2=O)c1 101203198 QZBQADFPUZPYPG-OEAKJJBVSA-N 339.398 4.649 30 40 EJEB CCOC(=O)c1ccccc1N/C=C/C(=O)c1cccc2ccccc12 409177990 FQUTZOMVDKLQGS-CCEZHUSRSA-N 345.398 4.825 30 40 EJEB Cc1snc(SCc2ncc(C(F)(F)F)cc2Cl)c1C#N 3063808 RKTKXCQAPWQGML-UHFFFAOYSA-N 349.790 4.683 30 40 EJEB CC(C)C(=O)/[S+]=c1\ssc2c1-c1ccccc1NC2(C)C 3878841 DWQJLGOTBBMKEZ-UHFFFAOYSA-N 336.527 4.934 30 40 EJEB O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccco1 5547740 NKUSYIJKRLRAAS-QPJJXVBHSA-N 343.722 4.997 30 40 EJEB CCOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 6246855 WPTJYRWZSKTXKD-CIAFOILYSA-N 325.799 4.733 30 40 EJEB CCCCCCCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 98045176 SQAYTZALIOMJDS-UHFFFAOYSA-N 347.484 4.596 30 40 EJEB CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1 4621163 ZGNJPWABIORJIS-DYTRJAOYSA-N 325.481 4.876 30 40 EJEB C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)Oc3ccccc32)C=C1 4726305 BJVQGFOSPIISLM-UHFFFAOYSA-N 326.419 4.713 30 40 EJEB COc1cc(C#N)ccc1OCc1csc(-c2ccc(C)cc2)n1 5230916 NBAVTZYPQIWWIW-UHFFFAOYSA-N 336.416 4.578 30 40 EJEB Cc1cc(C)c(-c2cs/c(=N\C3CC3)n2N=C2CCCC2)cc1C 7783040 UFBPXJFWKLBRAM-MRCUWXFGSA-N 339.508 4.983 30 40 EJEB C=CC[C@](O)(c1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 27242211 OJCUFKWOJKXXPD-GOTSBHOMSA-N 335.491 4.720 30 40 EJEB CC[N+](CC)(CC)CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083812844 GICNOOHBRHNTES-UHFFFAOYSA-N 348.273 4.926 30 40 EJEB CN(Cc1ccc2ccccc2c1)Cc1cn2ccccc2c1C#N 71890987 LCQUGPHVRPGOHU-UHFFFAOYSA-N 325.415 4.596 30 40 EJEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccccc2)c1C 408773812 MIXGBCDBGDBLBY-BKUYFWCQSA-N 349.390 4.762 30 40 EJEB N#CCCCSc1nnc(-c2ccccc2F)n1C1CCCCC1 3354923 TVGOAVQTCRPBJX-UHFFFAOYSA-N 344.459 4.985 30 40 EJEB CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1 4301712 VCBAMHBXHPKNGD-UHFFFAOYSA-N 331.419 4.527 30 40 EJEB COc1ccc(/N=C2/C(=O)N3c4c2cc(C)cc4[C@@H](C)CC3(C)C)cc1 4737081 GPQWNWCVMCGTIT-UAHNYKDTSA-N 348.446 4.757 30 40 EJEB O=C1ON=C(c2ccc(-c3ccccc3)cc2)/C1=C/c1ccccc1 5870291 ZEFGGNIQJNZAFO-HKWRFOASSA-N 325.367 4.698 30 40 EJEB FC1(F)C(F)(F)[C@](F)(Cl)[C@@](F)(Cl)C(F)(F)[C@@]1(F)Cl 100475536 NOLOAYRMLAKXDE-ZPAAKOCQSA-N 349.407 4.620 30 40 EJEB O=C(/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 109056013 BCBQUHNJLALFTN-SREVYHEPSA-N 332.190 4.597 30 40 EJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 947 YGMDGLJSAVHRSV-YOJOXZLJSA-N 344.495 4.696 30 40 EJEB biogenic CCOc1ccc(Nc2oc(COc3ccc(C)cc3)nc2C#N)cc1 108472 XBVKICMVWUBALJ-UHFFFAOYSA-N 349.390 4.576 30 40 EJEB COc1cccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1O 3087158 OBIWXOFWECLQBT-LPYMAVHISA-N 344.370 4.960 30 40 EJEB Cc1ccc(SC(C)(C)/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1 3134240 SAXASTQQIZEDCO-CPNJWEJPSA-N 344.436 4.977 30 40 EJEB CCCCNC(=S)N(C)/N=C/c1c2ccccc2cc2ccccc12 3338755 NPWPUDFLDXJOJH-HZHRSRAPSA-N 349.503 4.933 30 40 EJEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC 6959680 BDOVBCOITHYPAQ-UDWIEESQSA-N 333.815 4.897 30 40 EJEB FC(F)(F)c1nc2ccccc2nc1N/N=C/C=C/c1ccccc1 8888164 SPEOZYGNQPXOFM-OGMQXUJQSA-N 342.324 4.760 30 40 EJEB Cc1nc(N/N=C\c2ccccc2OCc2ccccc2)sc1C 31854513 UGIFGZJPHXUWBO-NDENLUEZSA-N 337.448 4.785 30 40 EJEB O=C(C=Nc1ccccc1)c1ccc(C(=O)/C=N/c2ccccc2)cc1 245239141 FSJLCRBAPVCMPV-SBDYRPBBSA-N 340.382 4.857 30 40 EJEB Cc1cccc(NC(=S)N/N=C2/CCCCc3ccccc32)c1C 5659955 ZNTCACAPBXVOGH-QOCHGBHMSA-N 337.492 4.721 30 40 EJEB COc1cccc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12 16840743 WPNCLEXGRJNLEJ-UHFFFAOYSA-N 327.746 4.651 30 40 EJEB N#Cc1ccsc1NC(=O)c1ccc(OCc2cccs2)cc1 31876673 NVFKOLQIRAKDMF-UHFFFAOYSA-N 340.429 4.513 30 40 EJEB CN(/N=C/c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(Cl)n1 91695051 LUMUREOGGGWCGX-DNTJNYDQSA-N 348.155 4.878 30 40 EJEB CCO/N=C1\CC(C)(C)Cc2nnc(-c3ccc(Cl)c(C)c3)cc21 5315113 DDXLNCAWMHIIRB-PTGBLXJZSA-N 343.858 4.818 30 40 EJEB N#Cc1cc2c(nc1SCc1cccc(C(F)(F)F)c1)CCC2 5571625 HFSOCAOYULWSOJ-UHFFFAOYSA-N 334.366 4.753 30 40 EJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)c1C 8415208 RMGWQXAEUQRDET-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)cc1 33639565 HKLPOHJGESDTSC-UHFFFAOYSA-N 346.426 4.517 30 40 EJEB in-vitro C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 78482892 RUUGOAHXKMWFSW-MRXNPFEDSA-N 334.419 4.613 30 40 EJEB C[C@@H](C#N)CN(C)c1ncnc2cc(-c3ccc(Cl)cc3)sc12 84638234 MRADSVNGEFCSLV-NSHDSACASA-N 342.855 4.608 30 40 EJEB CCCCCCCCCCN[C@H](c1ccccc1)P(=O)(O)O 100706065 JRUCEIRKFMFRKI-KRWDZBQOSA-N 327.405 4.593 30 40 EJEB CCN1c2ccc(/C=N\c3ccc(OC)nc3)cc2[C@H](C)CC1(C)C 260572595 XCONEAGXVAWXDN-VUZLNAKASA-N 337.467 4.953 30 40 EJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccccc2)S1 408864193 TVKJKAAMGZMPSR-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB Cc1cc(C)c(C#N)c(SCc2coc(-c3cccs3)n2)n1 5642241 JJVHDTZKJYILDN-UHFFFAOYSA-N 327.434 4.579 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 7743542 OCDJAUIBNUJIFL-XVNBXDOJSA-N 337.202 4.907 30 40 EJEB CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 39557379 LEOSDOOFFWAIMR-ZMMWMTRVSA-N 325.408 4.803 30 40 EJEB CCCCCCCCC(=O)NCCCOc1ccc(Cl)cc1 60059851 HPYIOQPMCUKMSD-UHFFFAOYSA-N 325.880 4.976 30 40 EJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 118917758 YGMDGLJSAVHRSV-UXTGZGHQSA-N 344.495 4.696 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1OC(C)C 409010752 KXJHBUFIAOBDFR-RGVLZGJSSA-N 333.815 4.895 30 40 EJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Cc3ccccc3C2=O)o1 409367556 AFNHVBIULFFKEB-RVDMUPIBSA-N 345.354 4.986 30 40 EJEB O=C(O/N=C1\CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 1396232 QNHWOHNETIBWSW-CAPFRKAQSA-N 334.202 4.891 30 40 EJEB N#Cc1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCC2 3221725 IQNIEFOBORIYSB-UHFFFAOYSA-N 337.231 4.668 30 40 EJEB C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 4923941 HJMMEWITIWCAGS-HAVVHWLPSA-N 344.414 4.846 30 40 EJEB FC(F)(F)c1cccc(N/N=C/c2cccc(Br)c2)c1 4925981 SUULAJUCZAMBHE-DJKKODMXSA-N 343.146 4.914 30 40 EJEB CN(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 57234728 RZLCKHJLSZXITQ-XMMPIXPASA-N 347.502 4.590 30 40 EJEB COc1cccc(/C=N/c2sc3c(c2C#N)CCCCC3)c1OC 102229283 DGEJZCNCKHCCST-CIAFOILYSA-N 340.448 4.656 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=N/O)[C@@]4(C)CC[C@@H]32)C1 118918585 MAIMKJVHBJVMBS-QKWMWUOKSA-N 347.499 4.791 30 40 EJEB Cc1cc(Cl)ccc1N/N=C1\C(=O)Nc2ccc(C(C)C)cc21 223730063 YHMJCNWINGPUKS-UHFFFAOYSA-N 327.815 4.540 30 40 EJEB C=CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224987369 VMVXZJNMCYNVTJ-UHFFFAOYSA-N 345.826 4.701 30 40 EJEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 408941746 PPOJCBCFQIZWQA-LICLKQGHSA-N 341.794 4.544 30 40 EJEB CCc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl 575358909 JAFFGLNKRKGMSV-UHFFFAOYSA-N 336.634 4.918 30 40 EJEB N#Cc1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 5054895 XJAQICTVFCDOES-UHFFFAOYSA-N 340.492 4.653 30 40 EJEB COc1ccc(-n2cccc2/C=N/c2ccc(Cl)cc2O)cc1 95483085 YONGVPUNQZEESN-UDWIEESQSA-N 326.783 4.596 30 40 EJEB C=CCSc1ccccc1C(=O)Nc1ccc(Br)cc1 219796743 AHHOWRMOJUHSDR-UHFFFAOYSA-N 348.265 4.980 30 40 EJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cc(OC)ccc2OC)C1 408564349 YZCSLCOKUUEDDV-BUYIWHAFSA-N 331.456 4.805 30 40 EJEB CCOc1ccc(Cl)cc1/C=N/c1cccc(C(=O)OC)c1C 409085687 FLTIDWBTTCWNDG-RGVLZGJSSA-N 331.799 4.584 30 40 EJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OCCC#N)CC[C@@H]12 3640816 SKZOMAZQGJCCKH-LLVBAIKDSA-N 339.479 4.850 30 40 EJEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 4539027 FNHVYURUALTEKK-OVCLIPMQSA-N 330.383 4.867 30 40 EJEB Cc1cc(N/N=C/c2cccc(Br)c2)nc2ccccc12 5006864 AJRBETIWQJTFET-YBFXNURJSA-N 340.224 4.752 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)c(C)c1 6266494 YLTCSSGTSUGHIB-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CCOc1ccc(/N=C/c2ccc(OCC)c(Br)c2)cc1 6962453 GPUWKCBNOZFAGK-XDHOZWIPSA-N 348.240 4.997 30 40 EJEB Oc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1 59516386 WLQHJZHGMWAQQT-GIJQJNRQSA-N 329.812 4.615 30 40 EJEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)cc1O 108253030 TWELHZDZSTWEOC-NHDPSOOVSA-N 332.806 4.844 30 40 EJEB COc1c(Cl)cc(C(=O)n2cc(C#N)c3ccccc32)cc1Cl 226361629 USPAJNHLPATRJA-UHFFFAOYSA-N 345.185 4.517 30 40 EJEB COC(=O)c1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1C 408959756 FHVIYYZIJYREAK-PXLXIMEGSA-N 336.435 4.523 30 40 EJEB N#CCC1(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)CC1 685938894 LJRKARQAFBYRIQ-SFHVURJKSA-N 326.827 4.527 30 40 EJEB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4024151 JYYRDDFNMDZIIP-SMWISZJMSA-N 328.496 4.970 30 40 EJEB biogenic CCO[P@](=O)(C#CC(C)(C)C)[C@@](O)(c1ccccc1)C(F)(F)F 4327991 LOOMGBANYDMLRT-NPMXOYFQSA-N 348.301 4.716 30 40 EJEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 6822276 KEWVZGJYONIXQL-APSNUPSMSA-N 349.169 4.535 30 40 EJEB CC(C)(C)c1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1 12401127 HMBUUJKXZYVAIF-UHFFFAOYSA-N 328.415 4.878 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118931709 UZROOFLUFHWOJQ-CXICGXRGSA-N 332.459 4.672 30 40 EJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 408954129 NAWFIVAWDGUYJH-UFFVCSGVSA-N 349.346 4.995 30 40 EJEB Cc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)s1 409240890 LUUCRSVQJPHMPW-RIYZIHGNSA-N 348.880 4.910 30 40 EJEB Cc1ccc(C(O)(C/N=C/c2ccccc2)c2ccc(C)cc2)cc1 1438156 YMDNZYJCZDLUAL-LFVJCYFKSA-N 329.443 4.658 30 40 EJEB CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1 4136876 CZXZQRNKOOZJHM-UHFFFAOYSA-N 343.434 4.586 30 40 EJEB CSc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 4517621 VYASCRIOZLMINV-NSHDSACASA-N 342.489 4.719 30 40 EJEB C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc2ccccc12 13019222 XRTHEUAKABOJDB-HNNXBMFYSA-N 346.455 4.946 30 40 EJEB CC(=O)Nc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1 104213568 ZQBMECFEYIYYFZ-UCQKPKSFSA-N 326.399 4.967 30 40 EJEB CCCCCCCCCCCCOC(=O)C1(C)COC(=O)OC1 116464675 QHTMNVZPJHSCSC-UHFFFAOYSA-N 328.449 4.624 30 40 EJEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccs3)nc1-2 408723562 WMVFNNLBORTBQL-CAOOACKPSA-N 328.418 4.523 30 40 EJEB C=CCn1c(C)c(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 408818090 ZFUNJYZCDOLGJV-UHFFFAOYSA-N 327.383 4.598 30 40 EJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(N(C)C)cc2)o1 408959988 BMTUCHUEWYYBJP-XKZIYDEJSA-N 348.402 4.770 30 40 EJEB COc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1O 4921758 IWDIHHABDCUKDC-DNTJNYDQSA-N 344.720 4.519 30 40 EJEB C[C@H]1CCCCN1Cc1ccccc1CNc1cccc(F)c1C#N 71954909 QFECTACDIVKBPP-INIZCTEOSA-N 337.442 4.684 30 40 EJEB Fc1ccc(/N=C\c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 100931198 YSCJVJUQCHGZGZ-HAHDFKILSA-N 342.377 4.824 30 40 EJEB CC[C@H](C)c1ccc2c(c1)N/C(=C/C(=O)c1ccc(C)cc1)C(=O)O2 101355910 NQSJVMPXCJYOBH-QCUKBLKESA-N 335.403 4.606 30 40 EJEB CCC/C(Cl)=N\OC(=O)Nc1cc(C(F)(F)F)ccc1OC 100228736 ZZHGIYUQMJULBM-YBFXNURJSA-N 338.713 4.615 30 40 EJEB COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2ncc(C)o2)cc1 390833917 OTAUUTXWSKOCQY-CQSZACIVSA-N 349.390 4.829 30 40 EJEB C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccccc1 408619025 FPEOXEHNGCWEOV-CSKARUKUSA-N 343.220 4.910 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(Cl)c1 409095739 IOZBAROMPIQINR-FYJGNVAPSA-N 344.842 4.708 30 40 EJEB CCOc1cc2c(cc1/C=N/c1ccc(Cl)cc1Cl)OCO2 409099444 NNBRNNVQZBRSDS-UFWORHAWSA-N 338.190 4.871 30 40 EJEB CC(=O)[C@@H](/C=N/OCc1cccc(C(F)(F)F)c1)c1ccccc1 5283716 HMWXUEXAYBJVBM-ZTBJCTOSSA-N 335.325 4.581 30 40 EJEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225846390 PLPVJRDSCKQPNU-HXUWFJFHSA-N 346.471 4.659 30 40 EJEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(F)cc2F)cc1 408850367 MGDAQFLRTALIBW-LPYMAVHISA-N 325.362 4.572 30 40 EJEB O=C1c2ccccc2N[C@@H](c2ccccc2)N1N=C1CCCCCC1 79724 UPLIBMGWSORXKJ-HXUWFJFHSA-N 333.435 4.963 30 40 EJEB C=CCC1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1C 4176906 LLVHGGXMXPNCGC-ZJJAWJATSA-N 335.491 4.994 30 40 EJEB C=CCSc1ccccc1NC(=O)COc1c(C)cccc1C 15819146 UGSINNDTUUAABI-UHFFFAOYSA-N 327.449 4.599 30 40 EJEB N#Cc1c(-c2ccccc2)c2c([nH]c1=O)/C(=C/c1ccccc1)CCC2 36463201 QRJJMZUSBXBRDK-NBVRZTHBSA-N 338.410 4.790 30 40 EJEB COc1ccc2cc(/C=C/C(=O)c3ccc(F)cc3)c(Cl)nc2c1 65532275 RPCNWPRRWGMHKP-WEVVVXLNSA-N 341.769 4.932 30 40 EJEB O=C(/C=C1\Nc2ccccc2N(c2ccccc2)C1=O)c1ccccc1 100486201 SNCIFQNCYLDKFM-CYVLTUHYSA-N 340.382 4.544 30 40 EJEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(OC)cc2)o1 101411335 GYTCHWKJFVBNGR-KGENOOAVSA-N 340.427 4.514 30 40 EJEB Cc1ccsc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408996920 FLKPCJRLKYOVQU-JYRVWZFOSA-N 334.853 4.602 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 409212457 MKCCGQSGQHYGPS-UDWIEESQSA-N 342.236 4.829 30 40 EJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(O)cc2)cc1OC 409380585 NYEFSNRDCAFCSP-DQAKUKQTSA-N 333.815 4.982 30 40 EJEB N#CC1(CC(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)CC1 591119161 BHCIWDZODVPFLU-UHFFFAOYSA-N 340.423 4.750 30 40 EJEB CCN1CCN(c2ccc(/N=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 3140182 QOHBACPMCDOPNI-HKOYGPOVSA-N 349.522 4.877 30 40 EJEB C=CCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 3249557 MAUVDCJSLURPBO-UHFFFAOYSA-N 342.851 4.528 30 40 EJEB O=C1/C(=C/c2ccc(N3CCC(Cl)=N3)cc2)Sc2ccccc21 4503137 OHGFACCKPZCZCO-WJDWOHSUSA-N 340.835 4.779 30 40 EJEB N#Cc1ccccc1OCCSC1=Nc2ccccc2CS1 58407061 XZBUFFPWWOANAY-UHFFFAOYSA-N 326.446 4.605 30 40 EJEB CN/C(=N\c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 91695324 ASZVPSJCVHDEMG-UHFFFAOYSA-N 348.155 4.705 30 40 EJEB CC(=O)C(=N/Nc1ccc(Cl)cc1)/C(C)=N/c1ccc(C)cc1 104317929 BDUQGXQYUZUWHE-IBGAOZTISA-N 327.815 4.798 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]23CO3)C1 2038411227 PQMPPACKUYBMIW-BCRJPVCJSA-N 346.511 4.707 30 40 EJEB N#Cc1ccc(-c2ccccc2)nc1SCc1ccc(Cl)nc1 377636 ZFUDDNCAUFLUSN-UHFFFAOYSA-N 337.835 4.961 30 40 EJEB CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C)cc2)cc1 5597178 MCPXTXLQNYVDOL-LTGZKZEYSA-N 325.408 4.755 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 222959510 GZTRFKKKTVTVSD-IBGZPJMESA-N 339.435 4.664 30 40 EJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=C/C=C/c1ccco1 409279848 KCHINPDPUQEFIH-UCLFZWFPSA-N 347.418 4.585 30 40 EJEB CCCCCn1c(/N=C/c2cc(OC)ccc2O)nc2ccccc21 2270228 CWRGNCZOEYPAFG-KGENOOAVSA-N 337.423 4.691 30 40 EJEB CCCCCCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F 2742084 JXYQQTHELUBGTI-UHFFFAOYSA-N 337.332 4.863 30 40 EJEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922246 RSTKFVLIBAIOFG-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB COc1cc(C)c(/C=N\c2ccc(C)cc2Br)cc1OC 408548943 NXWHYUJCZUSTFF-GRSHGNNSSA-N 348.240 4.834 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)c1 223180 QKPPNUDCRXWJOR-FYJGNVAPSA-N 342.358 4.889 30 40 EJEB C=C(C)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 3420858 ZHFCYTDXMMBEKC-OAHLLOKOSA-N 336.460 4.674 30 40 EJEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2ccccc2o1 8076072 KSNWTSIYDHFVGY-UHFFFAOYSA-N 331.824 4.976 30 40 EJEB CCOc1cc(/C=N\O)ccc1OCc1ccc(Cl)c(Cl)c1 11864327 JKQYLWIWFUXHNG-OCKHKDLRSA-N 340.206 4.779 30 40 EJEB CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O 14774001 QDFALZMZLBCVCD-HXUWFJFHSA-N 330.424 4.697 30 40 EJEB biogenic C=CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 20491229 XISGAJZBHWHGAV-IBGZPJMESA-N 339.435 4.664 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(Br)cc1)C2 100867513 XMPATJFZKSQGBO-PXAZEXFGSA-N 334.257 4.770 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccccc2C)cc1 225758715 IWGSLXWHVUHUAK-IBGZPJMESA-N 340.492 4.998 30 40 EJEB C[C@@H](O)c1cccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 409062364 SNHVSZYXVWFXHG-WSKFYRRCSA-N 336.218 4.855 30 40 EJEB O=C(C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)C(F)(F)F 3197823 SEHLOGBTPUWXCI-FYWRMAATSA-N 335.369 4.735 30 40 EJEB c1ccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2cccs2)cc1 6315756 YJPXTNPRQYCCLO-QJOMJCCJSA-N 332.432 4.683 30 40 EJEB C=CCNC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 6790524 SSKQRNBKXUREGD-UHFFFAOYSA-N 348.471 4.630 30 40 EJEB N#Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(F)c1 14258272 RYHSWPMFTORBAR-UHFFFAOYSA-N 343.572 4.910 30 40 EJEB CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)C1=O 36012842 KQBLYDZKTIEVTF-SQVRQVGWSA-N 331.868 4.653 30 40 EJEB Cc1cccc(/N=C/c2cc(Br)c3ccccc3c2O)n1 499401 WTAZTNKDUQMKRA-VXLYETTFSA-N 341.208 4.762 30 40 EJEB CC(C)c1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1 5560255 ZYWFIOTYQDDGIO-AQTBWJFISA-N 345.398 4.553 30 40 EJEB C=CCc1cc(C=O)cc(OC)c1OCc1cccc2ccccc12 5661118 SDAITCUSFKXSEL-UHFFFAOYSA-N 332.399 4.968 30 40 EJEB Cc1ccc(NC(=S)N/N=C2/CCCCc3ccccc32)c(C)c1 5691508 CMCWNDNNXODQAO-QOCHGBHMSA-N 337.492 4.721 30 40 EJEB N#Cc1ccccc1OCc1csc(-c2ccc(Cl)cc2)n1 12813469 WYXXTPXYZVLOGY-UHFFFAOYSA-N 326.808 4.914 30 40 EJEB C=CCOc1ccccc1NC(=O)c1ccnc2ccc(Cl)cc12 12204291 JZPOLXOHOSGZLV-UHFFFAOYSA-N 338.794 4.705 30 40 EJEB CCCCCCCCCCCCS[C@@H](CC(=O)OC)C(=O)OC 100311709 BCKUJRNQZDMSPN-INIZCTEOSA-N 346.533 4.745 30 40 EJEB C=CCc1cc(C=O)cc(Br)c1OCc1cccc(C)c1 408844005 BKAKGURMTNQLOE-UHFFFAOYSA-N 345.236 4.878 30 40 EJEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccccc1Cl 409074855 NFRITOMNKJBELW-CIAFOILYSA-N 345.826 4.854 30 40 EJEB CO/N=C/[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl 4090747 QTVDLRBSCYWXBA-IMAFCELCSA-N 334.750 4.579 30 40 EJEB CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OC 6957990 ZZQIPSSQHWEULO-YBFXNURJSA-N 348.240 4.915 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)NC2CCCCC2)o1 28229436 TWHTTYPNBAACSR-UHFFFAOYSA-N 339.435 4.650 30 40 EJEB OC(C#Cc1ccccc1)(C#Cc1ccccc1)/C=C\c1ccccc1 31601371 JJQDIWJXVDJXRH-MNDPQUGUSA-N 334.418 4.534 30 40 EJEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 94686 MOKBZKKYDJDSDD-CXUHLZMHSA-N 341.794 4.544 30 40 EJEB C#CCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 4385625 NTHTWGDZOSUGRZ-UHFFFAOYSA-N 331.202 4.555 30 40 EJEB Cc1cccc(/C=N\c2ccc(NC(=O)c3ccccc3)cc2)c1O 6217650 QENAQXWGOBWODT-HMAPJEAMSA-N 330.387 4.704 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OCC 6959315 KVNNPJOFWIMHHE-FYJGNVAPSA-N 327.811 4.810 30 40 EJEB C#CCOc1ccc(Br)cc1CNc1ccc(C)cc1C 44318200 JGQJFMDDGGACEY-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB C=CCOc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 59444450 BYKUYTNEKSVPTI-IZZDOVSWSA-N 343.220 4.910 30 40 EJEB Cc1ccc(C(=O)O)cc1/N=C/c1cccn1-c1ccc(Cl)cc1 59678299 SFLKJBRQADJJDY-CIAFOILYSA-N 338.794 4.888 30 40 EJEB C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1cccc(C)c1 1466276 MTLDFUJTZXTKAN-UHFFFAOYSA-O 337.468 4.949 30 40 EJEB CN1/C(=C\C(=O)c2oc3ccccc3c2N)C(C)(C)c2ccccc21 17721721 GTGGBHFTZAOINR-PDGQHHTCSA-N 332.403 4.509 30 40 EJEB C[C@]12CN(C(=O)c3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@@H]1CC[C@]23C 101023517 DLKZOUFFUFJOFP-ZBXQAEIJSA-N 349.261 4.538 30 40 EJEB CCOc1cc(C#N)ccc1OC(=O)c1cc(Cl)sc1Cl 69642047 JCQJSDMGQQINIT-UHFFFAOYSA-N 342.203 4.544 30 40 EJEB CCCCCCCCCCOc1ccc(C2=NCCCN2)c(O)c1 100933998 YHOGMAOZURWNMJ-UHFFFAOYSA-N 332.488 4.652 30 40 EJEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225042437 QFIQRJUDKQEZNU-UHFFFAOYSA-N 337.444 4.530 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253618258 XLZOWNDECGUSCQ-CHKVQHFGSA-N 330.512 4.617 30 40 EJEB Brc1ccccc1/N=C\c1cccn1-c1ccccc1 408851061 VKUHBOKNBMRNOE-UYRXBGFRSA-N 325.209 4.990 30 40 EJEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5148250 XHYDLDQSVHCECS-NDENLUEZSA-N 332.355 4.783 30 40 EJEB N#Cc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 15551541 QWHZIFRAISQGDZ-UHFFFAOYSA-N 339.398 4.535 30 40 EJEB CCCCCCCCCNC(=O)C(=O)Nc1cccc2ccccc12 100998108 LQLVCABWEWURJN-UHFFFAOYSA-N 340.467 4.645 30 40 EJEB CCCCCCCCc1ccc(OCCCN2CCOCC2)cc1 104342491 LMUMUHICGXHYHX-UHFFFAOYSA-N 333.516 4.691 30 40 EJEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225803072 FCMBYOTZCPFRHU-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4ccc(C#N)cc4)cc3c2C1 12590402 LYZCFRKFAYCBGZ-CQSZACIVSA-N 344.414 4.521 30 40 EJEB CCCC[N+](C)(C)CC#CC[C@](O)(c1ccccc1)C1CCCCC1 67192404 GULFIFKYCQBHAX-QHCPKHFHSA-N 342.547 4.725 30 40 EJEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118924316 QRBQTBMHAOMKGV-NJKWPEOCSA-N 331.500 4.776 30 40 EJEB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225825728 RMALFZZZURZVOU-YWZLYKJASA-N 346.471 4.659 30 40 EJEB COC(=O)c1ccc(/N=C/C(Br)=C/c2ccccc2)cc1 3237939 CUDFTAPNPLPKPS-CTGWRUSHSA-N 344.208 4.612 30 40 EJEB CCCCCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 5711810 WDBWCEQFYCIKOK-HMMYKYKNSA-N 341.411 5.000 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 8411984 GMCVEIOLENIZSD-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB Cc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)s1 20094507 CVXZBQFSRHVJII-UHFFFAOYSA-N 348.456 4.595 30 40 EJEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc[nH]1 46085326 UHKXFIGLDZAHJA-BUHFOSPRSA-N 339.398 4.764 30 40 EJEB Oc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1 59461332 PEXABUKWOVYAIC-XOKFLVCFSA-N 338.388 4.583 30 40 EJEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N=c1/[nH]c(-c3ccccc3)cs1)C2 102446366 LPZRONVVQPPYEV-PFPUYFSYSA-N 325.481 4.846 30 40 EJEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 216887848 WPARERXLFKFHFE-NTCAYCPXSA-N 342.394 4.608 30 40 EJEB Cc1ccccc1CSc1nc(N)c(C#N)c(C2CCCCC2)n1 223662852 BAWGXEDAVDJOJL-UHFFFAOYSA-N 338.480 4.579 30 40 EJEB Cc1ccc(C)c(/N=C\c2ccccc2I)c1 408552005 RDBVKUXYHWVSDP-YVLHZVERSA-N 335.188 4.659 30 40 EJEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)cc1O 409245313 QSFPYMQUQOBJRA-BKUYFWCQSA-N 344.842 4.795 30 40 EJEB CCCCCCCCNC(=O)COc1ccc(Cl)cc1Cl 3095518 ISRUKRPNNYWDTO-UHFFFAOYSA-N 332.271 4.849 30 40 EJEB C[N+](C)(CC(=O)c1ccc(Cl)cc1)Cc1cccc2ccccc12 1769311 UHJTVGITBUSYHS-UHFFFAOYSA-N 338.858 4.953 30 40 EJEB CCCCC[C@@H](C=O)CCC(=O)c1ccc(Br)cc1 2269434 NLQFAVJFJNGITK-CYBMUJFWSA-N 325.246 4.807 30 40 EJEB COc1ccc2cc(/C(C)=N/Nc3nc4ccccc4o3)ccc2c1 4965938 ZPVPPEJXNJVUAU-LPYMAVHISA-N 331.375 4.826 30 40 EJEB C(=N/Nc1nc2ccccc2nc1-c1ccccc1)\c1cccs1 39931645 JEFAWIIYFVGOHJ-DEDYPNTBSA-N 330.416 4.804 30 40 EJEB COC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1Cl 408849392 WLCRZWPGXFPPGT-NHDPSOOVSA-N 340.810 4.677 30 40 EJEB CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCCC2 4899342 JFHIXANWPGTDEX-RGVLZGJSSA-N 343.448 4.568 30 40 EJEB C/C(=N\Nc1ccc(F)cc1F)c1cccc(Br)c1 4933082 FMLFIZZSYMQYTC-GIJQJNRQSA-N 325.156 4.563 30 40 EJEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccnc2)c2ccccc21 18181895 RJQDJLBFYHEVGX-OAQYLSRUSA-N 342.423 4.948 30 40 EJEB C=CCOc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 65749561 QZTJQEVYNXMFAB-UHFFFAOYSA-N 333.840 4.636 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)cc1 225478180 HEEOVFWRACDLCN-INIZCTEOSA-N 340.492 4.916 30 40 EJEB COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)c(C)c1 408960064 IXNAFCACIAOZDB-PXLXIMEGSA-N 336.435 4.523 30 40 EJEB CC(C)c1ccccc1-n1c(S[C@H](C)C#N)nc2ccccc2c1=O 3444409 RFGJWDGBRMULDE-CQSZACIVSA-N 349.459 4.513 30 40 EJEB N#CCCCOc1cccc(CN[C@@H]2CCSc3ccccc32)c1 96403298 RLSCRAVOYPNNHB-LJQANCHMSA-N 338.476 4.696 30 40 EJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccc(C)c1 97104984 FBTRBADUTASPPS-UNMCSNQZSA-N 348.442 4.623 30 40 EJEB N#C[C@H](c1ccc(N)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1731814 RTOYAUPYTHGILO-FCHUYYIVSA-N 340.426 4.933 30 40 EJEB C=CCc1ccc(OC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 1741511 SKKUNAVMCNIXKC-UHFFFAOYSA-N 331.799 4.996 30 40 EJEB COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OC 7353058 IZLAQSPJVUWJMT-ACCUITESSA-N 348.398 4.762 30 40 EJEB CCOc1cccc2cc(C(=O)Nc3sc(C)c(C)c3C#N)oc12 9133824 WDKAISYXYAVWAV-UHFFFAOYSA-N 340.404 4.634 30 40 EJEB CC1(C)[C@H]2CC/C(=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@]1(C)CC2 13405713 QBXNDHCLWAAXCS-JAXHVZOPSA-N 346.387 4.507 30 40 EJEB C[C@H](Nc1ccc(CC#N)cc1)c1nc(-c2ccc(Cl)cc2)no1 89913662 NKEBYUZFSYJNED-LBPRGKRZSA-N 338.798 4.629 30 40 EJEB FC1(F)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)[C@@]1(F)Cl 109131652 NOLOAYRMLAKXDE-XZIMBLGRSA-N 349.407 4.620 30 40 EJEB C/C(=N\c1ccccc1/N=C/c1ccccc1O)c1ccccc1O 226993581 ZKSFOZPEGKXJHI-HOFJZWJUSA-N 330.387 4.989 30 40 EJEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(F)cc1 408737820 HOQVRLGSKRWMKO-WSDLNYQXSA-N 336.366 4.682 30 40 EJEB C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1 2448523 DQEVXWFXHPOXFG-FMIVXFBMSA-N 333.460 4.937 30 40 EJEB N#Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1 8036706 UNDQRZWVHJZNAL-UHFFFAOYSA-N 346.455 4.505 30 40 EJEB Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2ccc(Cl)cc2)c1Cl 33376507 BZVXOWRTRJLCPA-SREVYHEPSA-N 349.139 4.642 30 40 EJEB CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 39557381 LEOSDOOFFWAIMR-XCGVQGCYSA-N 325.408 4.803 30 40 EJEB Cc1noc(C)c1/C=C1\SC(O)=N\C1=N/c1ccc(Cl)cc1 72401482 SFAIXXCHBKSHMY-QPEQYQDCSA-N 333.800 4.677 30 40 EJEB Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(C(C)C)cc2)cc1 254379913 YVPIYJSVGQNMID-UHFFFAOYSA-N 336.464 4.922 30 40 EJEB O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1)c1ccco1 243573 WKJNORJROPHQGO-RGVLZGJSSA-N 340.766 4.642 30 40 EJEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 6560947 MERBZTQDXSUSMG-UKTHLTGXSA-N 338.407 4.646 30 40 EJEB FC(F)(F)c1ccccc1/N=C1\SCCN1Cc1ccccc1 7191726 JMUACABOPBOWHG-PGMHBOJBSA-N 336.382 4.942 30 40 EJEB O=C1C2=C(Nc3nc4ccccc4n3[C@@H]2c2ccccc2)c2ccccc21 51367087 XARFSZAXZZBZLJ-OAQYLSRUSA-N 349.393 4.659 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 222846376 SEIDUMUBFJTVLE-AWEZNQCLSA-N 345.826 4.619 30 40 EJEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1cccc(F)c1 225882510 BLSCEWFJKALZNC-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB C=CCOc1cc2c(cc1[C@H](C)c1ccc(OCCC)cc1)OCO2 1586958 HKGGVDSNYSWUCQ-OAHLLOKOSA-N 340.419 4.921 30 40 EJEB c1ccc(N/N=C2\C/C(=N\Nc3ccccc3)c3ccccc32)cc1 4013232 QSSNQDODUJUVDU-CTWPWMDCSA-N 326.403 4.723 30 40 EJEB O=C1C(O)=C(CCCc2ccc(Cl)cc2)C(=O)c2ccccc21 5647198 NUIGGYAJMVTKPR-UHFFFAOYSA-N 326.779 4.554 30 40 EJEB C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC 31155942 AKIRMBMADXTLAC-RHDWAJSZSA-N 348.483 4.749 30 40 EJEB biogenic,in-vitro O=C(/C=C/c1cc(OCc2ccccc2)ccc1O)c1ccccc1 199574714 FRXHUPKTYPUSRT-ACCUITESSA-N 330.383 4.867 30 40 EJEB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1F 606422389 VZGLWKFSFPRJOA-UHFFFAOYSA-N 335.382 4.729 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 3210961 YBFXPKMRPYKNTA-UHFFFAOYSA-N 345.836 4.649 30 40 EJEB Cc1cccc(NC(=S)N/N=C/c2ccc(C(C)C)cc2)c1C 3266240 IYHXPJSVVFXUBO-UDWIEESQSA-N 325.481 4.747 30 40 EJEB Fc1ccc(N/N=C/c2cccc(OCc3ccccc3)c2)c(F)c1 4922946 IHBPCDYNCPDVBB-YDZHTSKRSA-N 338.357 4.990 30 40 EJEB CCCOc1ccc(/C=N/Nc2ccc(F)cc2F)c(OCCC)c1 4923664 AEZBGBMZIZXGKW-LPYMAVHISA-N 348.393 4.988 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C\c2c3ccccc3cc3ccccc23)nc1 5590252 NAZWXVWMNBPKEN-XKZIYDEJSA-N 342.358 4.742 30 40 EJEB N#Cc1cnc(Nc2nc3ccccc3s2)nc1-c1ccc(F)cc1 9013574 VZMYWOYBGZAQEB-UHFFFAOYSA-N 347.378 4.508 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2OC)cc1 44842941 MDTSHMKULFEROC-BUHFOSPRSA-N 325.408 4.683 30 40 EJEB CCCCCCCCOCCNC(=O)c1ccc(OCCCC)cc1 100285244 XKXUODXWOQNSCM-UHFFFAOYSA-N 349.515 4.972 30 40 EJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/Nc2ccccc2)c1C 408915788 YNYRHYUMOCKCLR-LPYMAVHISA-N 347.418 4.547 30 40 EJEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1O 409209804 JCQIMWQAQJFNPM-GIJQJNRQSA-N 334.213 4.531 30 40 EJEB Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)c(O)c1 61788 HEFGKQZJDOSGEV-REZTVBANSA-N 340.604 4.573 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2C)o1 27983962 RRFACUJTEJDKKN-INIZCTEOSA-N 339.435 4.602 30 40 EJEB CCCCc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 39557412 UFDAHTRSOORTOK-HFITWMCCSA-N 325.408 4.632 30 40 EJEB CN(Cc1cccc(Cl)c1Cl)c1ncc(C#N)cc1Cl 58331978 ZLSBYGVLMIJIDO-UHFFFAOYSA-N 326.614 4.550 30 40 EJEB C=CCOc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 408573356 CJYRCLQCNNWIOS-UHFFFAOYSA-N 341.476 4.740 30 40 EJEB C=C(C)C(=O)Nc1ccc(-c2nc3cc(C(=O)C(=C)C)ccc3[nH]2)cc1 1445449 CWFWIHBAELDTDN-UHFFFAOYSA-N 345.402 4.503 30 40 EJEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 13625448 UXPJOAORPAFLSI-SOFYXZRVSA-N 349.169 4.535 30 40 EJEB Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 16737524 FUTHYBOCGFDGCS-GIJQJNRQSA-N 329.812 4.615 30 40 EJEB CC(C)(C)c1ccc(OCC(=O)n2cc(C#N)c3ccccc32)cc1 226362057 LNJXBQMUDMCYLZ-UHFFFAOYSA-N 332.403 4.530 30 40 EJEB Oc1c(Cl)cc(/C=N/Nc2nc3ccccc3s2)cc1Cl 5046773 UKNRBTLCZIUIKV-REZTVBANSA-N 338.219 4.755 30 40 EJEB CCCC[C@H](OC(=O)C(F)(F)F)C1=C(Cl)CC(C)(C)CC1=O 5246373 UZNGOXVPSKQRLD-NSHDSACASA-N 340.769 4.533 30 40 EJEB Cc1ccc(COc2ccc(C(=O)/C=C(\O)C(F)(F)F)cc2)cc1 408702609 LHBMGJPTKPVIMZ-YVLHZVERSA-N 336.309 4.761 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2ccccc2C)cc1OCC 409116324 NKIJRAXNZGPKJA-UHFFFAOYSA-N 335.447 4.746 30 40 EJEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 186238 UMCSZBBVDPMJBP-OAQYLSRUSA-N 348.446 4.923 30 40 EJEB CCN(CC)c1ccc(/C=N/c2cc(Cl)ccc2O)c(OC)c1 5311725 QSNYONNAMUYXOB-UDWIEESQSA-N 332.831 4.651 30 40 EJEB CN(C)CC/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccccc1 16953413 IKAXHSHZARTANE-FXBPSFAMSA-N 336.266 4.761 30 40 EJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2O)cc1OC 409379858 ADXCTKZSZDBZLS-WXYNYTDUSA-N 333.815 4.982 30 40 EJEB O=[N+]([O-])C(/C=N/c1ccc(Cl)cc1)=C/Nc1ccc(Cl)cc1 4891260 FXZMGOUUXDYPTD-MPGSNBGNSA-N 336.178 4.926 30 40 EJEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 5176305 XFUHMJBMQIPPCB-MTJSOVHGSA-N 343.382 4.585 30 40 EJEB Oc1ccccc1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 17720141 BXNNSVSYOZRPCZ-RLMIWOPVSA-N 347.458 4.726 30 40 EJEB CCn1c2ccccc2c2cc(/N=C(/C(=O)OC)C(F)(F)F)ccc21 102936464 NQHKMUALWSTRFJ-JWGURIENSA-N 348.324 4.622 30 40 EJEB CN(C)c1ccc(/N=C(/C#CC#Cc2ccccc2)c2ccccc2)cc1 104061373 KVNGGULMYJPBNE-QPLCGJKRSA-N 348.449 4.929 30 40 EJEB C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 529201 KILGTLYTTPXMDA-UHFFFAOYSA-N 344.462 4.777 30 40 EJEB O=C(/N=C1\c2ccccc2CN1c1ccccc1)Nc1ccccc1 3195174 XCXZCNGZLRXNAL-BSYVCWPDSA-N 327.387 4.686 30 40 EJEB CSc1ncccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 3297707 DMVSAJOACSJCCG-UHFFFAOYSA-N 346.411 4.561 30 40 EJEB CN(C)c1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cc1 4017459 UKBRUGFANDKMQW-OVCLIPMQSA-N 327.427 4.901 30 40 EJEB C#CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl 8811588 SDUJIFPEBBVIPB-BUVRLJJBSA-N 348.833 4.629 30 40 EJEB N#Cc1ccccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118804 ZAZMUZVGEPDJIJ-YDZHTSKRSA-N 335.794 4.595 30 40 EJEB COc1ccc(/C=N/OCc2ccccc2)cc1OCc1ccccc1 6626941 FMAAHPMLKKBMTA-HZHRSRAPSA-N 347.414 4.825 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1OC 7007395 BJOWDZIHLBFCDO-VQHVLOKHSA-N 336.309 4.619 30 40 EJEB C/C(=N\N=C(/S)NCc1ccccc1)c1ccc(C(C)(C)C)cc1 8690541 FPDMXLIDOJCXGJ-PXLXIMEGSA-N 339.508 4.784 30 40 EJEB CCCCCCCCCCCCCCCC(=O)NC[C@H](CO)OC 77300618 BYJBRCRLFRIREO-LJQANCHMSA-N 343.552 4.591 30 40 EJEB in-vitro C/C(=C\C(=O)c1ccc(Br)cc1)N[C@H](C)c1ccccc1 409057603 KDMFLWUDSXPXNZ-XTZCOPOCSA-N 344.252 4.886 30 40 EJEB CC(C)c1ccc(CSc2nnc(S[C@H](C)C#N)s2)cc1 6000055 UGEVSZAODOMNAJ-LLVKDONJSA-N 335.523 4.958 30 40 EJEB COc1ccc(/C=C2/CCC/C(=C/c3ccc(OC)cc3)C2=O)cc1 12340162 ZYMUNTZVOUBQAI-DJTQBEGKSA-N 334.415 4.924 30 40 EJEB Cc1cc(F)ccc1N/C=C/C(=O)c1ccc(Br)cc1 44843493 CEGUWSXEAFSUET-CMDGGOBGSA-N 334.188 4.705 30 40 EJEB CCCCSc1nsc(SCC(=O)c2ccccc2)c1C#N 3670102 KLZQOWYWFSIUTI-UHFFFAOYSA-N 348.518 4.882 30 40 EJEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccccc1Cl 8337842 OBWMSXKUZRRZDR-VAWYXSNFSA-N 349.821 4.684 30 40 EJEB C[C@@H](C#N)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 8711042 IYURREFXYQSMDX-QMMMGPOBSA-N 339.367 4.705 30 40 EJEB CCOc1ccc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc1OC 24567220 BDKUHNTYVCVXEF-PKNBQFBNSA-N 335.403 4.780 30 40 EJEB CC(C)=NNc1nc2c([C@H](O)c3ccccc3)cc(Cl)cc2s1 57327698 JSYSJHWZFMHAJN-MRXNPFEDSA-N 345.855 4.839 30 40 EJEB Brc1cc(/C=N\C2CCCCC2)oc1Br 408850460 NWZMVCJDPCZVFL-AUWJEWJLSA-N 335.039 4.556 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409044471 CPPWPIAROVRKIK-VXLYETTFSA-N 349.173 4.664 30 40 EJEB COc1ccccc1N[C@H](C#N)c1ccccc1OCc1ccccc1 479573 KYFXPHPBTUJULU-HXUWFJFHSA-N 344.414 4.951 30 40 EJEB in-vitro O=C(CCc1ccccc1)ON=C1c2ccccc2-c2ccccc21 3042453 CSZHFMBLPAOZQO-UHFFFAOYSA-N 327.383 4.595 30 40 EJEB Oc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1 4837988 OEUWVFXGKLSLJI-UBKPWBPPSA-N 331.586 4.504 30 40 EJEB CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 5551600 BXRJCAXBWISRJW-WJDWOHSUSA-N 342.851 4.794 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20460958 IYGVYFFUTSXCRY-INIZCTEOSA-N 339.435 4.781 30 40 EJEB CS/C(=N\Cc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 36611506 XMQAOZVHPQTLNP-UHFFFAOYSA-N 328.525 4.712 30 40 EJEB N#Cc1ccsc1NC(=O)NC(c1ccccc1)c1ccccc1 42381178 VOQVIPFBSJIEPD-UHFFFAOYSA-N 333.416 4.531 30 40 EJEB C=CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 408901373 DTCMSXPUQPGAPH-XSFVSMFZSA-N 341.414 4.633 30 40 EJEB Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1C 4075655 QFZAODJRNCFMFL-UHFFFAOYSA-N 333.416 4.551 30 40 EJEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 5156139 CQKFGDZKTTZRAL-NHDPSOOVSA-N 343.382 4.585 30 40 EJEB C=CCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 8282488 SBSKPHXTMNCPNC-UHFFFAOYSA-N 342.851 4.528 30 40 EJEB O/N=C(\c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 13125634 FYOHMKXNOOSMNU-RGVLZGJSSA-N 335.112 4.634 30 40 EJEB Cc1ccccc1/C=C1/S/C(=N\c2ccccc2Cl)NC1=O 15011795 GCGPFXLXWXEZCE-XNTDXEJSSA-N 328.824 4.540 30 40 EJEB Sc1nnc(C2CCCCC2)n1/N=C/C(Cl)=C\c1ccccc1 15979122 URVLMQHGANREAC-RRRJGDELSA-N 346.887 4.728 30 40 EJEB Oc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718186 OYGVUFJRBLRCQP-HYARGMPZSA-N 341.370 4.860 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 409076192 ZGEFZJASYRRCFI-MTJSOVHGSA-N 349.261 4.889 30 40 EJEB C[C@@]1(c2ccccc2)O[C@H]1C(=O)N(c1ccccc1)c1ccccc1 1564166 JPQOSLFMZWFPKG-UNMCSNQZSA-N 329.399 4.666 30 40 EJEB N#CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 4246634 VYXUNSFBPSYSJM-UHFFFAOYSA-N 347.365 4.719 30 40 EJEB FC(F)(F)c1cccc(N/N=C/c2ccccc2Br)c1 5019089 FMNABGYUWFWNNF-DJKKODMXSA-N 343.146 4.914 30 40 EJEB CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccccc2C#N)O1 13756715 AXGFRCQJTXXMKQ-SKLSXVDLSA-N 330.387 4.968 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 44842346 ZPQYGZXELRFCMU-HXUWFJFHSA-N 339.435 4.664 30 40 EJEB C[C@H]1CCCC[C@H]1/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82077141 RUHXGWLESZDFTQ-XJKSGUPXSA-N 342.405 4.672 30 40 EJEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 100299654 FSIGWXQHNOGDFP-LMDBJESCSA-N 347.443 4.792 30 40 EJEB C=CCc1cccc(/C=N/c2ccc(C)cc2Br)c1O 101332546 YSWWASCLSKNMKN-YBFXNURJSA-N 330.225 4.942 30 40 EJEB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C#N)c1 225678976 UPPOWSHLWZBNOD-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB COc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 408618120 CCXPLELRFFLSRF-NTEUORMPSA-N 331.415 4.999 30 40 EJEB FC(F)(F)CNc1ccccc1OC(C(F)(F)F)C(F)(F)F 1083811816 TWTBXOGJAZHHDI-UHFFFAOYSA-N 341.173 4.533 30 40 EJEB CC(C)(C)c1csc(N/N=C/c2c(O)ccc3ccccc23)n1 4616832 ZXACBRNDSDKEDF-VXLYETTFSA-N 325.437 4.745 30 40 EJEB Cc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1Br 10118853 VWZXNIYTZUDLIX-VXLYETTFSA-N 337.648 4.535 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)o1 25046515 OGGQMIKOQYZBAT-VMPITWQZSA-N 325.389 4.520 30 40 EJEB C/C(=N/O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 100067402 PYOMNTQHOYAXHS-GXHLCREISA-N 334.750 4.604 30 40 EJEB C=CCOC(=O)c1ccc2[nH]c(-c3ccc4ccccc4c3)nc2c1 216728239 NPCHJYNQUUAIFC-UHFFFAOYSA-N 328.371 4.726 30 40 EJEB COc1cc(C)c(/C=N/c2ccc(Br)c(C)c2)cc1OC 408548900 NBRGKHZDUIMKAJ-VXLYETTFSA-N 348.240 4.834 30 40 EJEB Fc1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 408857262 LPQJJMOVURWXMK-VCHYOVAHSA-N 337.192 4.532 30 40 EJEB C=CCc1cc(CO)cc(OCC)c1OCc1ccc(Cl)cc1 409117155 QJOLALBFEZRFMW-UHFFFAOYSA-N 332.827 4.539 30 40 EJEB COc1ccc(-c2nc(-c3ccc(C)cc3)nc(Cl)c2C#N)cc1 1385865 DWOJMWAYTPBEPE-UHFFFAOYSA-N 335.794 4.653 30 40 EJEB C/N=C(/c1cccc(C(F)(F)F)c1)N(C)c1ccc(Cl)cc1 4049980 BBAJSENQTJYXFC-QNGOZBTKSA-N 326.749 4.872 30 40 EJEB C=CC[C@H]1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=S 101196443 UPCZEHCWRAYRMR-PQJBRBTKSA-N 333.503 4.623 30 40 EJEB CC#C[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932932 YYUZCVKFYYSLNG-MIXOHRJOSA-N 342.523 4.599 30 40 EJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)nc2)cc1OC 409388326 UAOUSAOPIVMYEO-SVKBEJCWSA-N 348.830 4.680 30 40 EJEB C=CCSc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2277692 DMRQZFKOHSOMPL-UHFFFAOYSA-N 341.505 4.959 30 40 EJEB N#Cc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1 2726613 KPKRJBBCNWSXAV-UHFFFAOYSA-N 343.411 4.809 30 40 EJEB COc1cc2c(cc1/C=N/N(c1ccccc1)c1ccccc1)OCO2 9296402 KNQQFCKSNDEHOC-HYARGMPZSA-N 346.386 4.596 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 216888693 NTTAIRWSKROLME-PKNBQFBNSA-N 342.822 4.970 30 40 EJEB Cc1cc2oc(C(=O)Nc3cccc(F)c3C#N)c(C)c2cc1Cl 526052236 HWCVSSSDULVRML-UHFFFAOYSA-N 342.757 4.966 30 40 EJEB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C1 133301 SILUSGJNEZFCDK-CFRMROPGSA-N 336.460 4.787 30 40 EJEB N#Cc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl 6947328 WWRROEMNZKRIAR-UHFFFAOYSA-N 337.231 4.596 30 40 EJEB C=CCOc1cccc(NC(=O)CCSCc2ccccc2)c1 13688139 KXKVWADNWGNZLD-UHFFFAOYSA-N 327.449 4.513 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 30849984 YUTCFBKCKCWTBH-QGZVFWFLSA-N 339.435 4.583 30 40 EJEB N#C[C@@H](C(=O)Nc1cccc2ccccc12)c1nc2ccccc2s1 58293369 ZSFHGIMOSRQTKJ-HNNXBMFYSA-N 343.411 4.695 30 40 EJEB O/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 39280 BNWQNTUYGZZTTP-MKMNVTDBSA-N 332.606 4.655 30 40 EJEB N#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N 39407 IAIXMAGERSFZMA-UHFFFAOYSA-N 348.365 4.832 30 40 EJEB N#CCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 1425959 LEOJPMADBJBVDA-UHFFFAOYSA-N 340.426 4.790 30 40 EJEB Cc1nn(C(C)(C)C)c2c1[C@H](c1ccsc1)C1=C(CCCC1=O)N2 4980004 AKGRNXNTTLFIIQ-INIZCTEOSA-N 341.480 4.573 30 40 EJEB CCCN1CCC(=NNc2cc(C(F)(F)F)ccc2Cl)CC1 6046989 YVDJEZUVMGGUJC-UHFFFAOYSA-N 333.785 4.633 30 40 EJEB N#Cc1c(NC(=O)c2ccc3c4c(cccc24)CC3)sc2c1CCC2 8379859 VULQNKXKXXPBKR-UHFFFAOYSA-N 344.439 4.613 30 40 EJEB Cc1cc(N/N=C(\c2ccccc2)c2ccccn2)nc2ccccc12 17127488 BJDHTGKLKCROGB-XTCLZLMSSA-N 338.414 4.803 30 40 EJEB C=CCC/C=C/C#CCCCCCCCC[C@H]1C(=O)O[C@H](C)[C@@H]1O 31165197 XVTXMBZTDMASHY-JCHUFIKGSA-N 332.484 4.555 30 40 EJEB biogenic,in-vitro Cc1ccccc1-n1c(-c2ccccc2)c2c(c(C#N)c1=O)CCCC2 95117548 GVIAKWIELBLKRP-UHFFFAOYSA-N 340.426 4.563 30 40 EJEB O/N=C\c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 100468464 FAXRZDIWHUIJLR-MPUCSWFWSA-N 339.704 4.506 30 40 EJEB C=C(C)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1 490577 MBAJMQHJKDRWAB-UHFFFAOYSA-N 336.387 4.732 30 40 EJEB biogenic CO/N=C/[C@@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl 4090745 QTVDLRBSCYWXBA-YIFSTYHKSA-N 334.750 4.579 30 40 EJEB Clc1cccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1 5646890 SSYAPQIMVRHBGY-RGVLZGJSSA-N 336.782 4.922 30 40 EJEB Fc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1 10118803 VJZYRCSTLRYMOD-WSDLNYQXSA-N 328.774 4.863 30 40 EJEB CCCOc1ccc2ccccc2c1CN(C)c1ncccc1C#N 26227182 OIVWNFALUWNUCO-UHFFFAOYSA-N 331.419 4.532 30 40 EJEB O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 34857800 AUFJTTAFYROLBQ-ORCRQEGFSA-N 338.146 4.503 30 40 EJEB CCCOc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1OCCC 58482229 WQPVKHCSNZLOFI-OAHLLOKOSA-N 339.439 4.704 30 40 EJEB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225843888 LTYQUXCINOWLCO-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(N(C)C)o1 408857587 VEEGSJDYQOQHBT-CAOOACKPSA-N 341.636 4.821 30 40 EJEB CCCOc1ccc(-c2c(-c3ccc(C)cc3)c[nH]c(=N)c2C#N)cc1 408987382 XDSLXNFSVAHNHF-UHFFFAOYSA-N 343.430 4.797 30 40 EJEB Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 32915307 XMBAGDINYSSFQM-MDZDMXLPSA-N 330.409 4.553 30 40 EJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)cc1C 33027032 IBRTYHBRKQSGJZ-UHFFFAOYSA-N 349.390 4.576 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 33394791 DTHOQWRCORRYTE-ODLFYWEKSA-N 341.754 4.954 30 40 EJEB COc1cccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 101093596 JUTXCBDQSFLYBU-UHFFFAOYSA-N 327.383 4.872 30 40 EJEB O=[N+]([O-])c1ccc(COc2cccc(/C=N/Nc3ccccc3)c2)cc1 408566061 DDMBWAUSLVTLBN-KGENOOAVSA-N 347.374 4.620 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 408691543 DHPFVLQGKDJQIF-ZRDIBKRKSA-N 332.355 4.849 30 40 EJEB CCNc1ccccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O 4667377 DOVIVHXZCDQNDE-ZHACJKMWSA-N 348.229 4.682 30 40 EJEB O=C(/C=C\c1ccco1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 17213441 XXIDJBJIWXDWAQ-QXMHVHEDSA-N 343.386 4.664 30 40 EJEB CC(=O)/C(=C/c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 36056586 FDAUAWCWYPKAFJ-FPLLADARSA-N 328.452 4.663 30 40 EJEB N#Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1 65884448 QCGWYCBXXAOQNL-OAQYLSRUSA-N 326.399 4.689 30 40 EJEB CC(C)(C)[C@H]1C/C(=C/c2ccccn2)C(=O)/C(=C/c2ccccn2)C1 245296594 LSJAFGPDIQTRTL-VEKAOTLUSA-N 332.447 4.969 30 40 EJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl 408706811 FBKSHVBJFQPFFP-UHFFFAOYSA-N 338.879 4.535 30 40 EJEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 409213421 UUROKFDGKIAHPH-MVLGTPAKSA-N 341.480 4.565 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3sccc3C)S2)c(C)c1 13880735 NARNKOLBNFQLNO-DHDCSXOGSA-N 328.462 4.565 30 40 EJEB CC1=C/C(=N/OC(=O)c2ccccc2Br)CC(C)(C)C1 33306263 DKDNJLJBXFPMLI-PDGQHHTCSA-N 336.229 4.728 30 40 EJEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2/C(=N/Nc1ccccc1)C(F)(F)F 33561606 DMGQWPFEZYBJLJ-QZHWTVDUSA-N 338.373 4.658 30 40 EJEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccccc1F 225881381 FVSYXXRXGDAXPV-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 409186683 GMDJAEVDIFVYNY-SRZZPIQSSA-N 345.826 4.729 30 40 EJEB C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 595045956 WQMBBTXTOMOUNU-SJKOYZFVSA-N 327.378 4.619 30 40 EJEB Cc1cc(C)c2c(c1)/C(=N/N=C(/S)Nc1ccc(F)cc1)CCC2 13482051 GDBNSLWPOCNRLO-RELWKKBWSA-N 341.455 4.881 30 40 EJEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccccc2C)c1C 20762443 YSUWUTATJRGNHT-BUVRLJJBSA-N 347.462 4.535 30 40 EJEB CCCCCCCCNS(=O)(=O)c1cc(Cl)ccc1Cl 108458642 YOULGJXNKVUUNJ-UHFFFAOYSA-N 338.300 4.632 30 40 EJEB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257346456 HMPWCNANWMGWIQ-WVAZTTBRSA-N 345.483 4.711 30 40 EJEB Cc1ccsc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408739701 ZQIVTJYUTUCJPW-ZSOIEALJSA-N 348.880 4.910 30 40 EJEB COc1cccc2c(/C=N/c3ccccn3)c(-c3ccccc3)[nH]c12 408844398 OIFDYIUXQORJNG-OEAKJJBVSA-N 327.387 4.989 30 40 EJEB C=CCOc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1 408978523 IXKWIZOPUNEZBY-UHFFFAOYSA-N 341.414 4.573 30 40 EJEB N#Cc1cc(Oc2ccc(Br)cc2)nc2ccccc12 190078 LJTWHTQPIAYMDD-UHFFFAOYSA-N 325.165 4.661 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 22514648 IHSUOGWZZLLZHI-QGZVFWFLSA-N 339.435 4.583 30 40 EJEB O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 33376632 LERQDSBWHWLNER-LUAWRHEFSA-N 337.306 4.890 30 40 EJEB CCCCCCCCCc1nn2c(=O)c3ccccc3nc2s1 97941841 MAMMWOYDBKQPDA-UHFFFAOYSA-N 329.469 4.597 30 40 EJEB C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)c1 219790311 IQUIMCQDNLYXBD-FQEVSTJZSA-N 339.435 4.531 30 40 EJEB N#CCCSc1nnc(-c2ccccc2F)n1C1CCCCC1 6508341 ZULHFIRFMADOBY-UHFFFAOYSA-N 330.432 4.595 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)S2)cc1 15012539 GFAWRJQPLXEXTM-WOJGMQOQSA-N 347.443 4.676 30 40 EJEB Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)cc1F 1504250513 YDPRVBGCYKSIDW-UHFFFAOYSA-N 325.183 4.636 30 40 EJEB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4403984 QETBTXOVEBTJQH-CPSDKUETSA-N 344.495 4.855 30 40 EJEB O=C1C=C(Nc2ccc(-c3ccccc3)cc2)c2ccccc2C1=O 16493171 RNNXHNXSCLZVBA-UHFFFAOYSA-N 325.367 4.572 30 40 EJEB c1ccc(COc2cc(OCc3ccccc3)cc([C@@H]3CO3)c2)cc1 22052428 IXYYQIMVOHFSDN-QFIPXVFZSA-N 332.399 4.916 30 40 EJEB in-vitro CCOC(=O)c1sc(/N=C/c2c(O)ccc3ccccc23)cc1C 95351693 MWHFHBMDNXSTEV-RGVLZGJSSA-N 339.416 4.843 30 40 EJEB CCOC(=O)c1ccc(N/C=C/C(=O)c2cccc3ccccc23)cc1 409176370 LSYLLSIDSAGKGO-CCEZHUSRSA-N 345.398 4.825 30 40 EJEB CCOc1cccc(/C=N/c2ccc(C)cc2Br)c1O 44836050 VKDFMPIMUDEDMQ-VCHYOVAHSA-N 334.213 4.612 30 40 EJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(F)cc3)o2)c1 408588388 BMEDSRWLQJQUJB-RGVLZGJSSA-N 340.310 4.545 30 40 EJEB C=CCc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1OCC 13731158 IMLDAYCQJOAZOS-MRXNPFEDSA-N 325.452 4.673 30 40 EJEB C=CCN(C(=O)NC(=S)c1cccc2ccccc12)c1ccccc1 15226173 DDPYWNRITJBOEJ-UHFFFAOYSA-N 346.455 4.918 30 40 EJEB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 22524513 MPSWBVIJWBSXRU-KRWDZBQOSA-N 344.867 4.915 30 40 EJEB O=C(O)COc1ccc(/C=N/c2cccc3ccccc23)cc1Cl 59303304 DGDFMMRRNDOJMJ-SRZZPIQSSA-N 339.778 4.707 30 40 EJEB Cc1ccc(-n2c(C)cc(/C=N\OCc3ccccc3C#N)c2C)cc1 408593063 OQUBGUFPXDDCIY-OYKKKHCWSA-N 343.430 4.825 30 40 EJEB O=[N+]([O-])c1cccc(/N=C/C(Br)=C/c2ccccc2)c1 3240711 SSSMMIUIJTWSIG-BMWMMMPHSA-N 331.169 4.733 30 40 EJEB CCCCn1c(/N=C/c2ccc(OC)c(OC)c2)nc2ccccc21 7491268 HRQXOBQFUWPTIN-KGENOOAVSA-N 337.423 4.604 30 40 EJEB N#Cc1ccc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nc1 36797967 FVFQSEDEMFYRTH-LJQANCHMSA-N 338.414 4.679 30 40 EJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C 105453353 RITGMDMYCKSAFG-UHFFFAOYSA-N 346.515 4.971 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 225461916 WFIPJJILDWYTCQ-LJQANCHMSA-N 338.476 4.615 30 40 EJEB C=CCOc1ccc(Br)cc1CNc1ccc(C)cc1 409120000 RXFKPKUYRORBJA-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 136934 MSRUWZLOKLCXGB-UHFFFAOYSA-N 339.807 4.587 30 40 EJEB Cn1cc(/C=C/C(=O)/C=C/c2cn(C)c3ccccc23)c2ccccc21 231431 KNIWOYJXHOMWEK-PHEQNACWSA-N 340.426 4.966 30 40 EJEB C[C@@H]1CCc2sc(NC(=O)c3cccc(Cl)c3)c(C#N)c2C1 4070058 BMKWBMVESSTOTE-SNVBAGLBSA-N 330.840 4.650 30 40 EJEB C=CCC1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 4176891 LLVHGGXMXPNCGC-USSLWURLSA-N 335.491 4.994 30 40 EJEB CC(/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O)=C\c1ccccc1 5544778 DIJXSWMUSVTELN-YMGXUNRSSA-N 338.407 4.664 30 40 EJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1C 8321454 SJGAGCQUTPQGCA-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB C/C(=N\Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccccc1 13940591 RXPYEJVJIALHKJ-DNTJNYDQSA-N 339.613 4.750 30 40 EJEB N#CCCSc1nc2cc(Cl)ccc2n1Cc1ccccc1 15235872 MZXWMRZAKBWHDH-UHFFFAOYSA-N 327.840 4.744 30 40 EJEB C=C1CCC[C@@]2(C)[C@H]1C[C@@H](C(=C)C(=O)O)C[C@H]2OC(=O)C[C@H](C)CC 49180767 QVSFEOQJKPOOHP-YCWNNZFFSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro N#Cc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 216811812 NNWBQRXBJQREHP-UHFFFAOYSA-N 340.579 4.692 30 40 EJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc2ccccc12 409043079 ZIMGFONFMNNTPN-GZIVZEMBSA-N 338.226 4.554 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)CCCc3ccccc3)c2C#N)C1 28433 BDKSGJFAJHJHBQ-CQSZACIVSA-N 338.476 4.706 30 40 EJEB N#CCCSc1ccccc1NC(=O)c1nc2ccccc2s1 4176940 IKPPJBWVMWFOHX-UHFFFAOYSA-N 339.445 4.554 30 40 EJEB CCCCCCC(/C=N/Nc1nc(=O)cc(C)[nH]1)=C\c1ccccc1 17014846 KHNIKCNDILKBAA-VUYRMCIOSA-N 338.455 4.530 30 40 EJEB N#Cc1ccccc1-c1ccc(CSc2nc(C3CC3)n[nH]2)cc1 22417735 INOULJNYNLDXOH-UHFFFAOYSA-N 332.432 4.513 30 40 EJEB FC1(F)C(F)(F)[C@@](F)(Cl)[C@@](F)(Cl)C(F)(F)[C@@]1(F)Cl 100475532 NOLOAYRMLAKXDE-MGGFGJSXSA-N 349.407 4.620 30 40 EJEB Cc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1 408758627 ODWMCVWYJPREAO-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB C#CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OC 409115916 IJOQRWOFJVRZAX-UHFFFAOYSA-N 329.827 4.590 30 40 EJEB N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 514023 SSBZBIPSYMXLRG-UHFFFAOYSA-N 337.231 4.668 30 40 EJEB C=CCCCCOc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)cc1 2049228 QXHTXENLYYRAFQ-UHFFFAOYSA-N 339.366 4.652 30 40 EJEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccccc1 5772344 IGIUGQYTMMYYTB-ZSOIEALJSA-N 349.242 4.885 30 40 EJEB C[C@@H](Nc1ccc(CC#N)cc1)c1nc(-c2ccc(Cl)cc2)no1 89913663 NKEBYUZFSYJNED-GFCCVEGCSA-N 338.798 4.629 30 40 EJEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccccc1F 408595360 WKIJPXGDKQXGBC-ZMOGYAJESA-N 347.393 4.656 30 40 EJEB COC(=O)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 5785947 XZROJQWYDFKGPF-CJLVFECKSA-N 330.387 4.645 30 40 EJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc2ccccc2c1 8295246 SAUDCHZRZLHBCU-QGOAFFKASA-N 330.412 4.731 30 40 EJEB CCCCCCCCCCN[C@@H](c1ccccc1)P(=O)(O)O 100706063 JRUCEIRKFMFRKI-QGZVFWFLSA-N 327.405 4.593 30 40 EJEB CN(C)c1ccc(/C=N\c2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1 104322092 VRPLRUBUDZKINE-MQXJPVLKSA-N 328.415 4.565 30 40 EJEB CC(C)(C)OC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565661228 XOFFXRRJKMKFSK-UHFFFAOYSA-N 328.224 4.551 30 40 EJEB COc1ccc(OC)c(/C=N/OCc2c(Cl)cccc2Cl)c1 15554605 ANNVIRQKEMXEQS-DJKKODMXSA-N 340.206 4.561 30 40 EJEB C=CCN(C(=O)c1ccc(CSC)cc1)[C@H]1CCc2ccccc21 32915474 OOTDUXVMFAVOMT-FQEVSTJZSA-N 337.488 4.865 30 40 EJEB O=[N+]([O-])C(=C\Nc1ccc(Cl)cc1)/C=N/c1ccc(Cl)cc1 100472765 FXZMGOUUXDYPTD-SUQUQSPJSA-N 336.178 4.926 30 40 EJEB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C#N 225819246 HMJSVOQOBJJDNW-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 408564638 ZDDXWVZDVOPNDT-HNNXBMFYSA-N 327.449 4.512 30 40 EJEB Cc1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)c([N+](=O)[O-])c1 408918799 PEQJKCXZVUWAPB-UFFVCSGVSA-N 349.346 4.995 30 40 EJEB Cc1oc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C 409078491 IACHWZQQQXPKGC-KEBDBYFISA-N 335.319 4.687 30 40 EJEB CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1 543862 XQZHOMJIMSNJCB-UHFFFAOYSA-N 332.407 4.518 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(F)cc1 35647346 LURDOAHNTNAJAA-LDADJPATSA-N 348.402 4.871 30 40 EJEB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CC#N)cc1 44844960 IVRAPNNFJHQIAH-HXUWFJFHSA-N 344.414 4.702 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2cc(C)c(Cl)cc2OC)cc1 51318911 YBDIMZYIMCIUQM-MDZDMXLPSA-N 345.826 4.864 30 40 EJEB C=CCOc1ccc(CNc2ccc(OCC)cc2)cc1OCC 409119831 ULMSATLSLHGMKS-UHFFFAOYSA-N 327.424 4.661 30 40 EJEB C/C(NC(c1ccccc1)c1ccccc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749179 HNYWDGXJXONHOD-JRJNRIIQSA-N 331.459 4.885 30 40 EJEB biogenic CC(C)(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)cc1 2766698 QGBAFHYAXKXWDX-UHFFFAOYSA-N 344.340 4.584 30 40 EJEB C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc([N+](=O)[O-])c1 5123992 YKTDBFRNXMIPFJ-HNENSFHCSA-N 337.404 4.543 30 40 EJEB CCOc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O 6339110 IJNGEOKXDBLTNA-UHFFFAOYSA-N 328.367 4.701 30 40 EJEB N#Cc1ccccc1COC(=O)c1sc2ccccc2c1Cl 6948979 SKUDYUCJSUFNAV-UHFFFAOYSA-N 327.792 4.783 30 40 EJEB O=[N+]([O-])C(/N=N/c1ccc(Cl)cc1)=N/Nc1ccc(Cl)cc1 18188269 GOKHYVPGRILSNA-JYRUFNGFSA-N 338.154 4.737 30 40 EJEB Clc1ccccc1/N=C1\NN=C(c2cc3ccccc3o2)CS1 21264084 ZXAYVHOZFABADO-UHFFFAOYSA-N 341.823 4.814 30 40 EJEB COc1ccccc1CN(Cc1cccs1)Cc1ccccc1C#N 95950791 JOEZRHMHPQXXFK-UHFFFAOYSA-N 348.471 4.831 30 40 EJEB CCCN(Cc1ccc(C#N)cc1)Cc1nc(Cl)ccc1Cl 96012926 BDPBYLWWGXCKGR-UHFFFAOYSA-N 334.250 4.672 30 40 EJEB C(=N/c1ccc(N2Cc3ccccc3C2)cc1)\c1ccc2c(c1)OCO2 100060528 VTWDKXWLKDRXOP-FSJBWODESA-N 342.398 4.686 30 40 EJEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 225676130 FGSMOGGLLTXJKI-UHFFFAOYSA-N 348.446 4.796 30 40 EJEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409092499 ZCRMZFMJXTUWNW-PGCIDKTFSA-N 337.345 4.724 30 40 EJEB COc1cccc2cccc(/C=N\c3cccc(/C=C/C(=O)O)c3)c12 4827293 ZZRDXWQJNWMTMN-NBKBGXPHSA-N 331.371 4.697 30 40 EJEB C=CCSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1 17117863 BOEQSEXSJXUIIT-UHFFFAOYSA-N 328.824 4.656 30 40 EJEB CC(C)c1nc(C#N)c(NCc2ccc(-c3ccccc3F)o2)o1 46085996 ZWRVRPMSRSOGHT-UHFFFAOYSA-N 325.343 4.681 30 40 EJEB CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OC 59109324 LWFVRLVITOQKJV-YBFXNURJSA-N 348.240 4.915 30 40 EJEB CCOC(=O)c1ccc2nc(/N=C\c3ccccc3Cl)sc2c1 104209332 NLAIBKYZEKEEEN-GRSHGNNSSA-N 344.823 4.877 30 40 EJEB Oc1ccc2ccccc2c1/C=N/N=C/c1c(O)ccc2ccccc12 1718863 SYRBOMODLUADBZ-RNIAWFEPSA-N 340.382 4.857 30 40 EJEB Cc1ccc(C(=O)O/N=C/c2ccc(OCc3ccccc3)cc2)cc1 6211607 FXHPNUWWNSYYRZ-HZHRSRAPSA-N 345.398 4.765 30 40 EJEB C=CCC1(CC=C)CCN1C(=O)c1ccnc2ccc(Cl)cc12 12325732 YDTSBTONVSITCI-UHFFFAOYSA-N 326.827 4.625 30 40 EJEB C=CCc1cc(CN[C@@H](C)c2ccccc2)cc(OC)c1OCC 13731155 IMLDAYCQJOAZOS-INIZCTEOSA-N 325.452 4.673 30 40 EJEB COc1ccc([C@H]2CCCCCN2Cc2cc(C#N)ccc2F)cc1 22516432 OYOPOQUEHCSFQU-OAQYLSRUSA-N 338.426 4.823 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2cccc(C(F)(F)F)c2)nc1 6866491 MIXAVXMXPYYZQP-QPJQQBGISA-N 333.235 4.565 30 40 EJEB COc1ccc2cc(C(=O)/C=C/c3cccc(OC)c3OC)ccc2c1 6897855 VZFVGMQFNWHMSO-ZRDIBKRKSA-N 348.398 4.762 30 40 EJEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)cc(F)c1 9088403 GZBPDTGPLLOQMH-YBTHPKLGSA-N 340.373 4.797 30 40 EJEB COc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 12371065 BTOQFUWBQRVGDY-DHDCSXOGSA-N 347.233 4.787 30 40 EJEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N\c1ccc(C)cc1 15979612 HTPHTRVGGRAEFA-BKUYFWCQSA-N 334.375 4.716 30 40 EJEB CC1(C)CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1(C)C 76094707 SHMSWLYVYOESHD-UHFFFAOYSA-N 334.419 4.611 30 40 EJEB C=CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222979377 GVERMTAQFDWRPX-MRXNPFEDSA-N 335.447 4.621 30 40 EJEB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N 225760064 LNLMEVXLGCMXEC-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB C#CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OC 409115326 IRFUXYROLIOGHT-UHFFFAOYSA-N 329.827 4.590 30 40 EJEB Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(C)c1Cl 575357375 BBICMWJKNMXBNZ-UHFFFAOYSA-N 336.634 4.972 30 40 EJEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 6549222 WQNVUQSPZOJMCQ-RUDMXATFSA-N 335.186 4.676 30 40 EJEB C=CCN(Cc1cccs1)c1ncnc2sc3c(c12)CCCC3 6550904 MFTXZKBWXQCGKR-UHFFFAOYSA-N 341.505 4.824 30 40 EJEB Oc1ccc(Br)cc1/C=N\c1cccc2c1CCCC2 44835820 OWJYPBZPHVKSKZ-ODLFYWEKSA-N 330.225 4.784 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(C)ccc2OC)cc1 44842998 DKJXCPFGCZEHSX-OUKQBFOZSA-N 339.435 4.991 30 40 EJEB FC(F)(F)c1cc(Br)cnc1C(F)(F)C(F)(F)F 97949901 AMGQFWDRHYYKHG-UHFFFAOYSA-N 343.999 4.517 30 40 EJEB CCOc1cc(C#N)cc(Cl)c1OCc1ccc(F)cc1Cl 216826998 CVHKDKQHNNTOJY-UHFFFAOYSA-N 340.181 4.982 30 40 EJEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccs2)ccc1O 408974240 XVHCWIFTARMZMJ-UDWIEESQSA-N 349.415 4.528 30 40 EJEB CCOc1ccc(Cl)cc1/C=N\Nc1ccc(C(F)(F)F)cn1 409063839 ADRYTCWPDNVHBV-WNFQYIGGSA-N 343.736 4.599 30 40 EJEB COc1ccc2ccccc2c1C(=O)/C=C/c1ccc(N(C)C)cc1 4116039 NPHXVZAJJRHHNX-GXDHUFHOSA-N 331.415 4.811 30 40 EJEB C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 4506671 TZEKDGCJVJLRLT-INIZCTEOSA-N 342.398 4.842 30 40 EJEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(C)c(Br)c1 9554161 FYYNWBVKJXBLAS-JLHYYAGUSA-N 330.225 4.956 30 40 EJEB Cc1cc2cc(C#N)c(SCC(=O)c3ccccc3)nc2cc1C 35315959 NCUHARKCBNUXAW-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C#N 225842626 VJEFOMXJLYZMNU-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1cc(C)ccc1C 408912667 QUMDPHOAAHRQEE-BDYZYUDZSA-N 326.421 4.520 30 40 EJEB COc1ccc(/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 409217894 YEZGHYVSJBQXII-XKZIYDEJSA-N 348.402 4.552 30 40 EJEB C=C(C)COc1ccc(-c2oncc2-c2ccccc2OC)c(O)c1 5450817 WAJHCPSNMPXKBK-UHFFFAOYSA-N 337.375 4.678 30 40 EJEB CCOc1cccc(/C=C/C(=O)c2nc3ccccc3s2)c1OC 7335942 XKBDAKOTCSETRY-VAWYXSNFSA-N 339.416 4.600 30 40 EJEB CN(C)c1ccc(/C=N/c2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1 18057290 VRPLRUBUDZKINE-DHNIJCFSSA-N 328.415 4.565 30 40 EJEB CSc1ccccc1C(=O)Nc1ccccc1SCCC#N 95953477 PJRVPYUHNUEBKM-UHFFFAOYSA-N 328.462 4.667 30 40 EJEB CCOc1cc(/C=C2/CSc3ccc(F)cc3C2=O)ccc1OC 96765597 IELWDFFEZBATPM-JYRVWZFOSA-N 344.407 4.605 30 40 EJEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccn3)c2c1 408786222 HHOAHSRDHIYKIF-OEAKJJBVSA-N 327.387 4.989 30 40 EJEB CCN(CC)CC(C)(C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1607775 VRPSWPVOYPUSFV-CSKARUKUSA-N 328.283 4.944 30 40 EJEB COc1ccc(C(=O)/C=C\C(C)=C\C=N\N(C)c2ccccc2)cc1 104194079 HLGJHYSFBLPOSI-GUSYEKSNSA-N 334.419 4.503 30 40 EJEB CCCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 206467003 PGMPPRGUGHGZLP-MNVZFQSXSA-N 340.423 4.840 30 40 EJEB CC(Nc1cc(C(F)(F)F)ccc1F)=C1C(=O)c2ccccc2C1=O 2550013 LVDRMYBJIFUYIL-UHFFFAOYSA-N 349.283 4.610 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@H]2c1ccccc1 4741836 OKTIHISGPSWLGV-FQEVSTJZSA-N 343.430 4.694 30 40 EJEB Cc1ccc(N/N=C/c2cc(Br)ccc2O)cc1Cl 5417630 MCKHMMJQGSBVAH-CAOOACKPSA-N 339.620 4.563 30 40 EJEB COc1ccc(OC)c(S/C=C/C(=O)c2ccc(Cl)cc2)c1 16215589 MTKXHTPDTDZJAY-MDZDMXLPSA-N 334.824 4.846 30 40 EJEB Brc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 31904355 VLZHSOCUZZULMP-SXGWCWSVSA-N 332.226 4.505 30 40 EJEB C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c(O)c(Cl)c1 40068112 XRZBTXMLPZZUGU-UHFFFAOYSA-N 342.247 4.589 30 40 EJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)cc1 100123566 MKPKASXZXPKWDK-OAHLLOKOSA-N 332.403 4.614 30 40 EJEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(C(C)(C)C)cc1 4320955 UDVQBVAEHUFFQB-PYCFMQQDSA-N 339.435 4.608 30 40 EJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc(F)cc1F 5162422 MIKQCWHTHMYGRA-UFFVCSGVSA-N 346.768 4.558 30 40 EJEB C=CCN(C(=O)c1ccc2ccccc2n1)c1nc2ccccc2s1 15639893 QBTYODWXVBXUFP-UHFFFAOYSA-N 345.427 4.677 30 40 EJEB COc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 100349539 IQDUVXVERYBUMG-FYJGNVAPSA-N 349.390 4.762 30 40 EJEB FC(F)(F)CNc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1 103598028 KJAQHYCBVYQPHL-UHFFFAOYSA-N 341.173 4.533 30 40 EJEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC1=[N+]([O-])CCN1 104370700 LYAOJMQMJXWQCP-RBUKOAKNSA-N 338.536 4.747 30 40 EJEB N#Cc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 216793021 RGEDOKVOQBYJIN-UHFFFAOYSA-N 333.572 4.782 30 40 EJEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C#N)c1 225848311 ANDXOTBZNAPGNF-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB Cc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 408758926 UVWGHWYPXFPFQQ-AOIWGVFYSA-N 331.375 4.601 30 40 EJEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 6342299 YDBKXQVXSJDYEP-GQCTYLIASA-N 335.186 4.661 30 40 EJEB N#Cc1ccc(N(Cc2ccccc2C#N)Cc2ccccc2C#N)cc1 72284294 RXXXIBWYXWAPKV-UHFFFAOYSA-N 348.409 4.508 30 40 EJEB N#Cc1c(NC(=O)CCc2ccc3ccccc3c2)sc2c1CCC2 84605855 UAYQZYAYSLQOHH-UHFFFAOYSA-N 346.455 4.833 30 40 EJEB C=CCOc1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 225452375 KUXZVYJYHQOWBP-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225758994 CWHJNWXOGYZVLV-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB Cc1ccc(NC(=O)CCCC(=O)[C@@H](C#N)c2ccccc2C)cc1C 6491592 HXCRZHJLLYYKGT-FQEVSTJZSA-N 348.446 4.597 30 40 EJEB C/C(CCc1oc2ccc([N+](=O)[O-])cc2c1-c1ccc(C)o1)=N/O 13590352 BBSJIKZVBZUISQ-ZDLGFXPLSA-N 328.324 4.692 30 40 EJEB C=CCc1cc(/C=N/c2ccc(OC)c(Cl)c2)cc(OCC)c1O 59248675 IUKXURABIHOKGS-CIAFOILYSA-N 345.826 4.932 30 40 EJEB C=CCc1cc(C=O)cc(OCC)c1OCc1cccc(Cl)c1 409076230 AAXWJGCKUFYKIL-UHFFFAOYSA-N 330.811 4.859 30 40 EJEB CCSc1nc(-c2cccs2)c(C(=O)C(F)(F)F)cc1C#N 3174866 FQOBHFVWPITDBE-UHFFFAOYSA-N 342.367 4.539 30 40 EJEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 9089987 VACBGWNEWYEGKL-YEJXKQKISA-N 334.419 4.527 30 40 EJEB CCc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 18182566 ZZEMORWHXNLLSR-RGVLZGJSSA-N 339.420 4.720 30 40 EJEB C[C@H](C#N)CN(C)c1nc(C2CC2)nc2scc(-c3ccccc3)c12 58542185 SWVQLBMRGKIGKV-CYBMUJFWSA-N 348.475 4.832 30 40 EJEB C=CCOc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225868311 CXVGDEVFLRWBFX-UHFFFAOYSA-N 342.464 4.600 30 40 EJEB COc1cc(C)c(/C=N\c2ccc(Br)cc2C)cc1OC 408549495 UMOBKAABLNPJAZ-GRSHGNNSSA-N 348.240 4.834 30 40 EJEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3)cc2)cc1 408808699 NAIVVOIJNYYTAD-HAHDFKILSA-N 344.414 4.763 30 40 EJEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(OC)nc2)c1C 408967667 RMGDGQMDBVZJQX-XKZIYDEJSA-N 333.435 4.811 30 40 EJEB COc1ccccc1/C=N/c1ccccc1Sc1c(C)n[nH]c1C 193000 UQCMTALXZZCZFH-UDWIEESQSA-N 337.448 4.937 30 40 EJEB N#CCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2650769 CZTPQGAFWSPAST-UHFFFAOYSA-N 325.437 4.710 30 40 EJEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(F)cc1F)O[C@@H](C)C2 7712644 NKSNLEWKUNRKEY-NTYUQYKDSA-N 344.357 4.583 30 40 EJEB O=C1N/C(=N\c2cccc3ccccc23)S/C1=C\c1cccs1 8436648 CKIJMXLZADYIMD-WJDWOHSUSA-N 336.441 4.793 30 40 EJEB C(=NNc1nc2ccccc2[nH]1)c1ccccc1OCc1ccccc1 12341095 XVYURBUIQDMTTN-UHFFFAOYSA-N 342.402 4.588 30 40 EJEB Oc1ccccc1/C=N/N=c1c2ccccc2sc2ccccc12 16922721 MQSAACDQNNFEQD-FYJGNVAPSA-N 330.412 4.695 30 40 EJEB COc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)ccc1C 22879404 VAUUAKLAQCZELL-UHFFFAOYSA-N 347.439 4.717 30 40 EJEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 72229726 HASWIIULVPSZEA-MTJSOVHGSA-N 338.436 4.746 30 40 EJEB O=C1C(c2ccccc2)=C(Nc2cccc([N+](=O)[O-])c2)c2ccccc21 100682286 XBIBXZGGSXVBQK-UHFFFAOYSA-N 342.354 4.772 30 40 EJEB C(=N/n1cnnc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 3255079 MBPNNSNUETVZKE-BUVRLJJBSA-N 339.402 4.630 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OC 5051078 MPRVROLHOXRSGL-UHFFFAOYSA-N 336.218 4.626 30 40 EJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc2ccccc12 5201241 DFNZKCFAIJQBDP-QGOAFFKASA-N 330.412 4.731 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 8084470 JGMLNMLCVHQGQD-DEDYPNTBSA-N 342.236 4.774 30 40 EJEB CCOc1ccc(N/C(=N/C#N)SCc2ccc(C)cc2)cc1 13564338 JMKJUKGDKOFOMH-UHFFFAOYSA-N 325.437 4.576 30 40 EJEB CCCCCCCCCCCCNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102205703 AUOUVIGDPICYMP-OKYOBFRVSA-N 349.515 4.546 30 40 EJEB CCCCCCCCCC[C@@H]1C(=O)N(c2nc(C)cc(C)n2)N=C1C 105330147 COAVQEFBLHOZMS-SFHVURJKSA-N 344.503 4.963 30 40 EJEB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756051 NFQIDELJQHWOQR-UHFFFAOYSA-N 348.446 4.798 30 40 EJEB Oc1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccccn2)s1 221678 NVJTYBBUJDGOGQ-ZVBGSRNCSA-N 349.337 4.680 30 40 EJEB N#Cc1cccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c1C#N 482206 GLLFEAPFZDFJFF-UHFFFAOYSA-N 348.365 4.832 30 40 EJEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(F)(F)F)c2C#N)C1 2749088 HSNQGAACGGYDRH-VIFPVBQESA-N 344.402 4.662 30 40 EJEB N#Cc1ccccc1COC(=O)Cc1coc2ccc3ccccc3c12 5229684 OLKHRVNNZMESCD-UHFFFAOYSA-N 341.366 4.744 30 40 EJEB C[C@@H](CN(C)C)C(/C=C/c1ccc(F)cc1)=N\Nc1ccccc1 5765431 GRWKFHIELHESTI-PRFSAPCLSA-N 325.431 4.505 30 40 EJEB COc1ccc(C/C(C)=N/N=C(/S)Nc2c(C)cccc2C)cc1 8687619 NSINCHFAESMSSV-RCCKNPSSSA-N 341.480 4.628 30 40 EJEB COc1cc(C2SCCS2)ccc1OCc1ccc(C#N)cc1 5475161 DRKAOIFTVWBVTK-UHFFFAOYSA-N 343.473 4.624 30 40 EJEB N#Cc1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 5781965 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Cc1ccccc1[C@H]1C2=C(CCCC2=O)N=C2C1=C(O)c1ccccc12 103865197 OBUZWNWRVVFPIW-IBGZPJMESA-N 341.410 4.871 30 40 EJEB CC1(C)C(C(=O)/C=C2/Nc3ccccc3C2(C)C)=Nc2ccccc21 104248036 ULHFMCPEWCMZKH-CPNJWEJPSA-N 330.431 4.907 30 40 EJEB CCC(=O)O[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]2(C)C1 253502434 SEFNHDCTTLMQJR-LFPDIOOPSA-N 342.479 4.616 30 40 EJEB C[C@H](C=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 255004291 XVPJEGGIGJLDQK-RQEUSYDHSA-N 328.496 4.970 30 40 EJEB C=CCn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 409104628 GDMUBUWRYADPGE-UNOMPAQXSA-N 332.428 4.913 30 40 EJEB Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)c(C)c1 61806 RVKMKDSFVJPHOE-UFWORHAWSA-N 332.787 4.938 30 40 EJEB Cc1ccc(-n2c(SCC#N)nnc2-c2ccc(Cl)cc2)cc1 2646711 CSFAHZYAENVVAW-UHFFFAOYSA-N 340.839 4.512 30 40 EJEB COc1cccc(/C(C)=N/NC(=S)Nc2ccc(C(C)C)cc2)c1 4871758 MEDKUWZAYUGJBK-KGENOOAVSA-N 341.480 4.529 30 40 EJEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCC)cc1 6962348 HMALFKDMZAKWCX-XDHOZWIPSA-N 348.240 4.997 30 40 EJEB C=CCNc1nnc(S[C@H](C)c2nc3ccccc3s2)s1 8131575 DUPJRVDPLUDSBI-SECBINFHSA-N 334.495 4.599 30 40 EJEB N#Cc1ccccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811454 YESJREMLBVPETM-YDZHTSKRSA-N 335.794 4.595 30 40 EJEB COc1cc(NCC(C#N)C#N)ccc1/N=N/c1ccc(Cl)cc1 18180957 RHCCMWMRCRPEBD-GHVJWSGMSA-N 339.786 4.839 30 40 EJEB C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC 31155937 AKIRMBMADXTLAC-PWDYIDGUSA-N 348.483 4.749 30 40 EJEB biogenic,in-vitro C[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc(-c2ccccc2)cc1 32806327 IDWXCADGPVADTF-AWEZNQCLSA-N 344.374 4.702 30 40 EJEB CC(C)Cc1nc(SCc2cccc3ccccc23)nc(N)c1C#N 225893613 GUWMJKDBCMQHIT-UHFFFAOYSA-N 348.475 4.574 30 40 EJEB CCOC(=O)c1ccc(N/C=C2\C[C@H](C(C)(C)CC)CCC2=O)cc1 408563955 SSESWQUFMBNXOP-FYPAKXHLSA-N 343.467 4.965 30 40 EJEB O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 408859488 XFVKVHIOVJXSNQ-UNOMPAQXSA-N 325.755 4.790 30 40 EJEB C#CCOc1ccc(CNc2cccc(Cl)c2C)cc1OCC 409111333 IDDAUWLXGGLVOK-UHFFFAOYSA-N 329.827 4.671 30 40 EJEB C=C1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 2049238405 PUCXZBGPUPYKFE-VPQCCYDFSA-N 342.479 4.616 30 40 EJEB CCc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 1093836 HRUDDRKNOIQQNN-UHFFFAOYSA-N 334.806 4.796 30 40 EJEB C/C(=N\Nc1ccc(F)cc1F)c1ccc(Br)cc1 4923609 MEYQRENUIRYRNG-GIJQJNRQSA-N 325.156 4.563 30 40 EJEB CC(C)=NNc1nc2c([C@@H](O)c3ccccc3)cc(Cl)cc2s1 57327702 JSYSJHWZFMHAJN-INIZCTEOSA-N 345.855 4.839 30 40 EJEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1\C[C@@H]3CC[C@]1(C)C3(C)C)CC2=O 100860053 SFECAJQDNFQEIJ-WIDISMAUSA-N 345.483 4.517 30 40 EJEB Cc1ccc(Cl)cc1N/N=C1\C(=O)Nc2ccc(C(C)C)cc21 223730138 QUSBQAMYTLJZRP-UHFFFAOYSA-N 327.815 4.540 30 40 EJEB COc1cccc(/C=N/c2cccc(Br)c2)c1OC(C)C 409011854 OJVIHGXMOANLRQ-YBFXNURJSA-N 348.240 4.996 30 40 EJEB CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)OC3=CC(=O)C(O)=CC3=C[C@@H]12 3874816 LOCMLXSTDCXZFJ-VURPSTOHSA-N 328.452 4.853 30 40 EJEB biogenic C(=N/Nc1nc2ccccc2[nH]1)\c1ccc(OCc2ccccc2)cc1 5531706 KOQHIEPFBPHJGY-HYARGMPZSA-N 342.402 4.588 30 40 EJEB N#Cc1ccc(CSc2nnc(Nc3ccccc3F)s2)cc1 10077405 XGGBGSPLMPQBDM-UHFFFAOYSA-N 342.424 4.585 30 40 EJEB CCCCCN1C(=O)/C(=N\Nc2ccc(Cl)cc2)c2ccccc21 46084990 XCFJQHNOLYZPND-PYCFMQQDSA-N 341.842 4.693 30 40 EJEB N#Cc1ccc(F)c(CN2CCC[C@@H]2c2nc3ccccc3s2)c1 57661261 MVALXMGLPUEYIU-QGZVFWFLSA-N 337.423 4.644 30 40 EJEB Fc1cc(F)c(F)c(Sc2c(F)c(F)cc(F)c2F)c1F 103623570 GTUBTAOGKIAJHC-UHFFFAOYSA-N 330.199 4.951 30 40 EJEB Cc1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1Cl 409246477 BUQBUNZWCOUBAM-CIAFOILYSA-N 338.794 4.888 30 40 EJEB CC[C@H]([C@H](C)c1ccc(OC)cc1)[C@H](C=O)c1ccc(OC)cc1 888086478 UWBBNODFLSXEEO-IPHXSNPTSA-N 326.436 4.816 30 40 EJEB CCOC(=O)c1ccc(/N=C/c2c(OC)ccc3ccccc23)cc1 65663 NOYSMQNWLKHQJU-HYARGMPZSA-N 333.387 4.776 30 40 EJEB Cn1c(=S)n(/N=C/c2ccc(-c3ccccc3)o2)c2ccccc21 529814 FRILLSYCARACBG-DEDYPNTBSA-N 333.416 4.851 30 40 EJEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1 4132703 KTLYJSQRMGFCJU-DJKKODMXSA-N 348.786 4.708 30 40 EJEB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cccc(C#N)c1 24458157 ARSFKQASQUWQSJ-LLVKDONJSA-N 333.218 4.698 30 40 EJEB CCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 98022967 OTWJUBWJJSHWDE-UHFFFAOYSA-N 335.488 4.677 30 40 EJEB Cc1ccc(CSc2nc(N)c(C#N)c(C3CCCCC3)n2)cc1 223663033 IWWYIWKTWBZXRV-UHFFFAOYSA-N 338.480 4.579 30 40 EJEB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225843842 NRXRLFUCOJXXJH-FOIQADDNSA-N 346.471 4.659 30 40 EJEB Cc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)n1C1CCCCC1 408741910 SKFFAGZHZYRANE-CIAFOILYSA-N 340.423 4.765 30 40 EJEB CCOc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1O 4921871 FGJKCFFDLFDPPZ-XQNSMLJCSA-N 346.430 4.832 30 40 EJEB Cc1ccc(CO/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 5752697 FMWJDSOLMIYJPH-CIAFOILYSA-N 339.826 4.693 30 40 EJEB CC(C)N(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)C(C)C 1819002 CBBXFECWNXGNKW-JOCHJYFZSA-N 327.512 4.577 30 40 EJEB C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3ccc(C)cc3)cc21 4424901 YROJEILTQXPSGI-UHFFFAOYSA-N 349.430 4.993 30 40 EJEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C)C#N)n2)o1 72640583 IBTCHDYLRGCXQY-SECBINFHSA-N 337.326 4.545 30 40 EJEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(N(C)C)cc1 106670780 BIXGJGBUKGWLTB-HMAPJEAMSA-N 325.431 4.551 30 40 EJEB COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cn1 223570592 OUEIKIPMKXKOKB-QZDMBBGESA-N 337.467 4.871 30 40 EJEB Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)c1 225854473 AKHKZWAXFBDBQA-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB Cc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)c1 567701 RONPEOZACYFXNO-UHFFFAOYSA-N 333.416 4.551 30 40 EJEB C/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1sc(C)nc1C 1406813 CMEXNOSDRYFUHC-QGMBQPNBSA-N 343.235 4.648 30 40 EJEB C=CCOc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 8904941 FCDSWKQXMLMJFW-UHFFFAOYSA-N 339.435 4.701 30 40 EJEB CCCCCCCCCCCC[N+](C)(C)Cc1cc(=O)c(O)co1 104154956 UNNWLCJSWVQXTA-UHFFFAOYSA-O 338.512 4.843 30 40 EJEB C=CCc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1OC 222780557 QOKCJWDNFADXQF-UHFFFAOYSA-N 331.415 4.507 30 40 EJEB C=CCc1cc(C(=O)NCc2cccc3ccccc23)ccc1OC 222857624 FVWBCTCRFZBHSF-UHFFFAOYSA-N 331.415 4.507 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 408677186 AVZIJVXMSHMQMO-SFHVURJKSA-N 345.826 4.701 30 40 EJEB CCc1cccc(CC)c1NC1=C(Cl)C(=O)c2ccccc2C1=O 1613765 IPPAFNDMZNMPHZ-UHFFFAOYSA-N 339.822 4.753 30 40 EJEB O=C(C[n+]1ccccc1)c1ccc2ccc3ccc(Cl)cc3c2c1 1673179 VGCUQSYBEFUIRT-UHFFFAOYSA-N 332.810 4.817 30 40 EJEB CC1CCC2(CC1)[C@@H](C(=O)C13CC4CC(CC(C4)C1)C3)C2(C#N)C#N 6395756 AQDMAHBQTDZTDP-XKXGGZGMSA-N 336.479 4.632 30 40 EJEB O=C(/C(=N/N=C/c1c(F)cccc1F)c1ccccc1)c1ccccc1 12623223 HHDXTHIYYFHDJK-JYPYDPOKSA-N 348.352 4.671 30 40 EJEB N#CCSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 22222625 BSBIYCBHAKKROF-UHFFFAOYSA-N 325.824 4.808 30 40 EJEB Cc1cc(/N=C/c2ccc(N3CCCC3)o2)ccc1Br 59138151 ZAFDSARULZVHAA-WOJGMQOQSA-N 333.229 4.701 30 40 EJEB Fc1c(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 68576425 BSSLTVJMUSSXTH-UHFFFAOYSA-N 348.139 4.668 30 40 EJEB in-vitro Cc1cc(N/N=C/c2ccccc2Br)nc2ccccc12 5394275 IUCDOPHSJXCCHP-YBFXNURJSA-N 340.224 4.752 30 40 EJEB N#Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 6889694 UTVUXUYUFYNEGG-UHFFFAOYSA-N 340.426 4.510 30 40 EJEB COc1ccccc1CN/N=C/c1c(C)n(C(C)C)c2ccccc12 20763604 PNHRQCJQCDKSTQ-OEAKJJBVSA-N 335.451 4.663 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 44842341 ZPQYGZXELRFCMU-FQEVSTJZSA-N 339.435 4.664 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N/c1cc(Cl)ccc1C 409069126 WIJVBGCGCNKHTH-FYJGNVAPSA-N 328.843 4.544 30 40 EJEB CCCCCCCCC[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 3115087 CXNATEZOVVRARQ-MOPGFXCFSA-N 342.483 4.949 30 40 EJEB biogenic Cc1ccc(-n2c(SCCCC#N)nnc2-c2ccccc2)cc1C 3302729 HGACNIKIMGUBEO-UHFFFAOYSA-N 348.475 4.947 30 40 EJEB O=C(O)c1cc(N/N=C/c2ccc(C(F)(F)F)cc2)ccc1Cl 4925281 WTLPNFNSXZDWPT-DNTJNYDQSA-N 342.704 4.503 30 40 EJEB COc1cc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC 6257000 GGQFXEKKSKILPX-DHZHZOJOSA-N 340.419 4.732 30 40 EJEB CCCOc1ccc(Br)cc1/C=N/c1ccc(OC)cc1 6941604 MFGMRWSAMGBGLR-XDHOZWIPSA-N 348.240 4.997 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC 7714223 YCAMVLWNEISMGQ-IZZDOVSWSA-N 340.419 4.732 30 40 EJEB FC(F)(F)c1ccccc1/C=N/Nc1ncc(Cl)cc1Cl 20835792 WWQJIRMMUPEBHV-CGOBSMCZSA-N 334.128 4.853 30 40 EJEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccc(C(C)C)cc2)c1 51318549 AYVMMGKVZIKOSR-VAWYXSNFSA-N 325.408 4.636 30 40 EJEB O=C(/C=C/c1csc2ccccc12)c1cccc(N2CCOC2=O)c1 63556729 VUPSYGINBBQJHX-CMDGGOBGSA-N 349.411 4.754 30 40 EJEB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 78754383 WEJIWRKQDOOCKC-CQSZACIVSA-N 339.464 4.504 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](C)CCc2ccccc2)c1 225515775 ZMSNUENCMIEGOD-MRXNPFEDSA-N 340.492 4.559 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2C#N)C1 136990 PPRIFMRXDQBHEM-LLVKDONJSA-N 336.416 4.743 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccccc3)nc3ccccn23)c1 503511 PUSKVIYLVURLMK-KGENOOAVSA-N 342.358 4.660 30 40 EJEB Cc1ccc(C(=O)OC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 3092162 TWLLIUNOQPRIFZ-UHFFFAOYSA-N 340.378 4.917 30 40 EJEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/c1cccc(C#N)c1 3233528 SERUBGWRMXQLMJ-SSDVNMTOSA-N 338.773 4.596 30 40 EJEB N#C/C(=N/Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 4292777 MJEURDDFVXDTCA-JCMHNJIXSA-N 338.823 4.803 30 40 EJEB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(OCC#N)cc2)cc1 12850695 NOCPXTKSRNVBLK-AWNIVKPZSA-N 334.419 4.538 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709406 PTIWANMZXXPCRN-MRXNPFEDSA-N 347.414 4.811 30 40 EJEB COc1ccc([C@@H]2CCCCCN2Cc2cc(C#N)ccc2F)cc1 22516427 OYOPOQUEHCSFQU-NRFANRHFSA-N 338.426 4.823 30 40 EJEB O=C(/C=C\[n+]1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1 33374001 DXTYKWOOSZTJDD-OWBHPGMISA-N 334.826 4.572 30 40 EJEB CSC(=N/c1ccccc1)/N=C(/SCc1ccccc1)N(C)C 102845769 ZSMIAGRBYIUYAJ-XPWSMXQVSA-N 343.521 4.888 30 40 EJEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)c1 225885353 DMXHGYWMEXDBNK-UHFFFAOYSA-N 335.382 4.539 30 40 EJEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1Cc1ccccc1 408597448 ZYEFVWCYHHCVOY-ZVHZXABRSA-N 343.430 4.576 30 40 EJEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(F)cc1 2437778 XLGQRKHUDZAQBB-UHFFFAOYSA-N 343.402 4.702 30 40 EJEB N#C[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@@H]21 5694067 LRFWRFJDCUXCJN-CTNGQTDRSA-N 345.471 4.673 30 40 EJEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)cc1 6210407 CLYAEJKFVURYIT-LPYMAVHISA-N 343.434 4.725 30 40 EJEB C=CCn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 8811546 SEYOMEIUBLNVID-OEAKJJBVSA-N 337.854 4.913 30 40 EJEB Fc1ccc(/C=N/c2c(-c3ccc(F)cc3)nc3n2CCS3)cc1 13113907 HBTWSYXMVAJGBH-SRZZPIQSSA-N 341.386 4.685 30 40 EJEB Cn1c(C/C(=N/Nc2ccccc2)c2ccccc2)nc2ccccc21 35105488 XLQQNIYZDUZINC-QQTULTPQSA-N 340.430 4.632 30 40 EJEB CCCOc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 59444479 JBZGYNBWDURIHS-PKNBQFBNSA-N 340.419 4.779 30 40 EJEB Cc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 408737960 GMMWKNVGSHZTRB-SXGWCWSVSA-N 342.851 4.848 30 40 EJEB Oc1ccc(Cl)cc1/C=N\c1ccc(F)cc1Br 145507 LUSUJIHFPCUPLW-IDUWFGFVSA-N 328.568 4.698 30 40 EJEB CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1-c1ccccc1 3104585 VTKBDLHBAOQTAO-UHFFFAOYSA-N 344.370 4.589 30 40 EJEB N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 14855774 HXTMUXPUZGDDIW-GOSISDBHSA-N 344.380 5.000 30 40 EJEB Cc1ccc(C(=O)/N=C2\C(Cl)=C(Cl)C(=O)c3ccccc32)cc1 16779876 MVQDKNKQCUUVOI-PGMHBOJBSA-N 344.197 4.510 30 40 EJEB CC1=NOC(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 408946134 YCJVPSADIMCSAN-CPNJWEJPSA-N 343.382 4.735 30 40 EJEB N#Cc1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 409155659 MDSGISWVSJNOGZ-UFFVCSGVSA-N 332.375 4.851 30 40 EJEB N#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N 509735 BLJNBHJAIHCKEO-UHFFFAOYSA-N 332.366 4.707 30 40 EJEB O=C(O/N=C1\CCCc2ccccc21)c1cccc(C(F)(F)F)c1 1396234 LMTIPXUTFBQQPU-CJLVFECKSA-N 333.309 4.603 30 40 EJEB CC(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 5453728 MKCBANYWVZNAIA-UHFFFAOYSA-N 332.451 4.696 30 40 EJEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N 225846630 MYKVSMXDXPFLMV-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCC 409112520 GQDMVQNOCMVRDN-UHFFFAOYSA-N 341.451 4.833 30 40 EJEB C#CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br 8084608 NRPLCCSKISITLF-DEDYPNTBSA-N 342.236 4.774 30 40 EJEB CCCOC/C(=N/c1ccc(Cl)cc1C(F)(F)F)n1ccnc1 13827900 HSMVPDGQOIQYSR-STZFKDTASA-N 345.752 4.560 30 40 EJEB in-vitro N#Cc1c(-c2ccccc2)noc1/C=C/Nc1cc(Cl)ccc1O 100324626 LGCWPNIHJFUSAB-CMDGGOBGSA-N 337.766 4.655 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366445 XZNGOEFIQGQWSR-ZINWEMMASA-N 326.480 4.890 30 40 EJEB CCN1c2ccc(/C=N\c3ccc(OC)nc3)cc2[C@@H](C)CC1(C)C 223535277 XCONEAGXVAWXDN-PXNCGERRSA-N 337.467 4.953 30 40 EJEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccccc3)c3ccccc32)o1 408544913 WADDDKLXIHIREP-WSDLNYQXSA-N 344.370 4.731 30 40 EJEB C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 408851594 LNRREZRDBPOOHE-DWOMLUCJSA-N 338.190 4.596 30 40 EJEB COc1ccc(/C=C(\C)C(=O)c2cc(C)nc3ccccc23)cc1O 1772820545 CZORMYBDJDSAFW-JLHYYAGUSA-N 333.387 4.544 30 40 EJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)c(Cl)c1 4401846 YJGAKMVPGZYYBN-YBFXNURJSA-N 341.754 4.954 30 40 EJEB Cc1ccc(NN=C2CCN(Cc3ccccc3)CC2)cc1Cl 4934155 VVTTYMVUUATUKG-UHFFFAOYSA-N 327.859 4.712 30 40 EJEB C=CCn1c(NCc2cccc(Br)c2)nc2ccccc21 9356293 LIDYHKBHEUOLIU-UHFFFAOYSA-N 342.240 4.597 30 40 EJEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(F)c(F)c1)O[C@H](C)C2 15349058 FTJFXCOINJDTEE-HOSRBBHYSA-N 344.357 4.583 30 40 EJEB CC1=C(C/C=C(\C)[C@H](O)C#C[C@@]2(C)C=COCCO2)C(C)(C)CCC1 95611844 VPXQWWCWFOYTAT-YSHYRRJGSA-N 344.495 4.533 30 40 EJEB C=CCOc1ccc(NC(=O)CCc2cccc3ccccc23)cc1 222668954 UMIRUKIKVFGSJB-UHFFFAOYSA-N 331.415 4.976 30 40 EJEB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225842667 GVGXUALOEQRMRV-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB CC1=C/C(=N\OC(=O)c2ccccc2Br)CC(C)(C)C1 4567314 DKDNJLJBXFPMLI-LDADJPATSA-N 336.229 4.728 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1 8498754 UOWKRVOKVNDALQ-SFHVURJKSA-N 345.826 4.701 30 40 EJEB N#Cc1oc2ccccc2c1NC(=O)CSc1ccc2c(c1)CCC2 10213132 CHXHSFOZGRJGHT-UHFFFAOYSA-N 348.427 4.524 30 40 EJEB c1ccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 13479282 GPJXKSUKJQPNSS-QQTULTPQSA-N 326.403 4.622 30 40 EJEB COc1ccc(/C(C)=N/Nc2nncc3ccccc23)c2ccccc12 23088754 AAALCLMTLLSYCD-OEAKJJBVSA-N 342.402 4.628 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C\O 118935192 FVRSZRQIIWPOJR-VEYABHFTSA-N 344.495 4.567 30 40 EJEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1F 408912454 GKRDNIXYBJWJIW-WSDLNYQXSA-N 336.366 4.682 30 40 EJEB CCOc1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21 1710126 AYUPSBQGSWMVGM-HZHRSRAPSA-N 326.399 4.937 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/Nc2nc3ccccc3c3ccccc23)c1 4817134 AQVCGCQDPOMQBN-FYJGNVAPSA-N 342.358 4.742 30 40 EJEB Cc1ccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1 32675062 KLCGBPZSINYUFC-HNNXBMFYSA-N 333.391 4.607 30 40 EJEB Clc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 33384122 WICKRUDMALOVRW-NKVSQWTQSA-N 342.855 4.670 30 40 EJEB C#CC[C@@H](CC)NC(=O)Nc1cc(C)ccc1SCC(F)(F)F 95962288 AKMLHOQDIYGJAN-GFCCVEGCSA-N 344.402 4.573 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1 216260740 CPEANEVIBWLBQB-IBGZPJMESA-N 339.435 4.664 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1 225708007 LINVQWPQFLJOBT-INIZCTEOSA-N 340.492 4.916 30 40 EJEB CSc1sc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)c1C#N 125061 PDGBICZPQGIXQC-UHFFFAOYSA-N 343.351 4.726 30 40 EJEB Oc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 3045115 VKIZRUSVHKIKLR-HYARGMPZSA-N 341.370 4.860 30 40 EJEB CCc1cccc2c(C#N)cn(CCCOc3ccccc3OC)c12 6945266 QUNDTDDBZXFUHT-UHFFFAOYSA-N 334.419 4.553 30 40 EJEB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3C#N)[nH]2)cc1 9199374 PDCAPONFTAMIOB-UHFFFAOYSA-N 348.475 4.933 30 40 EJEB CC(C)c1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 16134053 CEOGKFMRGLBESU-UHFFFAOYSA-N 343.224 4.645 30 40 EJEB N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccncc2)nc1N 20328265 IZOCYUVFHVEJOK-UHFFFAOYSA-N 341.201 4.571 30 40 EJEB CCCCCCCCCCCC(=O)O[C@H](C)C(=O)NCCCC 100302540 ISFZOGMBOFWRMU-QGZVFWFLSA-N 327.509 4.755 30 40 EJEB CCCCCS(=O)(=O)[C@@H]1CCCCCCCCCC/C1=N/O 101511652 SXFRUCNJSPEDNX-FXBHHXAOSA-N 331.522 4.705 30 40 EJEB Cc1cc2nc(SCC#N)n(Cc3ccccc3Cl)c2cc1C 107964467 NQSZJDLRUGFZNS-UHFFFAOYSA-N 341.867 4.971 30 40 EJEB CC(C)(C)c1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 137649473 KDIFYRSKUIJKPO-VBHXFKECSA-N 342.489 4.858 30 40 EJEB O=[N+]([O-])c1cccnc1N/N=C/c1c2ccccc2cc2ccccc12 409083492 AZMWDUAYLAFKBT-LPYMAVHISA-N 342.358 4.742 30 40 EJEB CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1C#N 609149950 ZQRGGOKPAFQVKX-OXQOHEQNSA-N 340.854 4.816 30 40 EJEB CC1(C)CC(=O)C2=C(SC3=C(C2)C(=O)CC(C)(C)S3)S1 1591588 DXPDNDUXFMOUJM-UHFFFAOYSA-N 326.508 4.516 30 40 EJEB CC(C)n1ncc2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 9051248 BHECBULUERGKLT-GOSISDBHSA-N 335.451 4.665 30 40 EJEB CN(C)CC/C(=N/Nc1c(Cl)cccc1Cl)c1ccccc1 16953418 OMZOAFBKUNFOMF-SILNSSARSA-N 336.266 4.761 30 40 EJEB CCCCCCCCCCCCCCCC(=O)NC[C@@H](CO)OC 77300614 BYJBRCRLFRIREO-IBGZPJMESA-N 343.552 4.591 30 40 EJEB in-vitro CCCCCCCCCCCCCSCC(=O)N1CCOCC1 103600065 MAKOZDWQQOFNDA-UHFFFAOYSA-N 343.577 4.889 30 40 EJEB C#Cc1ccc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)cc1 1137096003 VXTYMWKKWZZBQM-UHFFFAOYSA-N 329.443 4.527 30 40 EJEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 226898 ZSGNJALRFCXPIS-JXMROGBWSA-N 342.851 4.804 30 40 EJEB C=CC/N=C(\NCC=C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3145407 GMMFMJSDLWKAKW-UHFFFAOYSA-N 328.500 4.695 30 40 EJEB biogenic CCNc1ccccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1=O 4667378 QTCCEIVAUMVWGR-CSKARUKUSA-N 348.229 4.682 30 40 EJEB Clc1ccc(N/N=C/c2c3ccccc3cc3ccccc23)nn1 5417419 DRDCTZVNASHLAR-CIAFOILYSA-N 332.794 4.882 30 40 EJEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1/C[C@H]3CC[C@]1(C)C3(C)C)CC2=O 36293006 SFECAJQDNFQEIJ-QDVWRANASA-N 345.483 4.517 30 40 EJEB N#Cc1ccnc(SCc2cc(=O)oc3ccc4ccccc4c23)c1 71918266 KCSUMVBEIMIXPF-UHFFFAOYSA-N 344.395 4.505 30 40 EJEB COc1ccc(-c2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 4158516 JLXSUJMJOVFKHC-PKNBQFBNSA-N 349.342 4.760 30 40 EJEB Cc1ccc(C)c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 6949144 PURFOTQPCMMPGP-UHFFFAOYSA-N 330.840 4.559 30 40 EJEB N#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2ccncc2)nc1N 20291432 PYNIFUAKEWSAEP-UHFFFAOYSA-N 341.201 4.571 30 40 EJEB O=C(/C=C/Nc1cc(F)ccc1F)c1ccc(Br)cc1 44843460 ZLJWYTPMBUUDKE-BQYQJAHWSA-N 338.151 4.536 30 40 EJEB CCCCCCCC(=O)Nc1ccc(I)cc1 100168444 OKUMMJUXJSJMCX-UHFFFAOYSA-N 345.224 4.590 30 40 EJEB N#Cc1c(NC(=O)CCc2ccccc2)sc2c1CCCCCC2 226409 QOLGQENCBUTYGJ-UHFFFAOYSA-N 338.476 4.850 30 40 EJEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223231023 BCLQXZIAQPZXTR-HNNXBMFYSA-N 337.488 4.944 30 40 EJEB Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 225879506 XDNVWCCDCWRHNV-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB Ic1ccc(/N=C/c2c[nH]c3ccccc23)cc1 65287 KDATULRYCDWTON-RQZCQDPDSA-N 346.171 4.523 30 40 EJEB CCCCCCCSc1cc(OC)c(CCN(C)C)cc1OC 2049879 UUPAPYGETUCQQY-UHFFFAOYSA-N 339.545 4.870 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 3844000 XLZOWNDECGUSCQ-HPPKPSBPSA-N 330.512 4.617 30 40 EJEB N#Cc1ccccc1CCC(=O)Nc1ccccc1Cc1ccccc1 12927289 CEITWWWWWKIQMF-UHFFFAOYSA-N 340.426 4.720 30 40 EJEB Cc1ccc(OCc2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1 32675061 KLCGBPZSINYUFC-OAHLLOKOSA-N 333.391 4.607 30 40 EJEB C[C@@H]1CCC/C(=C/Nc2ccc(Br)c(Cl)c2)C1=O 409181734 FKDBAIYFVGFAQG-URLRMUCDSA-N 328.637 4.787 30 40 EJEB CCc1ccc(C(=O)/C=C/O/C=C/C(=O)c2ccc(CC)cc2)cc1 2557636 JLOLTIILBGWVSM-WXUKJITCSA-N 334.415 4.921 30 40 EJEB C/C(CCC1CCCCC1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17161781 GIAGVLFHPOXNQL-ATVHPVEESA-N 334.376 4.651 30 40 EJEB O=C(/C=C/c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 59522889 APTRJYQWCOXFRN-JLHYYAGUSA-N 333.412 4.897 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1OCC 409114741 IZNYHJMLMLKYQD-UHFFFAOYSA-N 329.827 4.671 30 40 EJEB CCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccccc1 2051771 CGWRQKKCAXAJMV-KNTRCKAVSA-N 349.430 4.990 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 3193937 WXZMLOAYRLQEQL-UHFFFAOYSA-N 345.383 4.680 30 40 EJEB Oc1c(Br)cc2ccccc2c1/C=N/Nc1ccccc1 6927523 XYOIYJNHYCHKRE-YBFXNURJSA-N 341.208 4.754 30 40 EJEB CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 19820719 QMELIVFMHQODNJ-UHFFFAOYSA-N 332.432 4.789 30 40 EJEB CCCCCCCCCCc1c(C)[nH]n(-c2nc(C)cc(C)n2)c1=O 97941872 RGBJINJGKJKLNA-UHFFFAOYSA-N 344.503 4.564 30 40 EJEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccc(Cl)cc1Cl)C[C@]32C 245241430 DLKZOUFFUFJOFP-QXNHNSEWSA-N 349.261 4.538 30 40 EJEB Fc1cc(/C=N\c2ccc3ccccc3c2)ccc1N1CCOCC1 409139620 BMUSFGUELLZTRU-HAHDFKILSA-N 334.394 4.566 30 40 EJEB O=C(O)c1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 409209166 HKQGTZLUKOBNAB-HYARGMPZSA-N 331.371 4.714 30 40 EJEB COc1ccc(N/C(=N/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 5586462 DIUJZGDRVNAYGR-UHFFFAOYSA-N 347.374 4.794 30 40 EJEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OC(C)C 10119080 RFNPCDBBKRAVMT-LPYMAVHISA-N 346.858 4.650 30 40 EJEB C=CCn1c(=S)[nH]c2sc(C)c(-c3ccc(Cl)cc3)c2c1=O 3267331 ITMSOCINMVVZHB-UHFFFAOYSA-N 348.880 4.935 30 40 EJEB Brc1ccc(-n2cccc2/C=N/Cc2ccccc2)cc1 59249240 VDVLDIIGKYLOIZ-XSFVSMFZSA-N 339.236 4.859 30 40 EJEB O=C(/C=C/c1c[nH]c2ccccc12)c1cccc(Br)c1 83201740 KJPDYZANLMSJCT-CMDGGOBGSA-N 326.193 4.827 30 40 EJEB C=CCc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC 408705688 LKMVJZQZLRPADP-UHFFFAOYSA-N 336.218 4.983 30 40 EJEB Cn1cccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409093541 AOKLTZJTPLBLBX-CPNJWEJPSA-N 337.404 4.835 30 40 EJEB Cc1sc2ncnc(N/N=C/c3cccc4ccccc34)c2c1C 4680623 VYWYSUXDKGYOCW-LSHDLFTRSA-N 332.432 4.907 30 40 EJEB CC(C)C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1 225492872 KGZHEDCVKBJVDT-IBGZPJMESA-N 337.492 4.826 30 40 EJEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1cccc([N+](=O)[O-])c1 408782189 IMECSOOPDBETNE-MOSHPQCFSA-N 325.412 4.754 30 40 EJEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(F)cc1F 409241457 NLDLZLAUQFSPOI-LPYMAVHISA-N 330.378 4.714 30 40 EJEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccccc1 62021 INMCEGMJQZRWCD-UHFFFAOYSA-N 330.412 4.595 30 40 EJEB C=C(C)CSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5246011 XENMTPMZVSWGQM-UHFFFAOYSA-N 340.492 4.972 30 40 EJEB CN(CCC#N)c1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 12249765 RBMWRRRBTPKUCE-VQHVLOKHSA-N 330.840 4.647 30 40 EJEB CC(C)c1ccc([C@H](C)NC(=O)c2ccccc2SCC#N)cc1 23057323 XAZQOLQYVLZOOI-HNNXBMFYSA-N 338.476 4.917 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\N=c1\[nH]c(-c3ccccc3)cs1)C2 100045206 LPZRONVVQPPYEV-HUVFOBPYSA-N 325.481 4.846 30 40 EJEB N#Cc1ccc(/C=N\CCCCCC/N=C/c2ccc(C#N)cc2)cc1 104063717 WPRSOPAWUGQYPC-WTHRLWDASA-N 342.446 4.528 30 40 EJEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 216807815 HZNDMXGSBRGRBT-UHFFFAOYSA-N 337.202 4.915 30 40 EJEB C=CCc1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1OC 223441154 NBPYCXUBPPFXOZ-QGZVFWFLSA-N 337.463 4.840 30 40 EJEB FC(F)(F)c1ccc(N/N=C\c2ccc(N3CCCC3)cc2)cc1 408936868 QBKZWRUIQRJJEW-XKZIYDEJSA-N 333.357 4.752 30 40 EJEB C=CCOc1ccc(CNCc2ccc(C)cc2)cc1Br 6600515 DRLWVTUWFKDGAD-UHFFFAOYSA-N 346.268 4.612 30 40 EJEB O=CN(/C=C1/Sc2ccccc2C1=O)c1cccc2ccccc12 100439066 OHHJXQVUYXPASK-XDHOZWIPSA-N 331.396 4.633 30 40 EJEB N#Cc1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCC2 101503015 ZLCCXOOZFJEICE-GXHLCREISA-N 337.231 4.871 30 40 EJEB Cc1ccc(Cl)cc1/N=C/c1cccn1-c1cccc(C(=O)O)c1 409088426 LTPDTFUAVUCYKP-CIAFOILYSA-N 338.794 4.888 30 40 EJEB Cc1cccc(O)c1/N=C/c1cc(Br)cc(Cl)c1O 61815 XJWAFJUWTDDRAD-REZTVBANSA-N 340.604 4.573 30 40 EJEB O=C(/C=C/Oc1ccc(Cl)cc1)c1ccc(Br)cc1 68451 TXNFJKNFDYOSAE-MDZDMXLPSA-N 337.600 4.878 30 40 EJEB CC(=O)N(/C=C/C=C/C=C1\Sc2ccccc2C1=O)c1ccccc1 4119606 XNTRBVIDEXYJQL-UPBRMONOSA-N 347.439 4.982 30 40 EJEB CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1 4774751 QEORVDCGZONWCJ-QURGRASLSA-N 348.366 4.622 30 40 EJEB N#Cc1cc(SCc2ccccc2)c(N2CCCCC2)cc1C#N 7380195 LDCKDRXDJWZCPX-UHFFFAOYSA-N 333.460 4.713 30 40 EJEB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C#N)c1 7688100 FHACHLQUDYXDPX-UHFFFAOYSA-N 348.324 4.618 30 40 EJEB O=C(/C=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 32100119 OZULXUNBLDWQOV-BQYQJAHWSA-N 337.162 4.710 30 40 EJEB CC1=C(/C=C/[C@@](C)(O)CC#C[C@@]2(C)C=COCCO2)C(C)(C)CCC1 95611849 FOOIMBDCRKVYBU-FUURPURISA-N 344.495 4.533 30 40 EJEB CC(C)COc1ccccc1/C=N/Nc1nc2ccccc2s1 408599947 PJIKAVGFFBQZRK-YBFXNURJSA-N 325.437 4.777 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OCC 409121197 WZTKADICTGHTOQ-UHFFFAOYSA-N 343.854 4.925 30 40 EJEB Cc1occc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2741711 MXXCIKAZOCMTLV-LBPRGKRZSA-N 342.464 4.925 30 40 EJEB C(=N/Nc1ccccc1)\c1ccc(N2CCC(c3ccccc3)=N2)cc1 6566104 FIAYCSVNVQWWRY-HAVVHWLPSA-N 340.430 4.747 30 40 EJEB COc1ccc(/N=C2/c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 16101903 POYVRXKSUUEESG-ZQKSFYQXSA-N 327.383 4.796 30 40 EJEB Cc1nc(SC/C(O)=N/[C@](C)(C#N)C(C)C)n(C2CCCC2)c1C 23071545 SEBUKRMOSOQPRP-GOSISDBHSA-N 348.516 4.602 30 40 EJEB CCC(=O)O[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)C1 245238516 SEFNHDCTTLMQJR-MBYLXDGQSA-N 342.479 4.616 30 40 EJEB CC(C)(CCC#N)CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 557984396 CGSZPLFBCZCRBE-LSDHHAIUSA-N 339.266 4.543 30 40 EJEB CCOP(=O)(OCC)O/N=C(\C)c1cccc(C(F)(F)F)c1 4963911 UPGPYZOHZGLGBT-LICLKQGHSA-N 339.250 4.627 30 40 EJEB N#Cc1ccccc1CSc1nc(C(F)(F)F)nc2ccccc12 6588993 WNCNXLBUUAPAJL-UHFFFAOYSA-N 345.349 4.813 30 40 EJEB N#Cc1c(-c2c(Cl)cccc2Cl)cc(-c2ccncc2)nc1N 20266339 ASKUQGVZHTVGMP-UHFFFAOYSA-N 341.201 4.571 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]23CO3)C1 36542288 PQMPPACKUYBMIW-MFHSYZQISA-N 346.511 4.707 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 225462024 YOTQKZCUUXWWEN-IBGZPJMESA-N 338.476 4.615 30 40 EJEB C#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br 409214508 XZOSXDXQWLWLGA-UDWIEESQSA-N 342.236 4.829 30 40 EJEB COc1ccc(/C=N/c2ccc(C)c(Br)c2)cc1OC 342675 XAOOLJMKWDWEHF-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB N#Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 4676555 CIQCFNQSVWOWAT-UHFFFAOYSA-N 325.582 4.771 30 40 EJEB Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 48276580 BPWRQHNADWXFQH-JXMROGBWSA-N 330.409 4.553 30 40 EJEB CCCCCCCCNC(=O)CSc1nc2ccccc2s1 100944073 TUYUBVQZTKJVTL-UHFFFAOYSA-N 336.526 4.865 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 222846322 SEIDUMUBFJTVLE-CQSZACIVSA-N 345.826 4.619 30 40 EJEB COc1ccc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960487 MFDGXNFVPYLZCI-MTJSOVHGSA-N 335.359 4.712 30 40 EJEB Cc1cccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)c1C 409213799 UPLNDCMKPUCDTP-WSDLNYQXSA-N 333.387 4.671 30 40 EJEB O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(Br)cc1 1614998 HJAFLNWULWLZDY-UHFFFAOYSA-N 347.052 4.683 30 40 EJEB N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)o2)cc1 5170259 STOFIPPGOFDIRA-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB CC/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1ccccc1 5416820 QSCOTSPWEPMSNE-HMMYKYKNSA-N 331.872 4.749 30 40 EJEB C=CCOc1c(Cl)cc(CN[C@H](C)c2ccccc2)cc1OC 8535301 KGEMUQVILNWWHV-CQSZACIVSA-N 331.843 4.764 30 40 EJEB CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@@H]1C3 31163600 AXCCTUATUTWPBD-BHMKJSQQSA-N 346.511 4.778 30 40 EJEB biogenic,in-vitro O=C(O)c1cc(-c2ccc(/C=N/Nc3ccccc3)o2)ccc1Cl 409219708 PFBUOTVCWBBZLN-RGVLZGJSSA-N 340.766 4.744 30 40 EJEB C/C=C\[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97949863 RYUIEKVXZQICBY-SWOZAWMQSA-N 326.105 4.598 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/O 118935194 FVRSZRQIIWPOJR-YXWZBHHKSA-N 344.495 4.567 30 40 EJEB CCN(CC)c1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 3911127 WHBQXAOYJYWNSN-SDNWHVSQSA-N 347.414 4.535 30 40 EJEB Cc1cc(Cl)c(O)c(/C=N/c2cccc(NC(=O)C(C)C)c2)c1 5959480 IEZYDLSXVZQTHB-KEBDBYFISA-N 330.815 4.699 30 40 EJEB C#CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br 8368000 LZSFMDSTLOPFPY-UDWIEESQSA-N 342.236 4.829 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1ccccc1 12032517 WQNYAFJBGOPSSW-AQTBWJFISA-N 330.412 4.731 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 51318857 YOMDVHSDVLFRKQ-VAWYXSNFSA-N 346.224 4.656 30 40 EJEB CCCCOc1ccccc1/C=N/Nc1nc2ccccc2s1 59387321 PVMNZRONIXPEJZ-CPNJWEJPSA-N 325.437 4.921 30 40 EJEB CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cccc(Cl)c1 101244098 BMBXKDLYSPEGCR-WJDWOHSUSA-N 343.835 4.913 30 40 EJEB C=CCSc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 225852214 FRCYVBMIVXZVCC-UHFFFAOYSA-N 347.509 4.511 30 40 EJEB N#Cc1cccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)c1 1565672461 BEIVAOVMYCUKAD-UHFFFAOYSA-N 329.215 4.550 30 40 EJEB CC(C)CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1 5572988 RQTVWPDUTSYNSV-AQTBWJFISA-N 337.444 4.896 30 40 EJEB Cc1ccc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)cc1 9423333 BNFKFXWOMKAZGX-JXAWBTAJSA-N 340.382 4.955 30 40 EJEB CN[C@@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O 34781213 KQBLYDZKTIEVTF-QFQMRYFISA-N 331.868 4.653 30 40 EJEB C=CCc1cc(CO)cc(OC)c1OCc1cccc2ccccc12 409118974 RMMKROJNCSTACU-UHFFFAOYSA-N 334.415 4.648 30 40 EJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(C3CCCCC3)c2C)C1=O 4695954 JISKNYVHTISMRB-SFQUDFHCSA-N 344.480 4.832 30 40 EJEB Cc1cc(C)[n+]2c(c1C#N)S[C@@H](c1ccccc1)[C@@H]2c1ccccc1 4727982 CJFNLHIODIEEFO-SFTDATJTSA-N 343.475 4.899 30 40 EJEB C=CCc1ccc(OCc2nc3ccccc3n2CC=C)c(OC)c1 5235843 RKBAPRVDVLFCGR-UHFFFAOYSA-N 334.419 4.538 30 40 EJEB Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N/OC(C)C)c1 6483662 GMMWMLRSGQSQHI-GIJQJNRQSA-N 336.844 4.788 30 40 EJEB COc1ccc(Nc2oc(/C=C/c3ccc(F)cc3)nc2C#N)cc1 8614893 QALZKPXNKMGZIR-NYYWCZLTSA-N 335.338 4.608 30 40 EJEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 9089986 VACBGWNEWYEGKL-ASSNKEHSSA-N 334.419 4.527 30 40 EJEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O 16661700 PQJZDZLDUCXUIF-PYEASBQRSA-N 334.444 4.833 30 40 EJEB N#CCCSc1ccccc1NC(=O)Cc1c(F)cccc1Cl 95953451 HAUKWGRUKBEIKX-UHFFFAOYSA-N 348.830 4.666 30 40 EJEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(O)cc1O 105473063 AGMGSAOQLGRLTK-DNTJNYDQSA-N 344.720 4.606 30 40 EJEB C=CCOc1cccc(NC(=O)CCc2cccc3ccccc23)c1 222669046 UNUOVPOKAWSFAZ-UHFFFAOYSA-N 331.415 4.976 30 40 EJEB CC(C)N1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 408906974 FMCQUXWGNGOXLC-ODVGHASUSA-N 328.462 4.761 30 40 EJEB CCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1cc(C)ccc1C 408910257 JEOJZLZWESATOW-BDYZYUDZSA-N 342.489 4.989 30 40 EJEB Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)cc1 353746 OUSNSJJUVGAGJV-UHFFFAOYSA-N 328.371 4.911 30 40 EJEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 411703 MXNJQCNOKBJBFU-KIHMUJGBSA-N 340.448 4.512 30 40 EJEB CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccco3)cc2c1 4280309 AKIYHXAPNCWHKU-VMPITWQZSA-N 327.767 4.776 30 40 EJEB CNc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 5693017 FLUHWCQCQFHBFI-ZRDIBKRKSA-N 332.359 4.686 30 40 EJEB aggregator Cc1ccc(C(=O)Sc2nc(-c3ccccc3)ccc2C#N)cc1 6266883 NNAWYOGUPVJOCZ-UHFFFAOYSA-N 330.412 4.861 30 40 EJEB CCCCCCCCNS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861677 NSBXHVZMDBVRPP-UHFFFAOYSA-N 345.508 4.577 30 40 EJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2143 PDMMFKSKQVNJMI-XUCMERPOSA-N 344.495 4.840 30 40 EJEB biogenic C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1ccc(C)cc1 500484 ILOUPJVQWYHMHV-UHFFFAOYSA-O 337.468 4.949 30 40 EJEB C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2C#N 4024528 FUZCPLHZMKOTCW-RZTRGMPVSA-N 341.495 4.832 30 40 EJEB biogenic C=C(C)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 5824681 SYHNAGSCZCTRCU-RQIKSRJSSA-N 348.398 4.823 30 40 EJEB biogenic Cc1cccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1 409229908 AUWULJNKIMNKKM-MHWRWJLKSA-N 342.851 4.848 30 40 EJEB COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)c1 411736 KMRFXPMAEQSKEQ-OVMKCGGTSA-N 340.448 4.512 30 40 EJEB Cc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1 508046 NVBABPRVFJDOKL-UHFFFAOYSA-N 349.415 4.745 30 40 EJEB Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCCC3)o1 2734324 JCEZRAPPVHVZKL-ZHACJKMWSA-N 340.448 4.832 30 40 EJEB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)c1ccc(F)c(F)c1 7712512 UUXCGOQUIGIHSE-FNORWQNLSA-N 338.785 4.675 30 40 EJEB COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccc(C)cc2)o1 8550098 WCKCNHRHPYAPAZ-VAWYXSNFSA-N 345.402 4.646 30 40 EJEB O=C1/C(=C\c2ccc(O)cc2)CC[C@@H]1CNc1ccc(Cl)cc1 16957535 KRNGWPMSMWJZKZ-QKXCFHHRSA-N 327.811 4.520 30 40 EJEB CSc1ccc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 40157938 GZCVCGAAGUXIAG-MDWZMJQESA-N 349.459 4.502 30 40 EJEB N#CCCCOc1cccc(CN[C@H]2CCSc3ccccc32)c1 96403299 RLSCRAVOYPNNHB-IBGZPJMESA-N 338.476 4.696 30 40 EJEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CC(c1ccccc1)c1ccccc1 620317199 PCNXXLCRLCNJGV-OYRHEFFESA-N 331.459 4.918 30 40 EJEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(F)cc1 226604 FITWLNZQKMBRAD-REZTVBANSA-N 328.568 4.698 30 40 EJEB C=C(C)CNC(=S)Nc1ccc(Oc2ccc(OCC)cc2)cc1 16306804 ACELKFRUCDMFFR-UHFFFAOYSA-N 342.464 4.740 30 40 EJEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c3ccccc3n2)o1 46085352 GBXYGYQQUGNEDF-FYJGNVAPSA-N 328.375 4.644 30 40 EJEB CC/N=C1/S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1CC 408931067 GRUMCXRZTCFPOK-SXFBWKAHSA-N 336.460 4.666 30 40 EJEB C=CCOc1ccc(Br)cc1CNc1cccc(C)c1 409121887 VMZBGCVQMNRPDS-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 66191 YSVJRZMDJLWNAE-HZHRSRAPSA-N 344.414 4.975 30 40 EJEB Clc1ccc(Cl)c(/N=C/c2ccc(N3CCOCC3)cc2)c1 345127 GCAJYHYHWBXBIM-UDWIEESQSA-N 335.234 4.581 30 40 EJEB CCOC(=O)c1c(/N=C/c2ccccc2O)sc2c1CC[C@@H](C)C2 411691 PXJLMWOYDOCIEO-ZICWZVMQSA-N 343.448 4.506 30 40 EJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccccc1Cl 5649725 JBTYOVJZMOBXIN-ZROIWOOFSA-N 349.242 4.885 30 40 EJEB COc1ccc(-n2c(C)cc3c2CCC/C3=N\Nc2ccccc2)cc1 5798772 HFLHYERRPUGZFY-DARPEHSRSA-N 345.446 4.947 30 40 EJEB N#CCc1cn(-c2cc(Br)ccc2F)c2ccccc12 95915655 LXMDEEIBJKTTPV-UHFFFAOYSA-N 329.172 4.598 30 40 EJEB Cc1cc(C)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)c1 409210352 KJKPHWMIFLIDRF-MVLGTPAKSA-N 330.497 4.701 30 40 EJEB C=CCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 3087718 HBDYDHKXXFIORO-UHFFFAOYSA-N 326.368 4.979 30 40 EJEB Cc1cc(N[C@H](C#N)c2ccc(-n3ccnc3)cc2)ccc1C(C)C 4025509 DACJNVAUUQQERU-OAQYLSRUSA-N 330.435 4.981 30 40 EJEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1 408591893 VWLCLMWWBFGIIO-WSDLNYQXSA-N 347.397 4.556 30 40 EJEB O=C1CCCC2=C1[C@@H]([C@@H]1CC=CCC1)Nc1ccc3ncccc3c12 128668 LERPWBLFAPTXOQ-JLCFBVMHSA-N 330.431 4.892 30 40 EJEB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC=C(C(C)C)[C@H]4O[C@@]34CC[C@@H]12 5103189 GJXHDHSFRNFOKH-RONQAZRQSA-N 332.484 4.506 30 40 EJEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 6927492 CDWDQAJKLAIYKU-ATVHPVEESA-N 349.773 4.945 30 40 EJEB CC(C)(C)c1nc(C#N)c(Sc2ccc(Br)cc2)o1 27529819 PUBBZBVOSAZKKJ-UHFFFAOYSA-N 337.242 4.757 30 40 EJEB N#Cc1cn(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2ccccc12 226361785 HLPOXVNAEDMLDJ-UHFFFAOYSA-N 330.318 4.601 30 40 EJEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OC 409114392 JJRSQZFFCPYNCJ-UHFFFAOYSA-N 325.452 4.997 30 40 EJEB CC(C)OC(=O)COc1ccc(/C=N/c2cccc3ccccc23)cc1 409185339 XNWBTVUFQPXJPJ-OEAKJJBVSA-N 347.414 4.921 30 40 EJEB CC(C)OC(=O)COc1ccc(/C=N/c2ccccc2C(C)C)cc1 409190812 WKFKRPVQEUYSFB-LPYMAVHISA-N 339.435 4.891 30 40 EJEB C/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1scnc1C 585145578 PEANPCHIUMDOQQ-IKLLWGIXSA-N 347.443 4.548 30 40 EJEB N#Cc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c(F)c1 57604263 IJFMHFCIEVICPI-QGZVFWFLSA-N 337.423 4.644 30 40 EJEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1c1ccccc1 100327144 BADVHJGHRGRNLD-NMWGTECJSA-N 347.805 4.835 30 40 EJEB COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C#N)sc2c1 38635 ZSKYHUNCPQETSY-UHFFFAOYSA-N 342.807 4.687 30 40 EJEB CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1 535837 SYEZDYUELVTJSF-UHFFFAOYSA-N 332.407 4.518 30 40 EJEB C=CCOc1cc(N(CC)CC)ccc1/C=N/c1ccccc1OC 5311744 DRCUDCXOXRLTOZ-CJLVFECKSA-N 338.451 4.857 30 40 EJEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)cn1 16513375 LGWRBVZRBCAYKL-FZSIALSZSA-N 346.011 4.607 30 40 EJEB C=CCSc1ccccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 40104103 PKPDGWZWZCYTGZ-GFCCVEGCSA-N 344.402 4.771 30 40 EJEB CCCCOc1ccc(-c2cc(-c3ccc(C)o3)[nH]c(=O)c2C#N)cc1 55104071 MHSWJXBZSJYOEF-UHFFFAOYSA-N 348.402 4.661 30 40 EJEB CCCCOC(=O)/C=C\c1ccc(N=Cc2ccc(OC)cc2)cc1 299888281 CULYZFOOJBHBNM-ODYNXPLISA-N 337.419 4.802 30 40 EJEB O=C1/C(=C/c2ccc(Br)cc2)CSc2ccccc21 481221 XBKTZWASAVGDJE-FMIVXFBMSA-N 331.234 4.821 30 40 EJEB CCc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 8084586 AZUSKFOJZDKEIH-HZHRSRAPSA-N 345.446 4.802 30 40 EJEB Cc1ccc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)o1 8413648 HSCPJAVCSZBFDL-GZTJUZNOSA-N 334.400 4.633 30 40 EJEB FC(F)(F)c1ccc(Cl)c(/N=C/c2ccc3c(c2)OCO3)c1 18058520 XGQOCESAPLRPPM-IFRROFPPSA-N 327.689 4.838 30 40 EJEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(C)c1 2454086 CRLVZNRGEHPACT-UHFFFAOYSA-N 346.459 4.604 30 40 EJEB CCOc1cc2c3c(c1)/C(=N\c1ccccc1)C(=O)N3C(C)(C)C=C2C 16756300 GAQRNTDABHSJFS-FCDQGJHFSA-N 346.430 4.748 30 40 EJEB CCCCCCCNC(=O)CCC(=O)Nc1ccc(C(C)C)cc1 98045205 HUOHTILHDFKHPI-UHFFFAOYSA-N 332.488 4.615 30 40 EJEB CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@H]12 118932955 HMVLGFGCMLJNDB-BQFHRQOUSA-N 330.512 4.761 30 40 EJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 408954621 UDZYLYUFASGBDR-KGENOOAVSA-N 348.406 4.511 30 40 EJEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCC 409111175 BCGJUXWYXARSGG-UHFFFAOYSA-N 325.452 4.997 30 40 EJEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1O 6958619 BVCKYUYJOKBOTJ-VCHYOVAHSA-N 334.213 4.612 30 40 EJEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(OC)cc1 8116469 LRQIZEXCKPNMJJ-XDHOZWIPSA-N 346.224 4.773 30 40 EJEB COc1cccc(N/C(S)=N\N=C2CCC(C(C)(C)C)CC2)c1 13683989 GEDXHXLJVUDZJO-UHFFFAOYSA-N 333.501 4.985 30 40 EJEB COc1ccc(-n2c(-c3cccc(C#N)c3)nc3ccccc32)cc1 24992300 SKPHUPWLXNRYET-UHFFFAOYSA-N 325.371 4.573 30 40 EJEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccccc2Br)c1 409089975 PNFRULSVEZLLTN-PXNMLYILSA-N 339.576 4.761 30 40 EJEB CCCCOc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 5309447 GCICLXRBEHBCLU-CPNJWEJPSA-N 325.437 4.921 30 40 EJEB CCCCCCNc1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2 20840721 LJGBHERFLBEVCQ-UHFFFAOYSA-N 329.488 4.920 30 40 EJEB N#Cc1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2 46136 CHTWFXJHJLJOMB-UHFFFAOYSA-N 331.828 4.796 30 40 EJEB Cc1snc(SCC(=O)c2ccc(Cl)cc2Cl)c1C#N 1393858 JGSHZDSMRVLNHQ-UHFFFAOYSA-N 343.260 4.605 30 40 EJEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O 4268127 WKAYOVWRMPJCBT-SOFGYWHQSA-N 345.181 4.996 30 40 EJEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(F)cc2)o1 101411519 UAHITZDXARNAJN-FYJGNVAPSA-N 328.391 4.644 30 40 EJEB C=CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915056 BQXKIYVBCVCFAZ-WQPKYIKBSA-N 332.528 4.697 30 40 EJEB O=C(O)c1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 409208205 AHKRUNGKUVUKHR-HYARGMPZSA-N 331.371 4.714 30 40 EJEB CC1(C)CC(=O)C(Cl)=C(Nc2ccc(OC(F)(F)F)cc2)C1 5190281 UPZQACVYGNRDLU-UHFFFAOYSA-N 333.737 4.837 30 40 EJEB CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC 7741478 MIARTQJJEJNPQI-RUDMXATFSA-N 334.774 4.783 30 40 EJEB Cn1nc(-c2ccccc2)c(/C=N/O)c1Sc1ccccc1Cl 100271466 FJGLIUQNFBUQNF-YBFXNURJSA-N 343.839 4.700 30 40 EJEB CCC[C@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C#N)C1 1003048 ISAUBRJWAQHJRJ-ZDUSSCGKSA-N 342.464 4.987 30 40 EJEB CCc1ccc(-c2csc(N/N=C/c3ccc(OC)cc3)n2)cc1 4957140 NXIWNJHXSQDHMJ-UDWIEESQSA-N 337.448 4.827 30 40 EJEB Cc1cc(C)c(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1C 6280563 STKYQXWZVBGYJB-MRCUWXFGSA-N 337.492 4.551 30 40 EJEB COc1ccccc1/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O 12859681 DLGGWUHTRQKYHN-NDENLUEZSA-N 336.387 4.656 30 40 EJEB biogenic CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 13639995 LEYWQPLZYJVZSF-GOSISDBHSA-N 337.810 4.568 30 40 EJEB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C 84671121 LTWQZVNMZDTDFL-SFTDATJTSA-N 344.458 4.658 30 40 EJEB N#Cc1c(Cl)csc1NC(=O)Cc1c(Cl)cccc1Cl 95450506 QHCMXXVXNHGMHC-UHFFFAOYSA-N 345.638 4.761 30 40 EJEB Cc1ccc(/N=C\c2ccc(N3CCCC3)o2)c(Br)c1 408844616 DTTKMZLDLBSDQI-WQRHYEAKSA-N 333.229 4.701 30 40 EJEB Cc1ccc(NC(=S)N/N=C/c2ccc(-c3ccccc3)o2)cc1 4608567 YLXPINUAQWWTQS-DEDYPNTBSA-N 335.432 4.576 30 40 EJEB CN1N=C(c2ccc3ccccc3c2)CS/C1=N\Cc1ccccc1 15406198 UIHHEGRJJKFTGL-DQRAZIAOSA-N 345.471 4.779 30 40 EJEB CCc1nc(NC2CCCCC2)c(C#N)c2c1CSC(C)(C)C2 20841151 IHQIZJFPPFRWBP-UHFFFAOYSA-N 329.513 4.828 30 40 EJEB CCn1cc(/C=C2\Oc3c(ccc(OC)c3C)C2=O)c2ccccc21 28182712 NEOZQOCZGUPHNJ-ODLFYWEKSA-N 333.387 4.594 30 40 EJEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccccc2)c1 59678265 MNEXKIJNFWNYND-FYJGNVAPSA-N 338.794 4.668 30 40 EJEB C=CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)sc2c1 73635136 LKHBBJSBWSLBFH-UHFFFAOYSA-N 329.808 4.960 30 40 EJEB O=C(/C=C/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1 104133867 FYTQJBOKKJMFPY-QBDURLHVSA-N 326.399 4.942 30 40 EJEB COc1ccc(CN/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1OC 216055947 PUUAYFRXAIAHGJ-HZHRSRAPSA-N 340.467 4.515 30 40 EJEB COc1cc(OC)c(/C=N/c2cc(C)cc(C)c2)cc1Br 297774 HQAKJUBYFKHDCN-VXLYETTFSA-N 348.240 4.834 30 40 EJEB C[C@@H]1CN(C(=O)c2ccc(F)cc2)/C(=N/c2ccccc2Cl)S1 499383 PWSSZXSRBCWDKO-PLYKVXEXSA-N 348.830 4.744 30 40 EJEB FC(F)(F)c1ccccc1N/N=C/c1cccc(Br)c1 4934761 KBNDJGUOCZQERK-DJKKODMXSA-N 343.146 4.914 30 40 EJEB CN(C)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 409063638 AKQVDEJGTYYPGK-MDZDMXLPSA-N 335.234 4.868 30 40 EJEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 409094267 DBNDWRICJKUJQD-CAOOACKPSA-N 325.151 4.661 30 40 EJEB O=C(/C(=C/c1ccccc1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 409347207 NFHWOTSZEDRIJP-UVTDQMKNSA-N 338.712 4.738 30 40 EJEB O=C(/C=C/c1ccc2ccccc2c1)c1cc2ccccc2oc1=O 4268129 JPZZNXBPKWDOHM-ZRDIBKRKSA-N 326.351 4.842 30 40 EJEB Cc1cc(C)cc([C@@H](C)/N=C/c2cc(Br)ccc2O)c1 17141951 SZIMQWAWDOGJCK-BUESGFEBSA-N 332.241 4.952 30 40 EJEB C=CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 30852687 HDPAYXUIRZRYNX-UHFFFAOYSA-N 333.387 4.666 30 40 EJEB Cc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 101474769 AIRYXUHUILESKS-UHFFFAOYSA-N 338.169 4.646 30 40 EJEB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C 118928283 TXNRRTVCPLKVLB-OWBNMNIKSA-N 331.500 4.776 30 40 EJEB CN(C)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933694 FOHROIQXEIGZAS-GUCLMQHLSA-N 329.528 4.839 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 222887139 NCNIOTKDKNCFGC-HXUWFJFHSA-N 339.435 4.610 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 222988878 MKHLKPJEGRMFCP-HXUWFJFHSA-N 339.435 4.664 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OC 409115757 HAIGRFSGMUPJNM-UHFFFAOYSA-N 329.827 4.590 30 40 EJEB Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O 318225 RKJSTPXLRJBHCM-WSDLNYQXSA-N 344.370 4.965 30 40 EJEB COc1cccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1OC 6646384 ABQAVMZIWJYKRH-MDZDMXLPSA-N 336.309 4.619 30 40 EJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 7335896 UFGQSGYHDACBFY-SOFGYWHQSA-N 344.779 4.754 30 40 EJEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OC 8368482 COHIJZXWKUPILR-VXLYETTFSA-N 348.240 4.834 30 40 EJEB N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)c(F)c1 64249491 QXIYZPUXBGTLMV-QGZVFWFLSA-N 328.818 4.558 30 40 EJEB COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 71976938 ZKCMARFGHCIZTJ-XVNBXDOJSA-N 337.202 4.907 30 40 EJEB C=CCOc1ccc(CNc2ccc(OC)cc2)cc1Br 409111303 BLIHVIOXDATFON-UHFFFAOYSA-N 348.240 4.635 30 40 EJEB C=CCc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)c1O 64190 WVOOSSNANDPDCQ-AEOXGOBCSA-N 336.460 4.929 30 40 EJEB O=C(/C=C/c1c(Cl)cccc1Cl)c1cc2ccccc2oc1=O 5518154 HANNQBUXRUJESU-CMDGGOBGSA-N 345.181 4.996 30 40 EJEB CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1O 7743296 ZZEZDYNXTWWZRZ-VOTSOKGWSA-N 337.202 4.994 30 40 EJEB C/C(=N\Nc1cc(C)c2ccccc2n1)c1ccc(-n2ccnc2)cc1 24036257 YZHHAFLSETZOHR-LFVJCYFKSA-N 341.418 4.565 30 40 EJEB O=[N+]([O-])c1cc(/N=C/c2ccc(Br)s2)ccc1Cl 96014 MEFIQWDIYBSYQR-MKMNVTDBSA-N 345.605 4.823 30 40 EJEB Cc1ccccc1CO/N=C1\C(=O)N(c2ccccc2)c2ccccc21 1403314 MXJFJSGNKHJSNC-LNVKXUELSA-N 342.398 4.594 30 40 EJEB COc1ccccc1/C=N/Nc1nc(-c2ccc(C)cc2C)cs1 4957172 DLRZBYBLWKIZQC-RGVLZGJSSA-N 337.448 4.882 30 40 EJEB COc1c(C(=O)/C=C/c2ccc(Cl)cc2)c(O)cc2occc12 5675295 KVPPJWSRECHASD-QPJJXVBHSA-N 328.751 4.697 30 40 EJEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 12864040 CKJGSRLOXPUWRF-RUDMXATFSA-N 334.774 4.783 30 40 EJEB CCCCCCCCNCCOC(=O)c1ccc(N(CC)CC)cc1 104101830 OPTBKUADNFFCSO-UHFFFAOYSA-N 348.531 4.640 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OCC 409115872 IAXYTXXIZGJQCX-UHFFFAOYSA-N 343.854 4.980 30 40 EJEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3CC)NC2=O)cc1 5551571 PQDAAATUPVNVAG-AQTBWJFISA-N 336.460 4.703 30 40 EJEB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)Cc2ccccc21 15188033 KJRWRRVXHXOQPO-WYMLVPIESA-N 331.327 4.677 30 40 EJEB O=C1C(=Cc2ccc(Oc3ccccc3)cc2)C(=O)c2ccccc21 19074775 NZJNOLFTPMAEBQ-UHFFFAOYSA-N 326.351 4.942 30 40 EJEB CCCCCCCCCCCCNC(=O)NCC(OCC)OCC 73257922 QACMUCLEWICCOW-UHFFFAOYSA-N 344.540 4.606 30 40 EJEB C=C[C@@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1 90000689 XISCYFFPXUEVNX-LBPRGKRZSA-N 348.215 4.887 30 40 EJEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1C 408779738 JHUFOWZUHJCTFL-CAOOACKPSA-N 325.637 4.808 30 40 EJEB Cc1nc2cc(/N=C/c3ccccc3O)ccc2n1Cc1ccccc1 502401 PNQRMWDRZVRYPD-OEAKJJBVSA-N 341.414 4.849 30 40 EJEB N#Cc1ccccc1COc1nnc(-c2ccccc2)c2ccccc12 2657041 ZYKGPVYRACKYET-UHFFFAOYSA-N 337.382 4.747 30 40 EJEB Cc1cccc(Oc2ccccc2NC(=O)c2ccc(C#N)cc2)c1 15985352 VPKYUPWOGMMDPV-UHFFFAOYSA-N 328.371 4.911 30 40 EJEB CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2SCC#N)cc1 23057322 XAZQOLQYVLZOOI-OAHLLOKOSA-N 338.476 4.917 30 40 EJEB C/C(=N/c1ccc(Br)cc1Br)OCC(C)C 104065651 OJIMEAINBRTCNA-DHDCSXOGSA-N 349.066 4.934 30 40 EJEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC1=[N+]([O-])CCN1 104370693 LYAOJMQMJXWQCP-OALUTQOASA-N 338.536 4.747 30 40 EJEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@]2(O)c1ccoc1 256465606 WAODSNXUGKNQRK-BTOHRNCKSA-N 340.463 4.609 30 40 EJEB COc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1C(C)C 408592146 LESNUULKRQLZCW-RGVLZGJSSA-N 342.395 4.586 30 40 EJEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408760533 AIJLNHBYEHGOTE-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 2767419 GVVZJQRBVQKKFE-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB Oc1ccccc1/C=N/c1c(-c2ccco2)nc2ccc(Cl)cn12 59446049 QGANMKJAMJWPIQ-KEBDBYFISA-N 337.766 4.704 30 40 EJEB N#Cc1cnc2c(Cl)cc(N)cc2c1Nc1ccc(F)c(Cl)c1 95937947 MCEANZPRIXYDJY-UHFFFAOYSA-N 347.180 4.878 30 40 EJEB CCCC(=NOCC)C1=C(O)C[C@H](C[C@@H](C)SCC)CC1=O 257351219 CSPPKDPQLUUTND-OLZOCXBDSA-N 327.490 4.502 30 40 EJEB Cc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408953152 OLZWGTHHBZVHKI-VIZOYTHASA-N 343.018 4.864 30 40 EJEB COC(=O)c1c(C)[nH]c(/C=N/c2ccccc2F)c1-c1ccccc1 494822 CDHBFTGAVWLVEM-WSDLNYQXSA-N 336.366 4.666 30 40 EJEB Cc1[nH]c2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9195969 YJPPQGIMRFJMFJ-AWQFTUOYSA-N 332.234 4.907 30 40 EJEB Cc1ccc2c(c1)/C(=N/Nc1ccnc3cc(Cl)ccc13)C(O)=N2 12557997 JRDWJTIJJIDXHH-UHFFFAOYSA-N 336.782 4.614 30 40 EJEB N#Cc1ccc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nc1 36797969 FVFQSEDEMFYRTH-IBGZPJMESA-N 338.414 4.679 30 40 EJEB Oc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1Cl 57411935 DKNUDENRBRISBS-QGMBQPNBSA-N 342.595 4.566 30 40 EJEB C=C[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105364908 HQCWLYGJDWRLIV-IQFIKXPYSA-N 341.451 4.655 30 40 EJEB biogenic Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccc(Cl)cc2)c1 225882386 LZTGZKWKAXDNER-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB CSc1nc(NCc2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 5607409 OAINBJDWJYHNAD-UHFFFAOYSA-N 346.459 4.658 30 40 EJEB Cc1ccn2c(/C(CSc3ccc(Cl)cc3)=N/O)c(C)nc2c1 100914614 ZQKNLUPXKAJHGP-HMMYKYKNSA-N 345.855 4.575 30 40 EJEB Cc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101474700 CTAYWRAFXAZEIM-UHFFFAOYSA-N 338.169 4.646 30 40 EJEB C=C1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118915021 PUCXZBGPUPYKFE-LXIBVNSESA-N 342.479 4.616 30 40 EJEB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 60353 UBSGRYFBBYTKRF-UHFFFAOYSA-N 344.439 4.904 30 40 EJEB Cc1ccc(N2C(=O)C[C@H](c3cccs3)C3=C2CCCC3=O)cc1 107111 KJXQNCVIZPNHAO-OAHLLOKOSA-N 337.444 4.584 30 40 EJEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 530042 GWSNNRKUJGFTSG-UHFFFAOYSA-N 349.818 4.809 30 40 EJEB COc1ccc(/N=C/C(Br)=C/c2ccccc2)cc1OC 3229306 PDBZNSXRWFYBOE-ZCUZHUOFSA-N 346.224 4.842 30 40 EJEB O=S(=O)(O[C@H]1C[C@@]12CCCC[C@H]2c1ccccc1)c1ccccc1 5734701 CQJLGYWTXRMZGF-SLFFLAALSA-N 342.460 4.508 30 40 EJEB C=C(C)Cn1c(=S)[nH]c2c(c1=O)C1(CCCC1)Cc1ccccc1-2 9067189 KZWIYKMCOQVVRU-UHFFFAOYSA-N 338.476 4.517 30 40 EJEB C=CCn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10118868 QILZKSATDAAOBV-OEAKJJBVSA-N 337.854 4.913 30 40 EJEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1O 113858684 ZMMDPYLKBHWULO-YBFXNURJSA-N 348.240 4.866 30 40 EJEB COc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 4739374 UPZNWYQMUCBOFC-UDWIEESQSA-N 336.347 4.922 30 40 EJEB O=C(/C=C(\Nc1ccccc1)c1ccc(Cl)cc1)C(F)(F)F 13400950 MDAZDCQKIDHFBR-UVTDQMKNSA-N 325.717 4.924 30 40 EJEB CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(C)cc1 18192515 JAFRFODMEWZGLF-FYJGNVAPSA-N 336.464 4.912 30 40 EJEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1Cl 98087144 REDGFKHHRQDENB-RGVLZGJSSA-N 340.766 4.744 30 40 EJEB C=CCSc1ccccc1C(=O)NCCSc1ccc(C)cc1 219798939 DEGOQOWGWPJXJT-UHFFFAOYSA-N 343.517 4.795 30 40 EJEB CN(C)c1ccc(/C=C2/CC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 175836 GPXHIYXWGUYGHF-IKBKFCNISA-N 346.474 4.649 30 40 EJEB N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2O)cc1 6694709 NPGBCBYHUVLFGG-UHFFFAOYSA-N 337.382 4.993 30 40 EJEB CCCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19820496 IAUSYMKIPQBVID-UHFFFAOYSA-N 332.860 4.603 30 40 EJEB N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1 21146921 GQALNAMBHXWYEI-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccccc2)o1 28236021 RTBHOCXXEPUBHE-UHFFFAOYSA-N 347.414 4.517 30 40 EJEB CC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccccc1F 101405345 ZLUAFXQYVHTHEV-SFHVURJKSA-N 333.362 4.558 30 40 EJEB O=[N+]([O-])c1ccccc1/N=C(\c1ccccc1)N(O)c1ccccc1 104130910 OZHSEPVISXWMJG-FMQUCBEESA-N 333.347 4.569 30 40 EJEB COc1cccc(/C=N/c2nc(-c3ccccc3Cl)cs2)c1O 104220252 CGVOIROFGCICEB-DJKKODMXSA-N 344.823 4.928 30 40 EJEB Cc1ccc(/N=C(/c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1 104223449 NYMKKVQAFTWENW-FLFQWRMESA-N 339.394 4.811 30 40 EJEB Brc1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1 408856240 JOZVOCHZUSOUPD-UYRXBGFRSA-N 329.241 4.800 30 40 EJEB Cc1ccc(N=C2NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1 408962796 VCSYQRSBWDZRIM-WOJGMQOQSA-N 336.460 4.812 30 40 EJEB COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Cl)c1OC 33731409 CRSQDXKSDXZGJV-ZROIWOOFSA-N 328.795 4.570 30 40 EJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccco3)c2C)cc1 408778397 TYAOWXXCJBAHJZ-FYJGNVAPSA-N 336.391 4.614 30 40 EJEB Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc2ccccc12 4677919 HNDWLDLYWWZWJR-LPYMAVHISA-N 327.387 4.848 30 40 EJEB C=CCN(CC=C)C(=S)Nc1ccc2cc3ccccc3nc2c1 6295671 KEKOVHKCGLQPDL-UHFFFAOYSA-N 333.460 4.759 30 40 EJEB CCO[C@H](c1ccc(C)cc1)c1c(C)oc2cc(C#N)c(C#N)cc12 78547665 XUQOEZRPQRNYAR-OAQYLSRUSA-N 330.387 4.919 30 40 EJEB Cc1c(/N=C/c2cc(C)n(-c3ccccc3)c2C)cccc1C(=O)O 408778987 OIFCFSIYNHDUFN-LPYMAVHISA-N 332.403 4.851 30 40 EJEB COc1ccc(/C=C2\CCCC(=C3SCCCS3)C2=O)cc1 3353288 RPCFBRJWDQFJSF-WYMLVPIESA-N 332.490 4.913 30 40 EJEB C=CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccccc1 8573663 MXCOBZOIEURAPF-UHFFFAOYSA-N 348.431 4.565 30 40 EJEB CCOc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 16407344 IOLZJYUGNGCEGC-CMDGGOBGSA-N 346.810 4.652 30 40 EJEB C=CCC(F)(P(=O)(OCC)OCC)P(=O)(OCC)OCC 199454467 VEIQOXFCAGXHEN-UHFFFAOYSA-N 346.272 4.718 30 40 EJEB CC[C@](C)(/N=C(/O)[C@@H]1CCc2cc(C)ccc2O1)c1nc(C)cs1 330012576 KUCRRLKVEUWIQF-LPHOPBHVSA-N 344.480 4.735 30 40 EJEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccccn2)cc1 5694582 AVECRNKDFJVYDZ-XQNSMLJCSA-N 330.435 4.554 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1 8570665 LALAUFMDHZBHEX-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB CN(C/C(O)=N/C1(C#N)CCCC1)C(c1ccccc1)c1ccccc1 23752534 FDKFTPTXKXUKIP-UHFFFAOYSA-N 347.462 4.501 30 40 EJEB COc1ccc(-c2cnc(SCCC#N)n2-c2ccccc2)cc1 44085329 VPIDGMFDQKVBSZ-UHFFFAOYSA-N 335.432 4.554 30 40 EJEB Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 66545017 JMDFETCHIKUWCX-CQSZACIVSA-N 349.440 4.542 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2/C(=N/Nc1ccccc1)C(F)(F)F 104028209 DMGQWPFEZYBJLJ-PQWGQHSDSA-N 338.373 4.658 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(F)cc1 35647348 SKZUZPINLCXHQW-WOJGMQOQSA-N 348.402 4.871 30 40 EJEB O=C(/C=C/Nc1ccccc1Cl)c1ccc(Br)cc1 44975021 HFVHXQRLKAHTLX-MDZDMXLPSA-N 336.616 4.911 30 40 EJEB CCCCCCC/C(=N/Nc1nc(C)cc(C)n1)c1ccc(O)cc1 102990144 UITVJOCEWUZOFT-NMWGTECJSA-N 340.471 4.976 30 40 EJEB CCN(CC)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575358240 OSQQXWFGTVTMNH-UHFFFAOYSA-N 345.258 4.548 30 40 EJEB C=CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C 6510232 OQKVDRADHYYRBM-UHFFFAOYSA-N 342.851 4.626 30 40 EJEB COc1ccc2cc(/C=C/C(=O)c3cccc(NC(C)=O)c3)ccc2c1 7744164 YCAZSEDGFVHBTP-YRNVUSSQSA-N 345.398 4.703 30 40 EJEB Cc1sc(/N=C(\O)Oc2ccccc2)nc1-c1ccc(F)cc1 28250386 LJVGCWXWOZVOCQ-UHFFFAOYSA-N 328.368 4.882 30 40 EJEB C/C(=N\c1ccccc1Br)c1cc2ccccc2oc1=O 68601506 UXGBRGABLOIHED-YBFXNURJSA-N 342.192 4.696 30 40 EJEB CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)N(C)C 85482680 YRXOQXUDKDCXME-LTUVJHAQSA-N 327.553 4.527 30 40 EJEB in-vivo CC(C)(C)c1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 253616955 GBJYULADQNTVHK-UHFFFAOYSA-N 342.512 4.794 30 40 EJEB N#Cc1ccccc1CSc1ncccc1-c1nc2ccccc2[nH]1 1329587 ZEBYEGFGBNLTNX-UHFFFAOYSA-N 342.427 4.789 30 40 EJEB O=C1/C(=C\c2ccc(Cl)cc2)CNC/C1=C\c1ccc(Cl)cc1 17195923 LBNHBGZGFHYLAA-CKOAPEAFSA-N 344.241 4.633 30 40 EJEB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C#N 225842640 VJEFOMXJLYZMNU-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB CCOC(=O)c1ccc(N/C=C2\C[C@@H](C(C)(C)CC)CCC2=O)cc1 408563956 SSESWQUFMBNXOP-ZQHZRZASSA-N 343.467 4.965 30 40 EJEB CC(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 147628 KNOAICFYFRMGFK-CIAFOILYSA-N 336.464 4.576 30 40 EJEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1CC(C)C 6672827 LQMBVFCRFIEHQB-VXLYETTFSA-N 326.469 4.817 30 40 EJEB N#Cc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 6879649 KTKOTIBIIMPOOB-UHFFFAOYSA-N 326.399 4.719 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1 13284073 BGMYBAXIYCMLPJ-FYJGNVAPSA-N 342.358 4.742 30 40 EJEB CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O 59144565 OFWGTRJQCVYFBE-KRWDZBQOSA-N 325.493 4.763 30 40 EJEB C[C@@H](C#N)CN(C)c1nc(C2CC2)nc2scc(-c3ccccc3)c12 71844058 SWVQLBMRGKIGKV-ZDUSSCGKSA-N 348.475 4.832 30 40 EJEB CCCCCCCOc1ccc(C(=O)CCCC(=O)OCC)cc1 100332141 AEQIYJVQTOYNDT-UHFFFAOYSA-N 334.456 4.952 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 216886664 KQJWDJKVXMBDOO-KPKJPENVSA-N 328.795 4.661 30 40 EJEB Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@H]1CCO[C@H](C(C)C)C1 330176791 KGKZQDKJRJWIPS-RDJZCZTQSA-N 341.455 4.814 30 40 EJEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Br)cc2)c1 283029 QRGNUDCKSKOIAW-LZYBPNLTSA-N 339.576 4.761 30 40 EJEB CCC(=O)Oc1c(/C=N/N(C)c2ccccc2)sc2ccccc12 4814900 HKRVKLAJQSJXCK-DEDYPNTBSA-N 338.432 4.687 30 40 EJEB Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1C 6254885 ZPXMCRYKNSQAGE-UHFFFAOYSA-N 325.220 4.796 30 40 EJEB C[C@H]1CCCC/C1=N\NC(=S)Nc1ccccc1C(F)(F)F 12566873 DBRDMVFFOUVZIV-WBWSGGQMSA-N 329.391 4.558 30 40 EJEB COc1cc(Cl)cc(/C=N\c2sc3c(c2C#N)CCCC3)c1O 15938608 TULZPOYSZDDDQQ-UKWGHVSLSA-N 346.839 4.617 30 40 EJEB CC(C)(C)C1=CC(N2CCOCC2)(C(C)(C)C)C=C(C(C)(C)C)C1=O 31769730 RFDSPYITBNYHCO-UHFFFAOYSA-N 347.543 4.631 30 40 EJEB CCON=C(CC)C1=C(O)C[C@@H](c2c(C)cc(C)cc2C)CC1=O 299847580 DQFPEYARZIQXRM-OAHLLOKOSA-N 329.440 4.673 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 408691822 RYKQPYVEFSTGQM-PKNBQFBNSA-N 332.355 4.849 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OC 409117671 PVUZDRNAUUSWAV-UHFFFAOYSA-N 335.447 4.610 30 40 EJEB CCOc1cc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)ccc1O 6049191 GAHKMIHEGHTCDJ-ONNFQVAWSA-N 348.398 4.849 30 40 EJEB Cc1ccc(C)c(SCC(=O)Nc2cc(Cl)ccc2C#N)c1 7062686 RSOHKSQYBKLCHN-UHFFFAOYSA-N 330.840 4.559 30 40 EJEB C[C@@H]1CCc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)csc2C1 78735987 ZKRBVCBTYHDTHR-YPMHNXCESA-N 336.416 4.504 30 40 EJEB COc1cc(/C=C2/Cc3ccccc3C2=O)cc(Cl)c1OC(C)C 96766644 QAWJNSJIEWFLMC-NVNXTCNLSA-N 342.822 4.958 30 40 EJEB O=C1N=C(Nc2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 104311508 GVOSDWFMUICKEL-ATJXCDBQSA-N 340.386 4.867 30 40 EJEB C=CCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226235986 DZVQOYMMDZOLCL-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB Cc1ccc(CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 545889 MJDRTFJFTNTODF-UHFFFAOYSA-N 336.460 4.709 30 40 EJEB COc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 4133079 AFCVTJCHRCYTGE-UDWIEESQSA-N 333.416 4.904 30 40 EJEB CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 4649226 ASOFYVRQEGJUDN-AWNIVKPZSA-N 339.460 4.899 30 40 EJEB CCN1C/C(=C/c2cccc(C)c2)C(=O)/C(=C/c2cccc(C)c2)C1 12604692 AXVUXKRHIVMKHK-VOKWCDJLSA-N 331.459 4.675 30 40 EJEB CCCC/N=C1\S/C(=C/c2ccc(C)cc2)C(=O)N1CCCC 35041917 ANFSOSJTJKLBOE-QNZHOBDDSA-N 330.497 4.868 30 40 EJEB CC1(C)Cc2c(cnc3ccccc23)C(=O)/C1=C\Nc1ccccc1 100098745 NANPUBKBFXXSLH-XMHGGMMESA-N 328.415 4.996 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C\O 118935193 FVRSZRQIIWPOJR-IZJLNCRWSA-N 344.495 4.567 30 40 EJEB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N 225755811 PAWHBVJKCCGJIY-UHFFFAOYSA-N 348.446 4.798 30 40 EJEB N#Cc1c(C2CCCCC2)nn(Cc2cccc3ccccc23)c1N 225848572 MFGYROJYFFBENS-UHFFFAOYSA-N 330.435 4.586 30 40 EJEB S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc2ccccc12 254828026 DQCVZIVQRVKNNW-UHFFFAOYSA-N 330.416 4.643 30 40 EJEB Cc1oc(C(C)C)cc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 331389533 DNVYXADSHKGSOJ-RTBURBONSA-N 336.435 4.623 30 40 EJEB CCCCOc1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc1 408604293 UQWRKEBPWQPXIK-NDENLUEZSA-N 346.814 4.663 30 40 EJEB CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(F)cc1 4893248 FBXHBBWRWIUZLV-CIAFOILYSA-N 340.427 4.743 30 40 EJEB CC(C)Oc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2[nH]1 6345946 QTJGUZFRRCKEQB-LPYMAVHISA-N 344.418 4.949 30 40 EJEB CCCCCCCCCCCC(=O)Nc1ccc(-n2cnnn2)cc1 8445878 ZYSNWUDAQPHYPW-UHFFFAOYSA-N 343.475 4.522 30 40 EJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1 36352850 IHPPQMVMXPFVDA-CQSZACIVSA-N 348.793 4.521 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N\c1cccc(Cl)c1Cl 409096855 FDWRHRVWEQYDQV-MTJSOVHGSA-N 349.261 4.889 30 40 EJEB CCO[P@@](=O)(CCCCCCC#N)Oc1ccc([N+](=O)[O-])cc1 1730984 KDHVTGOONRWTGV-QHCPKHFHSA-N 340.316 4.677 30 40 EJEB O=S(=O)(O[C@H]1C[C@@]12CCCC[C@@H]2c1ccccc1)c1ccccc1 5734703 CQJLGYWTXRMZGF-HSALFYBXSA-N 342.460 4.508 30 40 EJEB N#Cc1cnc2cc(-c3ccccc3)nn2c1-c1ccc(Cl)cc1 5902438 UOEZPJPXHOUIBE-UHFFFAOYSA-N 330.778 4.588 30 40 EJEB COc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OC 16921090 PKYBRJZWVUWFCJ-UCQKPKSFSA-N 342.398 4.556 30 40 EJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1 408706714 DCNTVXBZJFULEF-UHFFFAOYSA-N 338.879 4.535 30 40 EJEB N#C[C@@H](C(=O)c1occc1-c1ccccc1)c1nc2ccccc2o1 78735696 WJNQBZGVOORNBT-HNNXBMFYSA-N 328.327 4.578 30 40 EJEB COc1ccc(N/C=C2/C3=C(SCCC3=O)c3ccccc32)cc1 100916775 OUHYTMBMUYPKEZ-SFQUDFHCSA-N 335.428 4.579 30 40 EJEB Cc1ccc(C)c(NC(=S)N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)c1 585139616 YSAWMXPHSGLCDZ-ZMMDKTBSSA-N 327.497 4.568 30 40 EJEB COc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1 544706 RXBBQCAWCVEWFQ-UHFFFAOYSA-N 325.755 4.619 30 40 EJEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCC1 551417 QSZYBKPFUJHWJJ-UHFFFAOYSA-N 330.435 4.751 30 40 EJEB N#Cc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1C#N 991693 HJHAHWKSAJGSEH-UHFFFAOYSA-N 332.366 4.707 30 40 EJEB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OC3=CC(=O)C(O)=CC3=C[C@H]21 3874819 LOCMLXSTDCXZFJ-IZZBFERCSA-N 328.452 4.853 30 40 EJEB Cc1sc2ncnc(N/N=C/c3c(O)ccc4ccccc34)c2c1C 4680371 ZHLIBGVCPIYWGR-LSFURLLWSA-N 348.431 4.613 30 40 EJEB Cc1ccc(NC(=O)CSc2cccc(Cl)c2C#N)c(C)c1 95458227 VSLFTPWFUIVQAK-UHFFFAOYSA-N 330.840 4.559 30 40 EJEB Fc1cccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)o2)c1 409010991 FCUMPSQZDQHJNA-RMORIDSASA-N 349.287 4.946 30 40 EJEB C=CCOc1ccc(CNc2ccc(C)cc2)cc1Br 409118878 OTFDSAGYFUNRQQ-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB Cc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Cl)cc1 4866039 BBVCFCJRNOUGSJ-VXLYETTFSA-N 328.828 4.613 30 40 EJEB O=S(=O)(O[C@H]1C[C@]12CCCC[C@@H]2c1ccccc1)c1ccccc1 5734706 CQJLGYWTXRMZGF-AABGKKOBSA-N 342.460 4.508 30 40 EJEB O=[N+]([O-])c1ccccc1/C=N\c1ccc2c(c1)ncn2-c1ccccc1 13590332 YATNXGNJUIOOKL-BKUYFWCQSA-N 342.358 4.684 30 40 EJEB CCc1c(C)sc(NC(=O)c2csc3c2CCCC3)c1C#N 28225791 CUTFAGSTKVXBDU-UHFFFAOYSA-N 330.478 4.683 30 40 EJEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc[nH]1 58659664 IQSJGPQOGXKLLP-FSJBWODESA-N 347.447 4.831 30 40 EJEB Brc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 59249521 QTZNQHDMILPQTB-CPNJWEJPSA-N 325.209 4.990 30 40 EJEB O=C1c2ccccc2C(=O)C1/C(=N\c1ccc(F)cc1)c1ccccc1 100412465 IENDWHCBHFUQEK-GFMRDNFCSA-N 343.357 4.642 30 40 EJEB Cn1/c(=N/N=C2/C=C3CCCC[C@@]3(C)CC2)sc2ccccc21 104314945 IUZHEHZKBGVLLY-PWQWOFQSSA-N 325.481 4.797 30 40 EJEB Cc1ccccc1[C@H](NC(=S)Nc1ccc(CC#N)cc1)C(C)C 225760618 KBBLYPNOYYPYHR-LJQANCHMSA-N 337.492 4.745 30 40 EJEB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225825708 RMALFZZZURZVOU-MGPUTAFESA-N 346.471 4.659 30 40 EJEB C=CCn1c(/N=C/c2ccc(Br)cc2)nc2ccccc21 349281 VDZVGYUBXHDMHQ-XDHOZWIPSA-N 340.224 4.735 30 40 EJEB C=CCCCC(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1 4614294 HCQZPIIGHVJNRF-UHFFFAOYSA-N 330.497 4.906 30 40 EJEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)cc(F)c1 9088406 GZBPDTGPLLOQMH-BIBXISHDSA-N 340.373 4.797 30 40 EJEB CC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@@H]1C3 31163592 AXCCTUATUTWPBD-CWAYHHJTSA-N 346.511 4.778 30 40 EJEB biogenic,in-vitro O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCC/C1=C\c1cccs1 51330012 LVLSCCOPBGCMSI-LCPPQYOVSA-N 325.389 4.876 30 40 EJEB CCOc1ccc(Br)cc1/C=N/c1ccc(OC)cc1 103928383 COSFRVNLZIXFIT-WOJGMQOQSA-N 334.213 4.607 30 40 EJEB N#Cc1ccc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1 225658313 BOICZEFDPGLVRU-SFHVURJKSA-N 338.838 4.622 30 40 EJEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225827311 YIBUUXXERMFSSF-HXUWFJFHSA-N 346.471 4.659 30 40 EJEB C=CCN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 409148615 YVHZBCAYGCVXDS-YVLHZVERSA-N 340.448 4.520 30 40 EJEB C/C(=N\OC(=O)c1cccs1)c1ccc2c(c1)Cc1ccccc1-2 36644273 OXPGFKCHJNFNNB-FYJGNVAPSA-N 333.412 4.900 30 40 EJEB C=CCSc1ccccc1NC(=O)N(C)Cc1cccc(F)c1 40104104 YJPFBBPFCNXSTJ-UHFFFAOYSA-N 330.428 4.768 30 40 EJEB CC(C)(CCC#N)CNc1cccc(CSC2CCOCC2)c1 95429211 YYABCUKYAVJRKH-UHFFFAOYSA-N 332.513 4.841 30 40 EJEB O=Cc1ccc(C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)c1 642887117 NUCBLWSKECURCR-UHFFFAOYSA-N 342.132 4.807 30 40 EJEB CCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4537788 LFDIPETXTFNWHY-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB CN1C(=O)/C(=N/c2ccc(Oc3ccccc3)cc2)c2ccccc21 13396650 MMRDSTVCJDLTGG-LSDHQDQOSA-N 328.371 4.576 30 40 EJEB N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2cccnc2)nc1N 20292592 VQSZDLBKLZNGAQ-UHFFFAOYSA-N 341.201 4.571 30 40 EJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/C=C/c3ccccc3)S2)c1 39870272 BDHJEYFXUATUMG-CVCOPPNTSA-N 334.444 4.751 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408527576 BZTQDTCZZHZUGS-UHFFFAOYSA-N 345.826 4.864 30 40 EJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(O)c2)cc1OC 409382190 LXEMXVJBCBPTMG-WXYNYTDUSA-N 333.815 4.982 30 40 EJEB COC(=O)c1ccccc1-c1ccc(/C=C2\Cc3ccccc3C2=O)o1 1107641 TVWRSOOEZBPUPC-FYWRMAATSA-N 344.366 4.556 30 40 EJEB COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1OC 16227176 MLYGYDBWOFSVNG-SOFGYWHQSA-N 337.202 4.907 30 40 EJEB Cc1nc2ccccc2nc1COc1ccc2ccccc2c1C#N 16265422 HNMRETLOCFIUIV-UHFFFAOYSA-N 325.371 4.542 30 40 EJEB O=C1C(=C(O)/C=C/c2ccc(Cl)cc2Cl)C(=O)c2ccccc21 4135743 HNBIQQYQALWUTD-SOFGYWHQSA-N 345.181 4.898 30 40 EJEB Clc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1 4149692 VUJXSBWSBMMRCJ-RGVLZGJSSA-N 336.782 4.922 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 4582810 OPWBAPVDPXWZRK-XVNBXDOJSA-N 337.202 4.907 30 40 EJEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 18211505 PUILQQOVOLDUKM-WOJGMQOQSA-N 347.443 4.622 30 40 EJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(C)c1 97104985 FBTRBADUTASPPS-IFMALSPDSA-N 348.442 4.623 30 40 EJEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 408763103 HLPKXJYNHJHRMX-UCQKPKSFSA-N 346.430 4.940 30 40 EJEB CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc(C)c1C 501621 QMLNLDGXBJEORS-QGMBQPNBSA-N 337.828 4.651 30 40 EJEB Cc1ccc([C@@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1706533 HIKGKLNLJZQJOC-VQTJNVASSA-N 344.476 4.735 30 40 EJEB C=CCSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 409119126 RHZVIDVPUCCBNM-UHFFFAOYSA-N 337.448 4.611 30 40 EJEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl 570369 XTWCSTYOOKENPB-SNVBAGLBSA-N 344.867 4.959 30 40 EJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 14062616 OJDPAKRHBXKTAS-UHFFFAOYSA-N 331.441 4.624 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Oc2cccc(Cl)c2)cc1 225881861 AEHJKDQYEPJMCI-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB CCOc1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1O 1710203 APVAXVZXAPIPNR-OEAKJJBVSA-N 342.398 4.643 30 40 EJEB COc1ccc(N/C(=N/c2ccc(C)cc2)c2ccc(O)cc2)cc1 6275954 YJAOZKBRSBBNFO-UHFFFAOYSA-N 332.403 4.900 30 40 EJEB CCN(CC)c1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1 13126874 LNYQEQXQKKKFCI-CJLVFECKSA-N 339.483 4.835 30 40 EJEB CN(Cc1ccc(C#N)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 57758756 PZUCOWFPNCFPKU-JOCHJYFZSA-N 330.406 4.919 30 40 EJEB C/C(=N\Nc1ccc2ccccc2n1)c1ccc2ccccc2c1O 102409080 RMZOQAMOECWONV-OEAKJJBVSA-N 327.387 4.930 30 40 EJEB O=C1/C(=C/c2ccco2)S/C(=N/c2ccccc2)N1C1CCCC1 103710610 QSTYTUXCWQUINK-CAUPHXMNSA-N 338.432 4.826 30 40 EJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1 408748836 IFYVWQLHJGPWCI-RIYZIHGNSA-N 349.242 4.885 30 40 EJEB CC(C)c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408860881 HETOXCWUNQQXAR-BOPFTXTBSA-N 340.423 4.841 30 40 EJEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1O 409210477 JARVGSJTBANYTA-GIJQJNRQSA-N 334.213 4.531 30 40 EJEB CCCCCCCCCCCCSc1nc2ncc(C=O)cn2n1 1738810396 HGIAAVQQBXCBDO-UHFFFAOYSA-N 348.516 4.950 30 40 EJEB Cc1cc(SCc2ccccc2)n2c(nc3ccccc32)c1C#N 6465927 SMJMUHPWVKRJLI-UHFFFAOYSA-N 329.428 4.960 30 40 EJEB N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2o1 41545002 ICFDUTSEXYZPOO-ZDUSSCGKSA-N 336.416 4.648 30 40 EJEB CCOc1ccc(Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 96346052 DBHIOJJMYGKNKW-MSOLQXFVSA-N 345.402 4.960 30 40 EJEB N#Cc1ccsc1NC(=O)CCCOc1cccc2ccccc12 48367114 BOMMJGQYBUXZMZ-UHFFFAOYSA-N 336.416 4.571 30 40 EJEB C=CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 226280054 BQXKIYVBCVCFAZ-JHSHEYHPSA-N 332.528 4.697 30 40 EJEB C#CCOc1ccc(CNc2ccc(C)cc2C)cc1Br 409119839 QOEOXXLHIXCRAS-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB N#CC1(c2ccccc2)CCN(c2nc3ccc(Cl)cc3o2)CC1 1889022077 YSMMEYGSSWQMSZ-UHFFFAOYSA-N 337.810 4.543 30 40 EJEB COc1ccc(/C(C)=N/N=C(c2ccccc2)c2ccccc2)c(O)c1 4933355 BQECYNWXRJTVRJ-XQNSMLJCSA-N 344.414 4.662 30 40 EJEB C=CCn1ncc(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C 12228154 WUTRAXCCTJLVGB-OAQYLSRUSA-N 335.495 4.537 30 40 EJEB COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 33376734 FVRSBTGWPRLARO-BENRWUELSA-N 349.342 4.760 30 40 EJEB Cc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1C 44844107 YFKLFPDMSFJPRA-MDZDMXLPSA-N 330.225 4.874 30 40 EJEB O=C1C=C/C(=N\Nc2ccc(SC(F)F)cc2)c2ccccc21 107893841 ATZNTQQAJISEFD-RCCKNPSSSA-N 330.359 4.570 30 40 EJEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccccc2)c1C 408771088 DAZVOTBHNUOAEX-LPYMAVHISA-N 332.403 4.851 30 40 EJEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1 409267252 MUDZVCCNIRBMPP-KGENOOAVSA-N 334.375 4.569 30 40 EJEB CCCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 2366264 VHMPVTQPFGIJNV-UHFFFAOYSA-N 348.472 4.704 30 40 EJEB CCOP(=O)(OCC)O/N=C(\C)c1ccccc1C(F)(F)F 4963909 WTADLMTZAQZFNJ-LICLKQGHSA-N 339.250 4.627 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccccc1F 35647291 JLRKCWOVQAZULR-LDADJPATSA-N 348.402 4.871 30 40 EJEB COc1ccc(C(=O)O/N=C(/C)c2ccc3c4c(cccc24)CC3)cc1 59520222 XMYWIESPSUWIKZ-UCQKPKSFSA-N 345.398 4.528 30 40 EJEB O=C(/C=C/Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 106858064 UMSDKYCINBQVCK-AATRIKPKSA-N 336.174 4.531 30 40 EJEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\O)[C@@]4(C)CC[C@H]32)C1 245240602 QLSVFSSDFUXCHZ-YEYGUKQESA-N 345.483 4.711 30 40 EJEB biogenic,in-vitro C=CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OCC 409110649 XMSIQHWMWLAGJB-JXAWBTAJSA-N 349.430 4.557 30 40 EJEB Cc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)[nH]c(=S)c2C#N)o1 239915 BWAWIKQGOUFBLH-UHFFFAOYSA-N 349.415 4.745 30 40 EJEB COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2ccccc2)cc1 521997 AABFRIRJIYNFDQ-HXUWFJFHSA-N 346.386 4.772 30 40 EJEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 2811222 LZGXRBYBUUBPTP-FRKPEAEDSA-N 340.122 4.560 30 40 EJEB Cc1ccc(C(=O)/C=C/Nc2ccc(C)c(Br)c2)cc1 4662862 MZGUXROWTDQTIP-MDZDMXLPSA-N 330.225 4.874 30 40 EJEB CCCCCCOc1ccc(/C=N\Nc2nccs2)cc1OC 31854328 AHBSCLYFETXZJI-UYRXBGFRSA-N 333.457 4.557 30 40 EJEB CCCCCCCCCCc1nn2c(=O)c3ccccc3nc2s1 97941867 KGDFMZKRSJGYHB-UHFFFAOYSA-N 343.496 4.987 30 40 EJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1 102226877 ICVIFZCPWUNERT-CIAFOILYSA-N 330.343 4.622 30 40 EJEB O=C(C1CCCC1)N1CCS/C1=N\c1ccc(Cl)c(Cl)c1 105070589 ZRPWFVUKKZYMGM-SDXDJHTJSA-N 343.279 4.747 30 40 EJEB CC(C)(O)C#Cc1ccc(OCCCCCCCCCCCO)cc1 4616212 QCDWSSLFTOOSGQ-UHFFFAOYSA-N 346.511 4.691 30 40 EJEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1C 18196844 KECZZJRJDIGBEL-OAQYLSRUSA-N 347.414 4.597 30 40 EJEB O=C(/C=C/c1ccc2c(c1)OCO2)CCc1c(Cl)cccc1Cl 1405027 DGGGLCLFBBZWBI-GQCTYLIASA-N 349.213 4.937 30 40 EJEB C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1 408734911 LKBDNVOMZFFWAD-UHFFFAOYSA-N 338.432 4.508 30 40 EJEB COc1ccc(/C(=N\N=C(/c2ccc(OC)cc2)C2CC2)C2CC2)cc1 17289577 WJIJXVOUYCVYJC-SXAUZNKPSA-N 348.446 4.717 30 40 EJEB CCCCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 32909665 VBNBAQJOQAEKHI-UHFFFAOYSA-N 338.476 4.723 30 40 EJEB CC(=O)/C(=N/Nc1ccccc1)C(c1ccccc1)c1ccccc1 104340194 DRXXEOAQCCZXBF-GYHWCHFESA-N 328.415 4.876 30 40 EJEB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 225508170 JNOLIVIGZWPETD-INIZCTEOSA-N 336.435 4.591 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccc(C)c(C)c2)cc1 225885835 HAUAWQUTRYISID-UHFFFAOYSA-N 331.419 4.708 30 40 EJEB N#CC[C@H](c1ccccc1)[C@H](C#N)c1ccc(Br)cc1 133214 QKWZIKYUZKFVBE-IAGOWNOFSA-N 325.209 4.754 30 40 EJEB C=CCN(C(=O)c1cc2ccccc2o1)c1nc2c(s1)CCCC2 7405959 HFBNOXRESBPBHJ-UHFFFAOYSA-N 338.432 4.601 30 40 EJEB N#Cc1c2c(c(-c3ccc(F)cc3F)n3c1nc1ccccc13)CCC2 12970495 RUEAMIARVIULGZ-UHFFFAOYSA-N 345.352 4.793 30 40 EJEB CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 39557382 LEOSDOOFFWAIMR-ZAXZPUGQSA-N 325.408 4.803 30 40 EJEB OC1=NC(=N\c2ccc(F)c(Cl)c2)/C(=C\c2cccnc2)S1 95474377 WIQJULFPQOMGNE-AWNIVKPZSA-N 333.775 4.606 30 40 EJEB O=C1Nc2cc(Cl)ccc2N/C1=C/C(=O)c1cccc2ccccc12 104238751 HMQHMUNOXCYSCR-WOJGMQOQSA-N 348.789 4.624 30 40 EJEB Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)oc2ccccc12 510418 PAUYSWNJJJLPMP-UHFFFAOYSA-N 336.416 4.806 30 40 EJEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-c1ccccc1 3445294 WIJFKDICSPPLGN-INIZCTEOSA-N 342.398 4.631 30 40 EJEB Cc1cccc(NC(=O)c2ccccc2NC2=CC(=O)CC(C)(C)C2)c1 12568311 JLUJIMJQLHOURX-UHFFFAOYSA-N 348.446 4.932 30 40 EJEB O/N=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327483 MCMKAQZIQNZKIW-UBKPWBPPSA-N 334.091 4.536 30 40 EJEB CN1C(=O)/C(=N\c2ccc(Oc3ccccc3)cc2)c2ccccc21 100260107 MMRDSTVCJDLTGG-XDOYNYLZSA-N 328.371 4.576 30 40 EJEB O=C1Nc2cc(Cl)ccc2N/C1=C/C(=O)c1ccc2ccccc2c1 104238776 HQLUPMGGWIMVPR-WOJGMQOQSA-N 348.789 4.624 30 40 EJEB C#Cc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 95626606 OABJBZPYRGPIPZ-GIJQJNRQSA-N 334.600 4.540 30 40 EJEB C=CCSc1ccccc1C(=O)NCCCc1ccccc1Cl 219811305 INJDVLJPQFBCHG-UHFFFAOYSA-N 345.895 4.981 30 40 EJEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(N(C)C)cc3)nc1-2 409059169 USIUUFYMRDCXMF-MTJSOVHGSA-N 349.459 4.540 30 40 EJEB Cc1ccc(C)c(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 8368224 RARUJGJXXKOYSU-UCQKPKSFSA-N 345.446 4.856 30 40 EJEB CCc1nc(SCc2ccc(OC)cc2)c(C#N)c2c1CCCC2 19074854 YLQUZLBTZRZQNS-UHFFFAOYSA-N 338.476 4.695 30 40 EJEB C#CCOc1ccc(Br)cc1CNc1ccc(CC)cc1 41641099 ADNAXEDYJNMEEE-UHFFFAOYSA-N 344.252 4.636 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366254 XZNGOEFIQGQWSR-VMNLRQAFSA-N 326.480 4.890 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(C)cc2Br)o1 226256613 ZZIMZYSTUCKJPT-RMKNXTFCSA-N 347.208 4.760 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1 408722134 FDPKLWMJBJXTRO-YBFXNURJSA-N 335.388 4.568 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/c2ccc(Br)c(Cl)c2)s1 65066 BGRXFMDYTJSNTG-MKMNVTDBSA-N 345.605 4.823 30 40 EJEB Cc1sc2ncnc(N/N=C/c3c(F)cccc3Cl)c2c1C 4680301 HKWBPJRWTSWWBY-CGOBSMCZSA-N 334.807 4.547 30 40 EJEB COc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1 12861400 PWWFVJJYHOBKPL-NDENLUEZSA-N 336.387 4.656 30 40 EJEB biogenic Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116793 NTWWIUVADFGWAI-CIAFOILYSA-N 337.354 4.892 30 40 EJEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225803044 BITQCNZGEAVGEA-QRWLVFNGSA-N 346.471 4.659 30 40 EJEB CCc1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1 408849180 YEFRVENFMXLYNL-XDHOZWIPSA-N 347.256 4.955 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C#N)C1 259143 VDSSECVKYZWMNM-LHXVZLOVSA-N 340.423 4.536 30 40 EJEB N#Cc1ccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 2618580 AYJKSCZXVOIUKK-UHFFFAOYSA-N 331.346 4.507 30 40 EJEB COc1ccc(/C(C)=N/c2sc3c(c2C#N)CCCC3)cc1OC 4567466 VNPORDOLVJYVGX-CIAFOILYSA-N 340.448 4.656 30 40 EJEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 4740353 QWCAUALQACXDDZ-UAHNYKDTSA-N 348.446 4.839 30 40 EJEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3sccc3C)S2)c1 408994891 HNTXXANSNATBLL-DHDCSXOGSA-N 328.462 4.565 30 40 EJEB CCCC[C@@H](OC(=O)C(F)(F)F)C1=C(Cl)CC(C)(C)CC1=O 5246455 UZNGOXVPSKQRLD-LLVKDONJSA-N 340.769 4.533 30 40 EJEB CN(C)CC/C(=N\Nc1ccc(Cl)cc1Cl)c1ccccc1 5888797 JUHKWJCSFMIMJW-CAPFRKAQSA-N 336.266 4.761 30 40 EJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OCCC#N)[C@]3(C)CC[C@@H]21 6266799 SKZOMAZQGJCCKH-KNOXWWKRSA-N 339.479 4.850 30 40 EJEB C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]21 33734524 KDWOWEXNJPDUKG-KNOXWWKRSA-N 326.480 4.859 30 40 EJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1 40287922 USKNSFHMPWADAA-HNNXBMFYSA-N 331.400 4.805 30 40 EJEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)sc1C 41559350 YTVHKRYTZNPRQG-NSHDSACASA-N 345.374 4.600 30 40 EJEB CCOc1ccc(-c2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 408595761 NSBVORKAHTYQRE-OEAKJJBVSA-N 346.386 4.768 30 40 EJEB S=c1[nH]nc(-c2cccc(Cl)c2)n1/N=C/c1cccc(Cl)c1 3337267 CVYIAXGULLROHO-GIJQJNRQSA-N 349.246 4.797 30 40 EJEB Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1 6189516 PWMRNSUIEGIOQD-HYARGMPZSA-N 344.370 4.885 30 40 EJEB N#Cc1cccc(CNCCC(c2ccccc2)c2ccccc2)c1 11035279 BKZHKKOVBUTDEC-UHFFFAOYSA-N 326.443 4.870 30 40 EJEB CCC/C(=N\OCC)C1=C(OC)C[C@H](C[C@H](C)SCC)CC1=O 16611454 MLOOJBXIFOAJIX-VUQXOKLWSA-N 341.517 4.590 30 40 EJEB CC(=O)/C(=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 36056587 FDAUAWCWYPKAFJ-IBWFPSCZSA-N 328.452 4.663 30 40 EJEB CC1=C(/C=C/[C@](C)(O)CC#C[C@@]2(C)C=COCCO2)C(C)(C)CCC1 95611848 FOOIMBDCRKVYBU-XDDVZZINSA-N 344.495 4.533 30 40 EJEB O=C(/C=C(/Nc1ccccc1)c1ccc(Cl)cc1)C(F)(F)F 103843306 MDAZDCQKIDHFBR-GXDHUFHOSA-N 325.717 4.924 30 40 EJEB C=CCOC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 216800654 LVUCEUPDWGQALZ-UHFFFAOYSA-N 337.202 4.915 30 40 EJEB Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccccc2Cl)c1 225881261 VUZLYLSTQDOKFB-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB C#CCOc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409057110 PBDMFQUWBRQPQO-VXLYETTFSA-N 349.173 4.664 30 40 EJEB C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 2627528 AFIGLVRBXBIEJX-UHFFFAOYSA-N 337.448 4.611 30 40 EJEB CC(C)c1ccc(-c2c(C#N)c(SCC#N)nc3c2CCC3)cc1 4619415 PFQNHEXMOLTHTB-UHFFFAOYSA-N 333.460 4.848 30 40 EJEB N#Cc1ccc([N+](=O)[O-])cc1Oc1ccc(OCc2ccccc2)cc1 6603796 KJZAOEOIJMKXEZ-UHFFFAOYSA-N 346.342 4.838 30 40 EJEB CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(F)cc1)c1ccccc1-2 22243287 VYXKCTVLODINGA-DARPEHSRSA-N 330.362 4.934 30 40 EJEB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC#N)nnc1-c1cccs1 103985429 ALSGGNUKGLWMQE-ZOBORPQBSA-N 344.509 4.619 30 40 EJEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 408774593 POQOZHVXAKTVIY-MTJSOVHGSA-N 337.354 4.892 30 40 EJEB CCN1C(=O)/C(=C\c2ccc(C)s2)S/C1=N/c1ccc(F)cc1 409242761 SXWVOYXJOYRLRO-RDNNIZOPSA-N 346.452 4.820 30 40 EJEB COc1ccc(O)c(C(=O)/C=C/c2oc3ccccc3c2Cl)c1 4771937 GEVNAILITVNQMW-CMDGGOBGSA-N 328.751 4.697 30 40 EJEB CN(C)/C=N/c1sc2cc(-c3ccc(C#N)cc3)sc2c1C#N 16163046 KDUCVDPBGIOQGV-KEBDBYFISA-N 336.445 4.595 30 40 EJEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc2ccccc2c1 33719095 FWWDWAPQJNVEJP-KTYUDDGUSA-N 331.444 4.718 30 40 EJEB CC/C(C)=N\Nc1nc2cc(C)c(Br)c(C)c2s1 45888631 LYLDBBDNYAUCBF-PXNMLYILSA-N 326.263 4.873 30 40 EJEB Cc1ccc(NC(=O)CCCC(=O)[C@H](C#N)c2ccccc2C)cc1C 1613971 HXCRZHJLLYYKGT-HXUWFJFHSA-N 348.446 4.597 30 40 EJEB C=CCn1c2ccccc2n2cc(C34CC5CC(CC(C5)C3)C4)nc12 6996332 YQEKZGKAGLOHON-UHFFFAOYSA-N 331.463 4.943 30 40 EJEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc(C)c(C)c3)c2C)cc1 409001461 WBLVFOTUYAHEPO-XKZIYDEJSA-N 332.451 4.860 30 40 EJEB O=C1C(Cl)=C(Nc2cccc3ccccc23)C(=O)c2ccccc21 1672441 CPGLXBCSUIAYRO-UHFFFAOYSA-N 333.774 4.781 30 40 EJEB C=CCc1ccc(OC(=O)Nc2ccc(C)cc2Cl)c(OC)c1 1741585 ZDGVWUZGLNBFPI-UHFFFAOYSA-N 331.799 4.996 30 40 EJEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)-c1ccccc1C2 6566083 LVNNPHIIEAHZJM-WEVVVXLNSA-N 340.378 4.883 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1C 12032549 NRKAWOXIRZOACJ-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CC(C)c1ncc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)s1 91208627 JPCYDOZFFDMWSU-UHFFFAOYSA-N 333.482 4.749 30 40 EJEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(C#N)CCC2)cc1Cl 96411996 CFLKKWRARCTPLT-QGZVFWFLSA-N 349.821 4.628 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/c3cc([N+](=O)[O-])ccc3O)c2C)c1 408761445 KHRFMABPLFELFS-CIAFOILYSA-N 349.390 4.767 30 40 EJEB Clc1ccc(/C=N\c2ccc(I)cc2)s1 408966369 MFXRRLAMCSENHV-AUWJEWJLSA-N 347.608 4.757 30 40 EJEB COc1ccc(/C(C)=N/Nc2ccc(Cl)c(Cl)c2)cc1OC 5163117 LEVBEJPMFQHJPB-VXLYETTFSA-N 339.222 4.847 30 40 EJEB N#Cc1ccc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1 40287923 USKNSFHMPWADAA-OAHLLOKOSA-N 331.400 4.805 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)c1 408764456 ISUFZLQINWHWIK-FYJGNVAPSA-N 348.406 4.757 30 40 EJEB COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2ccccc2)cc1 521996 AABFRIRJIYNFDQ-FQEVSTJZSA-N 346.386 4.772 30 40 EJEB Clc1cc(Cl)c(N/N=C/c2ccc3c(c2)OCO3)c(Cl)c1 5504570 ULTGDRXDWJJGOV-NGYBGAFCSA-N 343.597 4.822 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1 20460551 UKQIXGCBIKHRKZ-HXUWFJFHSA-N 339.435 4.664 30 40 EJEB CCCCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 105345075 OADQBIWTNOSBRF-UHFFFAOYSA-N 329.440 4.793 30 40 EJEB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccnc1 11286064 PXXLUGMWONAQMH-VQHVLOKHSA-N 336.372 4.614 30 40 EJEB CCc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 14115555 VKZCPNRIIJZRAP-UHFFFAOYSA-N 325.411 4.901 30 40 EJEB CCCCCCCCCCc1c(C)nn(-c2nc(C)cc(C)n2)c1O 100129974 YONODSMCWURIII-UHFFFAOYSA-N 344.503 4.976 30 40 EJEB N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1ccccc1Cl 225882930 CSQYVIPSYXKZAQ-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc(F)c1 409052140 GORAIZXONZASPW-FXBPSFAMSA-N 339.391 4.691 30 40 EJEB CC(=O)N(c1cc(Cl)ccc1Cl)c1nc(C)cc(C)c1C#N 241024 XRWXZCWDHZANEL-UHFFFAOYSA-N 334.206 4.562 30 40 EJEB CC(C)(CCC#N)c1nc2sc(C(C)(C)CCC#N)nc2s1 1666412 WNGYDTQZWXGHTI-UHFFFAOYSA-N 332.498 4.916 30 40 EJEB Cc1cc(N/N=C/c2ccc(OC(F)F)cc2)nc2ccccc12 4746583 RUPASELBEUFIOL-SRZZPIQSSA-N 327.334 4.591 30 40 EJEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(C)C 5481889 IFPYIMFIWXNHEF-WOJGMQOQSA-N 326.417 4.812 30 40 EJEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc2ccccc12 5551526 JCPKVJOOQZTOQJ-LDADJPATSA-N 348.402 4.871 30 40 EJEB C=CCSc1nc(Oc2ccc(OC)cc2)c2sccc2n1 5917512 BRULUCGOBUEOFO-UHFFFAOYSA-N 330.434 4.770 30 40 EJEB Cc1cc2c(cc1C(=O)C[n+]1ccccc1)C(C)(C)C[C@H](C)C2(C)C 72334044 GXORLJPEESVDAA-KRWDZBQOSA-N 336.499 4.760 30 40 EJEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225802980 BITQCNZGEAVGEA-MGPUTAFESA-N 346.471 4.659 30 40 EJEB COc1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1Cl 409221791 VFBFSIQAMSRZBK-WSDLNYQXSA-N 339.826 4.902 30 40 EJEB CCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 2207089 ZVKVRIBSGVOVKQ-XDJHFCHBSA-N 335.403 4.600 30 40 EJEB C[C@H](CCc1ccccc1)/N=C/c1cc(Br)ccc1O 57411986 VXWUWJISOQDRAP-KZKLBEMASA-N 332.241 4.595 30 40 EJEB S=C(NCc1ccccc1)N/N=C1/CCCC[C@H]1C1CCCCC1 103458621 ZUHGTTMPXIBJHE-HBNHWDEFSA-N 343.540 4.777 30 40 EJEB CCOC(=O)c1cccc(/N=C/c2ccc(N3CCCC3)c(C)c2)c1 408846905 KOKIKMWFCBSXFK-PXLXIMEGSA-N 336.435 4.523 30 40 EJEB CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccc(F)cc1 409245220 PGGBEJOQLXBRSO-WVTXTPTHSA-N 332.425 4.511 30 40 EJEB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1 606422453 KWNHDVDTRAUJSK-DEDYPNTBSA-N 337.448 4.850 30 40 EJEB COC(=O)c1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1 90229 DJVWCVMXTNWBED-WSDLNYQXSA-N 349.386 4.554 30 40 EJEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(Cl)cc1Cl 3190020 FCDCOBDXHPEONB-LLVKDONJSA-N 339.218 4.667 30 40 EJEB C=CCNc1nc(SCC)nc2c1sc1nc(C)cc(C)c12 5655008 MKQWWLDAVDAVLT-UHFFFAOYSA-N 330.482 4.566 30 40 EJEB CSC1=N/C(=N\C2CCCCC2)C2(C3CC4CC(C3)CC2C4)N1C 35178567 MDATXNCOHWQGIE-UZYVYHOESA-N 345.556 4.577 30 40 EJEB N#Cc1ccc(Cl)c(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 88227618 KMKVXSBVOFEPGD-UHFFFAOYSA-N 342.185 4.666 30 40 EJEB C/C(N[C@@H](C)[C@@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749051 FTBDZFXCBOAPHD-CJILUGRRSA-N 327.512 4.556 30 40 EJEB CCCCCCCCCC[C@@H](O)CN1CCN(c2ccccc2)CC1 104063963 ABQCBBABOZFXTG-JOCHJYFZSA-N 346.559 4.700 30 40 EJEB C=C(C(=O)O)[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@]2(C)CCCC(=C)[C@H]2C1 253389117 QVSFEOQJKPOOHP-NDMKSSLKSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro CCCCCCC(/C=N\Nc1nc(=O)cc(C)[nH]1)=C/c1ccccc1 31667497 KHNIKCNDILKBAA-DFCWUNANSA-N 338.455 4.530 30 40 EJEB Cc1cccc(-n2cnc(Cl)c2/C=N/Nc2ccc(Cl)cc2)c1 36390462 MZSJZXIZUBMGQE-UFFVCSGVSA-N 345.233 4.934 30 40 EJEB CCOc1cccc(/C=N/c2ccc(Br)c(C)c2)c1O 44836047 FHYIXUVZXWQVRQ-VCHYOVAHSA-N 334.213 4.612 30 40 EJEB CCCC[C@@H](C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 102975557 HPKJXIBDZUYNRE-CYBMUJFWSA-N 348.483 4.568 30 40 EJEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=N/O)[C@@]4(C)CC[C@@H]32)C1 118918584 MAIMKJVHBJVMBS-CKIKJTMLSA-N 347.499 4.791 30 40 EJEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4683862 SOMOGWLYTLQJGT-XMUHMHRVSA-N 336.903 4.836 30 40 EJEB biogenic,in-vitro Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 4739375 IGUIOSAHSWBTMI-FYJGNVAPSA-N 348.406 4.757 30 40 EJEB C=CCO/N=C\c1cc(NC(=S)c2ccoc2C)ccc1Cl 5824111 DJSIDTVOVQBTCC-ZDLGFXPLSA-N 334.828 4.566 30 40 EJEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1 6396834 DOHLOBDCARNDAP-UDWIEESQSA-N 330.815 4.925 30 40 EJEB COC(=O)c1cc(/N=C/c2cccn2-c2ccccc2)ccc1Cl 59248905 YEAKQUOETASXJD-FYJGNVAPSA-N 338.794 4.668 30 40 EJEB Cc1ccccc1/N=C\c1cc(C)n(NC(=O)c2ccccc2)c1C 409215829 BMWKLEUXRFUWBI-HMAPJEAMSA-N 331.419 4.548 30 40 EJEB CCN(CC)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 95947 RLWNZFYCLNHEHS-XDHOZWIPSA-N 331.803 4.845 30 40 EJEB Cc1cc(C)nc(/N=C(/N)Nc2ccc(/N=N/c3ccccc3)cc2)n1 13054963 HLAUONMJYBUNIK-OCEACIFDSA-N 345.410 4.567 30 40 EJEB C/C(=N\N=C\c1ccc(Cl)cc1Cl)c1cnc2ccccc2n1 16136761 ABIMFNXEAHACTB-OXBPXNGGSA-N 343.217 4.780 30 40 EJEB Cc1cccc(OCCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 3287163 ACDNTPZZCWZHRY-QNGOZBTKSA-N 335.447 4.645 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)c1 6315314 IQNFCWGFUPPATF-LPYMAVHISA-N 343.434 4.725 30 40 EJEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccs3)nc1-2 59459306 ASDRMKXAVUXRFE-VCHYOVAHSA-N 326.446 4.729 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@@]21C 77302145 PGAUJQOPTMSERF-CDSHGXNMSA-N 344.495 4.696 30 40 EJEB in-vitro C=CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934965 DFRQHISHXQPKMU-VEYVBMQYSA-N 328.496 4.826 30 40 EJEB CC(C)COc1ccccc1/C=N/Nc1ccc(Br)cc1 408599905 OAYQPDBZQHFQIK-YBFXNURJSA-N 347.256 4.930 30 40 EJEB CCCCOc1ccc2ccccc2c1/C=N\Nc1nc(C)cc(C)n1 409018681 ICMNGLSSPTXERI-HMAPJEAMSA-N 348.450 4.872 30 40 EJEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccccc2)c1O)CCCC3 4833638 KCJZAOHCEQIOLL-RGVLZGJSSA-N 336.347 4.676 30 40 EJEB COc1ccc(Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 5330061 CYROMSJNIZDWGX-UHFFFAOYSA-N 328.586 4.666 30 40 EJEB CCn1nccc1C(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 6490114 MVYSVNPFFRPQEQ-SOFGYWHQSA-N 326.783 4.713 30 40 EJEB Cn1cccc1[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 14198606 ARRRGEDQKDXFEV-HSZRJFAPSA-N 341.458 4.901 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(F)c(F)c2)cc1 51318540 VOAPDQAQTYGTJI-ZHACJKMWSA-N 331.362 4.952 30 40 EJEB FC(F)=C(F)O[C@@](F)(C(F)(F)F)C(F)(F)C(F)=C(F)F 59229120 CQFRQNIHJCTFRW-ZCFIWIBFSA-N 328.052 4.979 30 40 EJEB CCCCCCCCc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3 100057680 YJJSTPSFBSADRO-UHFFFAOYSA-N 348.512 4.739 30 40 EJEB CCCCCCCCCCn1c(=O)c2c(O)n[nH]c2c2ccccc21 2335074 JDLQCEMUANESRF-UHFFFAOYSA-N 341.455 4.724 30 40 EJEB O=C(Oc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 4947853 PWFZQXVBUOBABU-KGENOOAVSA-N 346.342 4.565 30 40 EJEB CCc1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1 409097442 GRLDHHFFAHAHFU-ZHACJKMWSA-N 330.225 4.820 30 40 EJEB CC(C)(C)C(=O)/C=C1\Nc2ccccc2N\C1=C/C(=O)C(C)(C)C 4638866 HUMLFMNDECZUCY-NFLUSIDLSA-N 326.440 4.522 30 40 EJEB CN1C/C(=C/C=C\c2ccccc2)C(=O)/C(=C\C=C/c2ccccc2)C1 31841018 UZMNXCUMVFUXQA-QOUNVEMSSA-N 341.454 4.781 30 40 EJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccccc2)c1C 408913149 LFOIYAVLRQLZGJ-LPYMAVHISA-N 332.403 4.851 30 40 EJEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@@H]3CC[C@@]21CC 1616083826 YJGGGFXBWMZHMQ-QASJRYCWSA-N 340.507 4.844 30 40 EJEB Cc1cc(/C=N/N=c2/[nH]c3ccccc3s2)c(C)n1-c1ccccc1 1859171 RFXUWLMJRNKRDW-FYJGNVAPSA-N 346.459 4.572 30 40 EJEB O=C(O)COc1ccc(/C=N/c2ccc3ccccc3c2)cc1Cl 4740756 SNDKKJAOAQHXIW-SRZZPIQSSA-N 339.778 4.707 30 40 EJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccccc1O 5250341 MLGHDFWSMQXUHE-UHFFFAOYSA-N 342.402 4.679 30 40 EJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(C(F)(F)F)cc1 5600693 GZMGONLJBJVSBZ-GXDHUFHOSA-N 348.349 4.597 30 40 EJEB C#CCOc1ccc(Br)cc1CNc1ccccc1CC 41641109 NFXHXZLPBAMJAE-UHFFFAOYSA-N 344.252 4.636 30 40 EJEB O=C(/C=C/Nc1cc(F)cc(F)c1)c1ccc(Br)cc1 44974954 DXWHYOSFZOGQKV-AATRIKPKSA-N 338.151 4.536 30 40 EJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(O)cc2)cc1OC 409380586 NYEFSNRDCAFCSP-ZICWZVMQSA-N 333.815 4.982 30 40 EJEB CCCCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 4675100 PLTJMTCDMJOOIE-UHFFFAOYSA-N 332.451 4.840 30 40 EJEB O=C1C=C(c2ccccc2)C[C@@H](c2ccc(Br)cc2)C1 4784190 SORBLNXFXQCLRW-MRXNPFEDSA-N 327.221 4.979 30 40 EJEB O=C1C[C@H](Nc2ccccc2Cl)C=C1Nc1ccccc1Cl 6222460 YBMNEESEEZMDIK-LLVKDONJSA-N 333.218 4.743 30 40 EJEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2ccccc2c1 6549284 QUULHXDVNHVANC-ZHACJKMWSA-N 348.398 4.762 30 40 EJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 20672606 WDKQILNZDKWWPA-SFHVURJKSA-N 337.810 4.568 30 40 EJEB O=C(c1cc(F)c(Cl)c(F)c1)C(F)(F)C(F)(F)C(F)(F)F 575357562 LEJAHPIUBZHMTD-UHFFFAOYSA-N 344.560 4.634 30 40 EJEB N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2 36263 UOSYEEVWBJAFMK-UHFFFAOYSA-N 337.231 4.668 30 40 EJEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCCC[C@@H]2c2ccccc2)cc1 1715758 HEMYTSVHMYKVRD-WOJBJXKFSA-N 344.476 4.817 30 40 EJEB S=C(Nc1ccccc1)N(/N=C/c1ccccc1)c1ccccc1 5799764 OCAWUMSKRAFUCZ-LTGZKZEYSA-N 331.444 4.924 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2ccccc2CC)cc1OC 409113632 FACJZXFYWUZSCH-UHFFFAOYSA-N 335.447 4.610 30 40 EJEB C=CCc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)c1O 64193 WVOOSSNANDPDCQ-UMYHVIPVSA-N 336.460 4.929 30 40 EJEB CCn1c2ccccc2c2cc(/C=N/NC3=NCCCCC3)ccc21 3178771 MEEZXZYIUFRUAA-HZHRSRAPSA-N 332.451 4.710 30 40 EJEB N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(Cl)cc1 4052769 UQCMPPQPTWAOPK-UHFFFAOYSA-N 328.746 4.918 30 40 EJEB C#CCOc1ccc(CNc2cc(Cl)ccc2C)cc1OCC 4681511 IHRLITKVTIDNRK-UHFFFAOYSA-N 329.827 4.671 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc2ccccc2c1 16607426 GYANXLOWLMLQSB-ISXGRJCASA-N 327.387 4.581 30 40 EJEB O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 34864579 AHBRXMCKSKIXSD-ORCRQEGFSA-N 338.146 4.503 30 40 EJEB CC1=CC(=O)[C@]2(C)C(c3ccccc3)=C(Cc3ccccc3)N(C)[C@@H]2C1 90373734 AYHWOFRGVYNNHK-ZJSXRUAMSA-N 343.470 4.880 30 40 EJEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116893 OEFAZBFOWIOWRO-KGENOOAVSA-N 333.391 4.621 30 40 EJEB CN(c1ccccc1)c1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1 4869437 ZJPOOZJQUWSFMX-RCCKNPSSSA-N 346.390 4.809 30 40 EJEB CCC/C(=N\OCC)C1=C(OC)C[C@H](C[C@@H](C)SCC)CC1=O 16611450 MLOOJBXIFOAJIX-BGRSTHORSA-N 341.517 4.590 30 40 EJEB COc1cc(/C=N\c2ccccc2)ccc1OC(=O)c1ccccc1 104160509 PYASYLLHLPINAE-JCMHNJIXSA-N 331.371 4.665 30 40 EJEB COc1cccc(C(=O)/C=C(\C)Nc2cccc(C(F)(F)F)c2)c1 107567664 LONBFWHKTNXMMM-FMIVXFBMSA-N 335.325 4.913 30 40 EJEB COc1ccccc1/C=N/c1nc2ccc(Br)cc2s1 50184 QPZKATOKJZRFHZ-RQZCQDPDSA-N 347.237 4.818 30 40 EJEB Cc1ccc(C)c(NC(=S)N/N=C/c2ccc(C(C)(C)C)cc2)c1 3266272 PSEOBEMUTRQOHS-FYJGNVAPSA-N 339.508 4.921 30 40 EJEB CCCOc1ccc(/C=N/NCc2ccccc2Cl)cc1OCC 8811893 SMRIGMVVLNKCBQ-FYJGNVAPSA-N 346.858 4.651 30 40 EJEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(C)cc1 16711331 ILOUPJVQWYHMHV-MRCUWXFGSA-N 336.460 4.952 30 40 EJEB O=C(O)c1ccc(N/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 33303865 KNMTVKCEJYQPMQ-PFONDFGASA-N 343.382 4.860 30 40 EJEB N#Cc1cc2c(nc1SCc1ccc(Cl)nc1)CCCCC2 377642 BIBYFDRCNOOEIM-UHFFFAOYSA-N 329.856 4.563 30 40 EJEB CCCC/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1CCCC 5552221 BTXVSNQIJCCUAA-ISRZJSKBSA-N 334.460 4.698 30 40 EJEB C=CCN(C(=S)Nc1ccc2nc(C)c(C)nc2c1)c1ccccc1 6626102 RNZTVAHJYOLGGK-UHFFFAOYSA-N 348.475 4.636 30 40 EJEB CCCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OC 17136173 ICTNZPATGWHEJL-PDGQHHTCSA-N 326.417 4.814 30 40 EJEB COc1ccc2c(c1)CCC/C2=N/OCc1cccc2cccnc12 89467183 HFUNGLBZGCHRNR-ATJXCDBQSA-N 332.403 4.501 30 40 EJEB C=C[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@H]1[C@H]2C 100742792 HQCWLYGJDWRLIV-HGNHLGAKSA-N 341.451 4.655 30 40 EJEB biogenic C=CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 216895570 VYTIANVICOENLS-DHZHZOJOSA-N 328.795 4.661 30 40 EJEB CC(C)COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 408601959 MJVPKJCNCRYIGW-YBFXNURJSA-N 325.437 4.777 30 40 EJEB Fc1cc(/C=N\c2ccccc2Br)ccc1N1CCCC1 409070041 ZIGMDHLYLVZSME-NDENLUEZSA-N 347.231 4.939 30 40 EJEB C=C[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846402 DSDGITVLZKIPAY-QXCFHYIPSA-N 328.452 4.676 30 40 EJEB biogenic Clc1cccc(/N=C/c2ccccc2I)c1 408552712 UVAXFFSLEKPXLA-CXUHLZMHSA-N 341.579 4.695 30 40 EJEB Cc1c(C(=O)c2c(F)cccc2Cl)c2ccccn2c1CCC#N 6848408 SZLHXLMSBLRUAP-UHFFFAOYSA-N 340.785 4.727 30 40 EJEB CCCCCCCNC1=CC(=O)C[C@@H](c2ccc(OC)c(OC)c2)C1 8410281 QIPGYAQKFPWBOT-KRWDZBQOSA-N 345.483 4.594 30 40 EJEB N#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 14801919 RFZTYHWTWJPGFM-UHFFFAOYSA-N 339.354 4.619 30 40 EJEB O=C1/C(=C\c2cccs2)CN(CC2CC2)C/C1=C\c1cccs1 58175788 IGZITWLXLJDRFB-CKOAPEAFSA-N 341.501 4.571 30 40 EJEB O=C(/C=C(/Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1 100601285 LPGATJZHJUTVAG-CAPFRKAQSA-N 327.383 4.748 30 40 EJEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 229884706 SHVMYTQKYXOYAT-OPYAIIAOSA-N 347.414 4.776 30 40 EJEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1 409188792 GHKCDUWVRVOWOW-LPYMAVHISA-N 339.435 4.891 30 40 EJEB CC(C)(C)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357859 XLGOOHPVRXNWIS-UHFFFAOYSA-N 330.243 5.000 30 40 EJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(C)c1 2450059 CXEOVPWCKKZGCP-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(F)cc3)n2)cc1 13408189 DUQNEMYPXLBPPY-KQWNVCNZSA-N 336.395 4.597 30 40 EJEB N#Cc1ccc2[nH]cc(-c3cnc4cc(Cl)c(Cl)cc4n3)c2c1 77024316 GPHKVSJXWVCCLL-UHFFFAOYSA-N 339.185 4.957 30 40 EJEB COc1cc(Br)cc(/C=N\c2ccccc2Cl)c1O 100318808 ZMLMMJMBSRGDFM-IUXPMGMMSA-N 340.604 4.567 30 40 EJEB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C#N 225840938 DTCMTKPXOHJQLF-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1cccc2ccccc12 409178637 HELILHPYWIVTNE-VAWYXSNFSA-N 348.358 4.565 30 40 EJEB CCC(C#N)(CC)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 528140642 QUBBBXKZKKGMOQ-UHFFFAOYSA-N 331.416 4.526 30 40 EJEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 575243018 OCFRLVHJIDMJOB-UHFFFAOYSA-N 344.198 4.707 30 40 EJEB Cc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O 4181463 DGFMQJFIJQQQER-YDZHTSKRSA-N 348.377 4.843 30 40 EJEB CCN(CC)c1ncc(/C=N/Nc2ccc(Cl)c(Cl)c2)s1 8341609 ZQXAYUHIXQZBMM-GIJQJNRQSA-N 343.283 4.742 30 40 EJEB Cc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 8371847 YZTYGFGGCCFQTH-HYARGMPZSA-N 331.419 4.548 30 40 EJEB O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)c1cccnc1 32853591 BJCSIMBXKTVUDO-FMIVXFBMSA-N 333.362 4.696 30 40 EJEB C=CCOc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 59444461 ASCIORDWQMYZRF-MDZDMXLPSA-N 343.220 4.910 30 40 EJEB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C#N 225819227 HMJSVOQOBJJDNW-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB C[C@@H](C#N)Sc1nn(-c2ccc(Cl)c(Cl)c2)c(=S)s1 2635955 UHDVUANCZBPMIB-LURJTMIESA-N 348.305 4.974 30 40 EJEB O=C1C=C(c2ccccc2)O[C@]1(Nc1ccccc1)c1ccccc1 5488375 YFIWOVCGFYKTLU-JOCHJYFZSA-N 327.383 4.592 30 40 EJEB C/C(=N\N=C(/C)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O 6373583 NXRQFPUBDRLZNI-LQGKIZFRSA-N 337.206 4.638 30 40 EJEB COc1ccc(/C(C)=N/N(Cc2ccccc2)c2ccccc2)c(O)c1 6691221 BZMOLYVCNYPVNB-HAVVHWLPSA-N 346.430 4.832 30 40 EJEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OC 6959084 MBRKOLNGFXPPDL-YBFXNURJSA-N 348.240 4.915 30 40 EJEB N#CCc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 15028874 LFGBGPHEOHPCAM-UHFFFAOYSA-N 326.399 4.601 30 40 EJEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1cnc2ccccc2n1 16137219 VREQKRNHJYOANA-YDZHTSKRSA-N 345.431 4.589 30 40 EJEB CC1(C)[C@@H]2CC/C(=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@]1(C)CC2 100363461 QBXNDHCLWAAXCS-YBYFVIIMSA-N 346.387 4.507 30 40 EJEB CC(C)Oc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1 408910149 JHOMRXVEAROJCW-BKUYFWCQSA-N 349.390 4.981 30 40 EJEB O=C(C=C(c1ccccc1)c1ccccc1)CC(=O)c1ccccc1 4705801 FNRLWUWXUYMMSE-UHFFFAOYSA-N 326.395 4.960 30 40 EJEB COc1ccccc1-n1c(-c2ccccc2)cnc1SCCCC#N 5174866 UEYIDXOQXMWBPU-UHFFFAOYSA-N 349.459 4.944 30 40 EJEB CCN/N=C1\CC(C)(C)Cc2nc(CC)c3c([nH]c4ccccc43)c21 12653071 MQMWYMSKSPEMMK-KOEQRZSOSA-N 334.467 4.565 30 40 EJEB biogenic CCCCCCCCCCCc1nnc(S)n1C[C@H]1CCCO1 97941859 PBOHETZHRDKLRK-MRXNPFEDSA-N 339.549 4.819 30 40 EJEB C=CCOC(=O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 216896215 YSNJZRGCJNCKBP-RMKNXTFCSA-N 346.785 4.801 30 40 EJEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)cc1 219815810 XUGAADKFTSWKAG-GOSISDBHSA-N 341.476 4.854 30 40 EJEB COc1cc(Br)c(/C=N/c2cccc(C)c2C)cc1OC 409211554 OGWWTXMFKCKKNR-VXLYETTFSA-N 348.240 4.834 30 40 EJEB COC(=O)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2O)cc1 3033578 HRACOVMOLJGYST-HYARGMPZSA-N 331.371 4.596 30 40 EJEB COC(=O)N=C(Nc1c(C)cc(C)cc1C)C(Cl)(Cl)Cl 3074230 RKLPBWBDXLKPBJ-UHFFFAOYSA-N 337.634 4.559 30 40 EJEB C=C(C)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 3183910 MWRWLJQUGRQXPU-UHFFFAOYSA-N 327.236 4.555 30 40 EJEB Cc1cc(C)c2c(c1)/C(=N/NC(=S)Nc1ccccc1C)CCC2 4871762 UHZSCDKUZXBLKC-ZBJSNUHESA-N 337.492 4.639 30 40 EJEB N#C/C(=N\Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 12376648 MJEURDDFVXDTCA-PXLXIMEGSA-N 338.823 4.803 30 40 EJEB Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccccc1Cl 225879484 GOCGVLQUJCEBJV-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB CC(C)(C)[C@H]1C/C(=C/c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 245226314 QHULEUBLJXAJBQ-OUFAVVDRSA-N 332.447 4.969 30 40 EJEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc(F)cc1 44901 KTNQLPWGDQCSRJ-UHFFFAOYSA-N 348.402 4.734 30 40 EJEB O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1cccnc1 7739815 BEBXJHSNAWWISX-BQYQJAHWSA-N 326.808 4.755 30 40 EJEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(Br)cc1 12465898 AXKVCZQAPUDTRE-VCHYOVAHSA-N 346.253 4.895 30 40 EJEB Oc1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2ccccn12 100932929 DCMFCTNUVTZPFK-RGVLZGJSSA-N 337.766 4.704 30 40 EJEB CCOC(=O)c1ccc(N/C(C)=C\C(=O)c2ccc(Cl)cc2)cc1 103277522 SBSQORNIAPEKPA-SEYXRHQNSA-N 343.810 4.715 30 40 EJEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1cccc2ccccc12 5551523 SSPUCHWVBKXBJN-LDADJPATSA-N 348.402 4.871 30 40 EJEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OC 6959102 AKMRNDQRHAFEEZ-YBFXNURJSA-N 348.240 4.915 30 40 EJEB CCOC(=O)c1c(Cl)c(CC)c(N=[N+]=[N-])n2c1nc1ccccc12 16952340 FDKOFVHBKOYMAB-UHFFFAOYSA-N 343.774 4.822 30 40 EJEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(N(C)CCC#N)cc1)CC2 35190010 NJMQBWTUULBEDM-CYVLTUHYSA-N 344.458 4.866 30 40 EJEB CC(=O)C(=N/Nc1ccc(Cl)cc1)/C(C)=N\c1ccc(C)cc1 104317933 BDUQGXQYUZUWHE-UWVJQSOBSA-N 327.815 4.798 30 40 EJEB C=CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915057 BQXKIYVBCVCFAZ-SGIOEENZSA-N 332.528 4.697 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1 225856365 YEFKSEYFFATBNR-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB CCCCN1c2ccccc2Sc2cc(/C=N/n3cnnc3)ccc21 3175023 YJQQMIUNFJEZSI-WSDLNYQXSA-N 349.463 4.563 30 40 EJEB Cc1ccc([C@@H](C#N)C(=O)CCCC(=O)Nc2ccc(C)c(C)c2)cc1 6487694 BMXOHUJWEDTOIR-HXUWFJFHSA-N 348.446 4.597 30 40 EJEB C=CCOc1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 8041369 MLUFLKXOUIDPOX-UHFFFAOYSA-N 339.435 4.566 30 40 EJEB O/C(=N\c1nc(-c2cccc3ccccc23)cs1)c1ccccn1 12796145 LJDKWXGSCFJBFK-UHFFFAOYSA-N 331.400 4.995 30 40 EJEB CCn1c(C)cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1C 27861641 ZIKBACDJBSFCEM-UHFFFAOYSA-N 348.471 4.838 30 40 EJEB CCOC(=O)c1cccc(N/C=C2\C[C@@H](C(C)(C)CC)CCC2=O)c1 408562737 AZHDABUTCFXPSD-ZQHZRZASSA-N 343.467 4.965 30 40 EJEB Cc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408855519 DYCXOCRCFGEMHV-WQRHYEAKSA-N 333.229 4.701 30 40 EJEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(C)cc1 408857231 NJMLOOBAZZQTDZ-UHFFFAOYSA-N 345.236 4.878 30 40 EJEB C=CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1Cl 409113389 AOOBLMZUVYSXJD-VBKFSLOCSA-N 339.822 4.812 30 40 EJEB N#CC1(CC(=O)Nc2c(-c3ccccc3)ncn2C2CC2)CCCCC1 597033008 UCEFMGZFOLMRGB-UHFFFAOYSA-N 348.450 4.688 30 40 EJEB N#CCSc1nc(Nc2ccccc2Cl)c2ccccc2n1 8728836 QMWDLIQIKNRDJO-UHFFFAOYSA-N 326.812 4.642 30 40 EJEB N#Cc1ccc(/C=N/CCCCCC/N=C/c2ccc(C#N)cc2)cc1 18046460 WPRSOPAWUGQYPC-RPCRKUJJSA-N 342.446 4.528 30 40 EJEB FC(F)(F)c1cnc(Br)cc1C(F)(F)C(F)(F)F 97949902 GNLLDHRGWJHQLJ-UHFFFAOYSA-N 343.999 4.517 30 40 EJEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\C=C1\C(=O)[C@@H]2CC[C@]1(C)C2(C)C 100366252 NYYAZKCVECQWJT-RLDLYVPUSA-N 326.480 4.890 30 40 EJEB CCCCCCCCCNC=C1C(=O)CC(c2ccccc2)CC1=O 100641749 HCAXEBWCHRHUSF-UHFFFAOYSA-N 341.495 4.926 30 40 EJEB CCOc1ccc([C@@H](/C(Cl)=N\O)C(Cl)(Cl)Cl)cc1 104132285 AYJXJPOOYRWSQH-RKMZRFOKSA-N 331.026 4.566 30 40 EJEB CCN1/C(=C\C=C\C(=O)c2ccccc2OC)Sc2ccccc21 105454447 PHXBJPAYNVMLPW-BTXLNPSKSA-N 337.444 4.908 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)c1 408757029 ZFEXOAWKSQLBHG-LPYMAVHISA-N 332.403 4.851 30 40 EJEB C=CCc1cc(C=O)cc(OC)c1OCc1ccc2ccccc2c1 408859431 UGYPZMJAUCIGEI-UHFFFAOYSA-N 332.399 4.968 30 40 EJEB CSc1ccccc1/N=C/c1cccn1-c1cccc(C(=O)O)c1 409108371 WVGKDZPJIXRCLT-DEDYPNTBSA-N 336.416 4.648 30 40 EJEB N#Cc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1C#N 5777138 IJFBKZGEYHINMJ-UHFFFAOYSA-N 330.350 4.833 30 40 EJEB C=CCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 6173651 UKMPOQHANVLZEA-UHFFFAOYSA-N 341.414 4.607 30 40 EJEB biogenic C=C(C)COc1cccc(C(=O)Nc2cccc(OC(C)C)c2)c1 10156228 DUUIUNRPZUONMS-UHFFFAOYSA-N 325.408 4.681 30 40 EJEB O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1Cl 224164 HFHMUNIBZKQJIS-LZYBPNLTSA-N 339.576 4.761 30 40 EJEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OC 8371746 OVZLILKESHFLLO-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Cl)cc1 13483313 DKGODMUZVKVDEV-YBEGLDIGSA-N 329.808 4.523 30 40 EJEB C=CCc1cc(/C=C2\Sc3ccccc3C2=O)cc(OCC)c1O 15018675 FGCYSXWPYSMLLW-PDGQHHTCSA-N 338.428 4.849 30 40 EJEB O=[N+]([O-])c1ccc(C/N=C/c2ccccc2OCc2ccccc2)cc1 35681323 HJOFECXXZYMYFJ-PXLXIMEGSA-N 346.386 4.793 30 40 EJEB CN(Cc1ccc(C#N)cc1)Cc1c(O)ccc2oc3c(c12)CCCC3 70038331 PMTWTEZIKFKZMI-UHFFFAOYSA-N 346.430 4.521 30 40 EJEB C#CCOc1ccc(CNc2cccc(C)c2C)cc1Br 409109509 GKGOALNQXROFCV-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(OC(F)F)cc1 4834231 SECCOERTNNXBLL-JXMROGBWSA-N 340.272 4.786 30 40 EJEB Fc1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 409092484 YYAYOWSKKPBSRB-AUEPDCJTSA-N 349.287 4.946 30 40 EJEB C(=N/OCc1ccc(CO/N=C/c2ccccc2)cc1)\c1ccccc1 3341181 AJNWTYKWPCCBEK-DFEHQXHXSA-N 344.414 4.788 30 40 EJEB COc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(OC)c1 5504655 ZQKFNYHHBMBPHU-XQNSMLJCSA-N 346.430 4.745 30 40 EJEB FC(F)(F)C(F)(F)Oc1ccccc1OC(F)(F)C(F)(F)F 68590857 HALMNKKCBQNNCW-UHFFFAOYSA-N 346.120 4.754 30 40 EJEB Cc1ccccc1[C@H]1CC(=O)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 1079481 HVJWGOLDFHWXCY-GOSISDBHSA-N 349.405 4.662 30 40 EJEB Cc1ccc2nsnc2c1/N=C/c1ccc(Br)cc1 3156278 FHSQIEKBYSMATF-LZYBPNLTSA-N 332.226 4.513 30 40 EJEB O=C(O)c1cc(NN=C2c3ccccc3-c3ccccc32)ccc1Cl 4924489 LCAXZJLXVNDILI-UHFFFAOYSA-N 348.789 4.883 30 40 EJEB CSc1nc(-c2ccccc2)c(C#N)c(N(C)c2ccccc2)n1 19820462 MTLVLAWQMGGIGX-UHFFFAOYSA-N 332.432 4.505 30 40 EJEB O=C(/C=C/Nc1ccc(Br)cc1)c1ccc(Cl)cc1 32116961 QIUPJXVQDAIJHT-MDZDMXLPSA-N 336.616 4.911 30 40 EJEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1Cl 95350852 BMPITWBWQYPBDM-GOSISDBHSA-N 347.805 4.643 30 40 EJEB COc1cccc2cc(/C(=N/O)c3ccc(Cl)cc3Cl)oc12 100316008 GATCDWPPDNMFIN-XDJHFCHBSA-N 336.174 4.975 30 40 EJEB COc1ccc(C)cc1N/C=C/C(=O)c1cccc(Br)c1 409055274 KRCJPVWJOKVTHD-CMDGGOBGSA-N 346.224 4.575 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 298269 YPNLGSYRERRWRC-JTQLQIEISA-N 330.840 4.650 30 40 EJEB Cc1ccccc1NC(=S)N/N=C/c1ccc(C(C)(C)C)cc1 3267477 PVHNDXXPYBTZBT-DEDYPNTBSA-N 325.481 4.613 30 40 EJEB Clc1ccccc1-c1ccc(/C=N/Nc2ncnc3ccccc23)o1 4536972 JOSCPJNCVHBULY-FOKLQQMPSA-N 348.793 4.989 30 40 EJEB C=CCn1c(SCC(C)C)nc2scc(-c3ccco3)c2c1=O 11020406 SVLHGGNAICGDTR-UHFFFAOYSA-N 346.477 4.652 30 40 EJEB C/C(=N/N=C(/S)NCc1ccccc1)c1ccc(C(C)(C)C)cc1 13144467 FPDMXLIDOJCXGJ-JCMHNJIXSA-N 339.508 4.784 30 40 EJEB O=C(O)c1ccc(Cl)c(/N=C/c2ccc(N3CCCC3)c(F)c2)c1 409068341 SEDMKMLAYYFVMY-SRZZPIQSSA-N 346.789 4.528 30 40 EJEB Cc1cccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3O)nc12 226531 MLQNTCHVWIJDTK-WSDLNYQXSA-N 344.370 4.965 30 40 EJEB N#C[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 1397659 YLDUJEAVNSGVLO-ZDUSSCGKSA-N 348.627 4.983 30 40 EJEB C/C(=N\Nc1ncnc2sc3c(c12)CCC3)c1cc2ccccc2o1 14361387 FVJNCLMKRGMNSG-SSDVNMTOSA-N 348.431 4.762 30 40 EJEB C=CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 16222531 ZFPPIEIWGZUJDC-YPKPFQOOSA-N 331.371 4.657 30 40 EJEB C/C(=N/n1c(-c2ccc(C)cc2)n[nH]c1=S)c1ccc(Cl)cc1 6556817 SHUHVVPCLSOLHK-MTJSOVHGSA-N 342.855 4.842 30 40 EJEB CCOc1ccc2nc3cc(/N=C/c4ccco4)ccc3c(N)c2c1 36089811 UBZYXGKCPPTJDU-WSDLNYQXSA-N 331.375 4.713 30 40 EJEB Cc1ccc(-c2nc(C#N)c(NCCSc3ccccc3)o2)cc1 72427521 DZSVZXMWWAPMQZ-UHFFFAOYSA-N 335.432 4.726 30 40 EJEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCC1=[N+]([O-])CCN1 104370690 LYAOJMQMJXWQCP-MOPGFXCFSA-N 338.536 4.747 30 40 EJEB Cc1cnc(C2CCN(c3nc4ccccc4c(C)c3C#N)CC2)s1 333689733 MIDLLLLYRDKIMS-UHFFFAOYSA-N 348.475 4.564 30 40 EJEB C#CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br 8368619 RVYUMQGKXJPTFE-UDWIEESQSA-N 342.236 4.829 30 40 EJEB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C#N 57313562 OATQEDHULYVENF-UHFFFAOYSA-N 336.435 4.652 30 40 EJEB N#CCc1cn(-c2ccc(Br)cc2F)c2ccccc12 95915735 PVKOWXCLYFEHRA-UHFFFAOYSA-N 329.172 4.598 30 40 EJEB COc1c(Cl)cc(Cl)cc1C(=O)n1cc(C#N)c2ccccc21 226361546 IYHOQVNATQWJKA-UHFFFAOYSA-N 345.185 4.517 30 40 EJEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OC 409116682 LJKPWVSNRATJID-UHFFFAOYSA-N 325.452 4.997 30 40 EJEB Clc1cccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c1 4713152 JROAKYKOURGJLE-RGVLZGJSSA-N 343.217 4.896 30 40 EJEB O=C(/C=C/c1cccc(O)c1)c1ccccc1OCc1ccccc1 5279097 BIJOOERTNVCNLU-BUHFOSPRSA-N 330.383 4.867 30 40 EJEB C/C(=N\CC(=O)[C@]1(C)CC(C)(C)Cc2ccccc21)c1ccccc1 16136702 AFLOLGFZTKRDCW-WDRHXJDGSA-N 333.475 4.995 30 40 EJEB CC(=O)Nc1ccc(Cc2ccc(/N=C/c3ccccc3)cc2)cc1 17951090 HCYYFHKNXJKSQS-XQNSMLJCSA-N 328.415 4.986 30 40 EJEB COc1ccc2cc(/C=C/C(=O)c3cccc(C#N)c3)c(Cl)nc2c1 95116640 JDHHFAJAXZXAPM-SOFGYWHQSA-N 348.789 4.665 30 40 EJEB O=C(/C=C\C(=N\Nc1ccccc1)c1ccccc1)c1ccccc1 104133857 FYTQJBOKKJMFPY-NJCOQUAASA-N 326.399 4.942 30 40 EJEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(C)c([N+](=O)[O-])c1 106110749 QORBGGBAXCLGCR-MTJSOVHGSA-N 341.386 4.702 30 40 EJEB C=CCOc1ccc(Br)cc1CNc1ccc(F)cc1 409206915 NHOPTLOAZDAPSA-UHFFFAOYSA-N 336.204 4.765 30 40 EJEB CC(C)C(=O)Nc1ccccc1NC1=CC(=O)C[C@@H](c2ccccc2)C1 5188103 UPAQTJKMVHFALB-KRWDZBQOSA-N 348.446 4.724 30 40 EJEB C/C(C(=O)c1ccc(Cl)cc1)=C1\Nc2ccc(Cl)cc2NC1=O 8651699 DFHKRPVUSSIVCQ-OQLLNIDSSA-N 347.201 4.514 30 40 EJEB CCSc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1 10252537 BDAFEBZDCZEFOX-UHFFFAOYSA-N 330.478 4.530 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(N(C)C)cc2)cc1 44842988 BOIRLOXRCJLVMH-CCEZHUSRSA-N 338.451 4.740 30 40 EJEB C=C(Cl)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671224 RHKBPIVJBGOMFL-VKHMYHEASA-N 346.523 4.774 30 40 EJEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)cc1C#N 225827581 NUCFSGWZEFESLF-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB O=C(/C(=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 8649549 ITEVQCOSZIDQSW-HKWRFOASSA-N 345.354 4.898 30 40 EJEB COc1ccc(OC)c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 71977065 NKOHNKUFSZDVTQ-QPJJXVBHSA-N 337.202 4.907 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/Cc3ccc(C(=O)O)cc3)c2C)c1 408760977 BJAHKANOSCCMCQ-OEAKJJBVSA-N 346.430 4.720 30 40 EJEB Cc1cc(/C=N\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCCC1 408848501 VNUWTFULLJMDOE-NDENLUEZSA-N 343.814 4.907 30 40 EJEB Oc1cccc(/N=C\c2cccn2-c2cccc(Br)c2)c1 409013798 VRPAWWZWDFZNFQ-UNOMPAQXSA-N 341.208 4.696 30 40 EJEB CC(=O)C(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(C)=O 533907 HLBOKGZWHTULGS-UHFFFAOYSA-N 336.359 4.823 30 40 EJEB COc1ccc(/C(=N/N=C(/c2ccc(OC)cc2)C2CC2)C2CC2)cc1 5639872 WJIJXVOUYCVYJC-MBALSZOMSA-N 348.446 4.717 30 40 EJEB N#Cc1ccccc1COC(=O)c1ccccc1Nc1ccccc1 6616114 INYJJFUABKIOLC-UHFFFAOYSA-N 328.371 4.659 30 40 EJEB COc1ccc2c(c1)CC/C(=C\c1ccc(OC(F)F)cc1)C2=O 96792349 FKVXJLSKERVALY-GXDHUFHOSA-N 330.330 4.509 30 40 EJEB CCOc1ccc([C@H](/C(Cl)=N/O)C(Cl)(Cl)Cl)cc1 104132291 AYJXJPOOYRWSQH-UIOUTNAGSA-N 331.026 4.566 30 40 EJEB CC(C)/N=C1\S/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1C(C)C 409213586 PXPRGJXRTVTHIY-KRICTJEJSA-N 346.496 4.563 30 40 EJEB C=C(C)C(=O)Oc1ccc(NC(=O)c2ccccc2)c2ccccc12 3013892 STOXTLUAOMAOBZ-UHFFFAOYSA-N 331.371 4.574 30 40 EJEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(ccc3ncccc13)N2 4930310 PGAJBYMUKCCHKI-FQEVSTJZSA-N 344.389 4.938 30 40 EJEB CCCCOc1ccc(-c2ncnc3c(C#N)c4ccccn4c23)cc1 8844866 NZXFMHLNGWBFFA-UHFFFAOYSA-N 342.402 4.600 30 40 EJEB CCC(=O)Nc1cc(Cl)c2nc(NN=C(C)C)sc2c1Cl 72228996 PNKZXURJVMQERE-UHFFFAOYSA-N 345.255 4.759 30 40 EJEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 60282 UETCNRYATOEOAD-DJKKODMXSA-N 345.811 4.811 30 40 EJEB CCN(CC)CC[C@]1(C#N)Cc2ccccc2N(CC)c2ccccc21 1565842 WLPBPDGAOMFFBF-HSZRJFAPSA-N 347.506 4.894 30 40 EJEB CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 4517406 PKLSXGDTFZYOLC-UHFFFAOYSA-N 342.489 4.863 30 40 EJEB CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(Cl)cc1C#N 4550677 MYKWUBUUIVVATC-GOSISDBHSA-N 339.826 4.578 30 40 EJEB CCOc1ccc2cc(/C=C/C(=O)c3ccco3)c(Cl)nc2c1 4668788 YWXGZDZAWBREOQ-SOFGYWHQSA-N 327.767 4.776 30 40 EJEB CCc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1 12466059 JFQMFQZKSTXVSI-WJCPARMISA-N 340.423 4.622 30 40 EJEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(C)c1 32100453 YKSBDMLLIWGMRA-ACCUITESSA-N 330.225 4.956 30 40 EJEB C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 33734522 KDWOWEXNJPDUKG-LLVBAIKDSA-N 326.480 4.859 30 40 EJEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(C#N)CCC2)cc1Cl 96411997 CFLKKWRARCTPLT-KRWDZBQOSA-N 349.821 4.628 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366451 XZNGOEFIQGQWSR-NXBYWCKSSA-N 326.480 4.890 30 40 EJEB Brc1ccccc1/N=C\c1ccc(N2CCCC2)cc1 101753770 OFAIIVPWJUMMFE-UYRXBGFRSA-N 329.241 4.800 30 40 EJEB C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1 1358 NBEALWAVEGMZQY-UHFFFAOYSA-N 333.431 4.622 30 40 EJEB in-man CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 428107 AAFCZIVLTILZBR-RBBKRZOGSA-N 348.442 4.623 30 40 EJEB CC(C)(C)c1ccc(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 4991609 ZHRYJOAQUNYQDX-DJKKODMXSA-N 348.786 4.708 30 40 EJEB Cc1ccc(C)c(NC(=S)N/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)c1 8025576 YSAWMXPHSGLCDZ-KJJXXWTESA-N 327.497 4.568 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 570346 VFWWGXPUKBEQSQ-LLVKDONJSA-N 344.867 4.579 30 40 EJEB C=C(C)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 2127737 BVNABDBZBSYDEN-UHFFFAOYSA-N 336.387 4.732 30 40 EJEB biogenic Cc1ccc(/N=C2\NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc1 18272353 GFAWRJQPLXEXTM-WQRHYEAKSA-N 347.443 4.676 30 40 EJEB C[C@@H](CC#N)Sc1ccccc1NCc1ccc(C#N)cc1F 109002093 VTVMGZXELLYGGD-ZDUSSCGKSA-N 325.412 4.704 30 40 EJEB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C#N 225678733 DZZQWCGKNCQYCY-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB Cc1ccccc1N/N=C1/C=C(c2ccc3ccccc3c2)OC1=O 408726712 SWMJHAPCTUCDOJ-NMWGTECJSA-N 328.371 4.514 30 40 EJEB CC[C@H](C)n1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 408908448 CNGCMGTXFMHQIY-GQFJFNLSSA-N 336.395 4.967 30 40 EJEB CC(C)Cn1c(/C=N/Nc2nc3ccccc3s2)nc2ccccc21 4115904 XGOXAVLRTRGISD-RGVLZGJSSA-N 349.463 4.748 30 40 EJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1cccc(Cl)c1 40139550 QQEORWRPWJDPQE-BQYQJAHWSA-N 326.808 4.755 30 40 EJEB CCOc1ccc(Cl)cc1/C=N/c1cc(C(=O)OC)ccc1C 409096497 KLRBOQXVFHVKIH-RGVLZGJSSA-N 331.799 4.584 30 40 EJEB Cc1cccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)c1 108148 RIHMMLGULVTPSK-HNNXBMFYSA-N 333.391 4.607 30 40 EJEB N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)o2)c(F)c1 11536663 CCPDEPPWCHUQDZ-UHFFFAOYSA-N 345.786 4.693 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 44900146 MHMBUDQHOVLERS-GOSISDBHSA-N 345.826 4.701 30 40 EJEB C[C@H](c1nc2ccccc2s1)N(C)Cc1cn2ccccc2c1C#N 58434129 QCHFTTPXPYRVJD-CQSZACIVSA-N 346.459 4.614 30 40 EJEB C#CCOC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 73634023 FUJQQZWCFYLMRX-UHFFFAOYSA-N 346.169 4.592 30 40 EJEB CC(C)(CCC#N)CNc1ccc(NC(=O)N2CCCCCC2)cc1 95428895 QXKQVGFTSTZWSA-UHFFFAOYSA-N 342.487 4.836 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(CO5)[C@@]4(C)CC[C@@H]32)C1 118917463 PQMPPACKUYBMIW-CEGNMAFCSA-N 346.511 4.707 30 40 EJEB Cc1ccccc1Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225855808 XMZYNMXYIHKKBT-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB NC(=O)c1c(/N=C/c2ccc3ccccc3c2)sc2c1CCCC2 588118 BTDYUVISWAETRN-WSDLNYQXSA-N 334.444 4.630 30 40 EJEB CCNc1ccccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1=O 4667376 LEWCEZZDVHGZQD-CSKARUKUSA-N 348.229 4.682 30 40 EJEB O=C(/C=C\Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)cc1 5944623 BCNFBLLEWZUDTJ-FPLPWBNLSA-N 336.174 4.500 30 40 EJEB CCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(C)cc2)cc1 12419846 PRTQRJRJTYPAFD-HKWRFOASSA-N 349.430 4.909 30 40 EJEB CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl 72302484 RKXRFNMAVDAXLN-AEFFLSMTSA-N 325.843 4.688 30 40 EJEB CCCCCCCCCC[C@H]1C(=O)N(c2nc(C)cc(C)n2)N=C1C 105330143 COAVQEFBLHOZMS-GOSISDBHSA-N 344.503 4.963 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 222959605 JGWCWOBFLTXHTI-LJQANCHMSA-N 339.435 4.664 30 40 EJEB CC[C@H](C)Oc1ccccc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 408601158 IVHYPZPPLPEWDO-DQAKUKQTSA-N 346.814 4.662 30 40 EJEB Cc1cccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 409206205 WCOCSYITTISLFZ-HMAPJEAMSA-N 331.419 4.548 30 40 EJEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1C#N 557426 KOFKGZNSMUXURB-VOTSOKGWSA-N 347.201 4.526 30 40 EJEB C(=N/Nc1nc2ccccc2o1)\c1cccc(OCc2ccccc2)c1 4966100 XCOGIRDKFWBLQD-HYARGMPZSA-N 343.386 4.853 30 40 EJEB COc1ccc(Cl)cc1-c1csc(N/N=C/c2ccccc2)n1 5258327 SGEYDYFZAVPXNG-VXLYETTFSA-N 343.839 4.918 30 40 EJEB Cc1ccc(/N=C2/S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1C 13940977 JIZHFUJUJKQBCG-WZOFUNJYSA-N 340.423 4.676 30 40 EJEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/Nc2ccccc2)o1 59426438 ZGUDKLJOLCGQSZ-YBFXNURJSA-N 341.754 4.954 30 40 EJEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224713574 HBWURWGCUVMDLM-UHFFFAOYSA-N 349.883 4.647 30 40 EJEB CCc1ccc(/N=C/c2ccccc2I)cc1 408550548 HTQNPMMNVYWPSZ-GZTJUZNOSA-N 335.188 4.604 30 40 EJEB CCSc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357759 VYVOHFHPPMHDAZ-UHFFFAOYSA-N 334.256 4.814 30 40 EJEB CCCOC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 2131697 BHHYIJUWASGBAT-HYARGMPZSA-N 333.387 4.863 30 40 EJEB C/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccc(C)c(C)c1 4871874 GCUWUGXDUXPGBT-LTGZKZEYSA-N 325.481 4.631 30 40 EJEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1C 5684117 ZCNDADXBJJBCQN-YDZHTSKRSA-N 330.387 4.668 30 40 EJEB CC(=O)/C(=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 36056591 FDAUAWCWYPKAFJ-FGYWKOCISA-N 328.452 4.663 30 40 EJEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2C)cc1 38361151 LIBNROJFQMSETM-PDFVYNHPSA-N 342.851 4.882 30 40 EJEB COc1ccc(-n2cccc2/C=N/c2cc(Cl)ccc2OC)cc1 408858668 KCCMKOAVOUWDNL-FYJGNVAPSA-N 340.810 4.899 30 40 EJEB COc1ccc(/N=C/c2cc(Br)ccc2O)cc1Cl 58405 BATWUKVVGIRFCM-CAOOACKPSA-N 340.604 4.567 30 40 EJEB C=C(C)CSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5302102 RMAXNEYEHAZTAO-UHFFFAOYSA-N 340.492 4.972 30 40 EJEB CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 59138605 RPWVNLMHDYRLDA-RCCKNPSSSA-N 340.423 4.587 30 40 EJEB Cc1ccc2nc(N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 98086926 FBXDLOUSOSNCAN-IUXPMGMMSA-N 346.799 4.612 30 40 EJEB C/C(N[C@H](C)[C@@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749053 FTBDZFXCBOAPHD-GAVHIVJHSA-N 327.512 4.556 30 40 EJEB Cc1cccc(Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)c1 225856079 KRPQCUFEUDCKEO-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB COc1cc(/C=C(\C)c2ccc3ccccc3n2)ccc1OCC#N 585079671 AECFOIOVZSHMDL-FYWRMAATSA-N 330.387 4.706 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 2713910 JKHMEMXAPWWVSA-UHFFFAOYSA-N 348.214 4.727 30 40 EJEB Cc1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C 4554538 FTAFJYULRBSDEI-UHFFFAOYSA-N 336.869 4.621 30 40 EJEB N#Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)c2ccccc2)cc1 6880775 OFYSXVDVIOSRJS-FOCLMDBBSA-N 338.410 4.805 30 40 EJEB O=C(/C(=N/N=C/c1ccccc1F)c1ccccc1)c1ccccc1 12566239 ZSHCRECDKCKABH-OJMJSWISSA-N 330.362 4.532 30 40 EJEB Cc1nn2c(-c3ccccc3)c(C#N)cnc2c1-c1ccc(Cl)cc1 13637092 SQYCKHMVPGIODE-UHFFFAOYSA-N 344.805 4.897 30 40 EJEB N#Cc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 14682978 KPFCUHTWVACNFB-UHFFFAOYSA-N 336.410 4.672 30 40 EJEB C=CCSc1ccccc1C(=O)Nc1cccc(Br)c1 219796662 KZOPOHMJQJJFGY-UHFFFAOYSA-N 348.265 4.980 30 40 EJEB C=CCn1c(=S)[nH]c2scc(-c3ccccc3Cl)c2c1=O 180432 XTCDCDFBDIWCDJ-UHFFFAOYSA-N 334.853 4.627 30 40 EJEB N#CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2528061 JVNGVPICFBYTGS-UHFFFAOYSA-N 329.399 4.911 30 40 EJEB in-vitro CC1(C)CC(=O)C=C(Nc2cccc(OC(F)(F)C(F)F)c2)C1 5190435 XXRVDOQZIDCBBC-UHFFFAOYSA-N 331.309 4.608 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1cccc(F)c1 5376981 IINAKLMEWIYVRS-WQRHYEAKSA-N 348.402 4.871 30 40 EJEB Cc1cc(Br)c(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1 6500559 TYROFMCHRQNZHQ-KEBDBYFISA-N 348.284 4.851 30 40 EJEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1O 6958588 KSYLBFHBADIMET-VXLYETTFSA-N 348.240 4.921 30 40 EJEB COc1ccc(C(=O)/C=C\C(C)=C/C=N/N(C)c2ccccc2)cc1 104194083 HLGJHYSFBLPOSI-PLABWWKHSA-N 334.419 4.503 30 40 EJEB CC(C)(C)c1cc(/C=N\[C@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1 108567226 QBLAJFNGSINFEB-MTEVNVADSA-N 333.516 4.813 30 40 EJEB C=CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(OC)c1 216852806 UEGXQKWUCNTMQQ-UHFFFAOYSA-N 348.398 4.770 30 40 EJEB CCc1cc(CC)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(CC)c1 5318244 WTGBTTDJCQGZBF-DEDYPNTBSA-N 325.412 4.728 30 40 EJEB N#Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 15739023 CXMWAYUBKNACBT-UHFFFAOYSA-N 339.354 4.619 30 40 EJEB CCCCCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 19940213 FUBXSPYISJDSQT-UHFFFAOYSA-N 339.439 4.667 30 40 EJEB FC(F)(F)c1ccc(Cl)c(/N=C\c2ccc3c(c2)OCO3)c1 104127404 XGQOCESAPLRPPM-SCDVKCJHSA-N 327.689 4.838 30 40 EJEB CCCCCCCCCC(=O)NC(=S)Nc1cccc(C(C)=O)c1 104171852 WQPCKZZYQGBFNJ-UHFFFAOYSA-N 348.512 4.843 30 40 EJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 408739202 TVUFHGYEVYNUBS-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB Cc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 6048173 DZJCPVIRCQPFLJ-SOFGYWHQSA-N 335.281 4.818 30 40 EJEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)n1 10267135 YDBWWOCUFZLDTE-AWEZNQCLSA-N 349.459 4.723 30 40 EJEB CN(C)c1ccc(/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1 17161051 VZPVVPDSPKHMIV-LNVKXUELSA-N 328.415 4.756 30 40 EJEB O=C(O)c1ccc(COc2ccccc2/C=N/c2cccc(F)c2)cc1 59104378 NIKKBTAKEPTKLM-YDZHTSKRSA-N 349.361 4.854 30 40 EJEB CCOc1ccc(/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 100242424 IADDKCXMFDEECY-LNVKXUELSA-N 342.398 4.884 30 40 EJEB CCCCCCCNCc1cc(Br)c(OC)c(OC)c1 102566569 MZYWOALPTVGPNP-UHFFFAOYSA-N 344.293 4.526 30 40 EJEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(C)s3)nc1-2 409040039 FIXCTCMGOLPHEM-NVMNQCDNSA-N 326.446 4.843 30 40 EJEB C=CCNc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N 33027072 PZWLQLRUFSDMJB-UHFFFAOYSA-N 349.390 4.600 30 40 EJEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(C)=O)c(Cl)c2s1 72228998 BXADMGQWBVACLK-FXBPXSCXSA-N 345.255 4.759 30 40 EJEB Fc1ccccc1-c1nc(N/N=C/c2ccccc2)c2ccccc2n1 5024696 FJUMNVFTKOJRDO-OEAKJJBVSA-N 342.377 4.882 30 40 EJEB C=CCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2C)c1 12138052 BHUNNNXFXKRFGR-UHFFFAOYSA-N 345.826 4.539 30 40 EJEB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225825400 GQPWFUGWYUWOKH-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 408962688 ZZAWPFJTKFBPSQ-PXLXIMEGSA-N 336.435 4.523 30 40 EJEB CCN1C(=O)/C(=C\c2cccc(C)c2)S/C1=N/c1ccc(F)cc1 409242027 TZZBJFJLWOXBHM-HWWZFDGNSA-N 340.423 4.758 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1ccccc1C 8570838 UUCROYMSMXSSMF-XDHOZWIPSA-N 328.209 4.520 30 40 EJEB Cc1c(C2CC2)nn(-c2ccccc2)c1NCc1cccc(C#N)c1 89556306 USUNJZOLRYBYMA-UHFFFAOYSA-N 328.419 4.542 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 191253 BPLQCJXXAQQYJA-UHFFFAOYSA-N 329.384 4.573 30 40 EJEB O=C1C=C(Nc2ccc(NC(=S)Nc3ccccc3)cc2)CCC1 5224539 LDLCWLMAKMZBQZ-UHFFFAOYSA-N 337.448 4.544 30 40 EJEB CN(Cc1ccco1)C(=O)c1ccccc1Sc1ccccc1C#N 7718401 PZBRKPSCIMGMER-UHFFFAOYSA-N 348.427 4.575 30 40 EJEB CC(=O)/C(=C/c1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 36056588 FDAUAWCWYPKAFJ-ADCHEXGTSA-N 328.452 4.663 30 40 EJEB C[C@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2C1 4070051 ANLKTZXNULWNEE-JTQLQIEISA-N 330.840 4.650 30 40 EJEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OC 8367811 ISVWSAGXKDWNKV-VXLYETTFSA-N 348.240 4.834 30 40 EJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N\c2cc(Cl)ccc2O)o1 100933838 UJNDGTMWJIFENZ-GRSHGNNSSA-N 342.738 4.964 30 40 EJEB CCC(=O)O[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]2(C)C1 253502439 SEFNHDCTTLMQJR-SOJYOXCPSA-N 342.479 4.616 30 40 EJEB CCOc1cc(/C=N/O)cc(Cl)c1OCc1cc(C)cc(C)c1 408935309 CRMWWGQAHGEEPL-KEBDBYFISA-N 333.815 4.743 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 2713907 RWBKYQJFJTXVRR-UHFFFAOYSA-N 348.214 4.727 30 40 EJEB Clc1ccc(/C=N/NCc2csc(-c3ccccc3)n2)cc1 3226972 NINQHSRLLZZOKK-VXLYETTFSA-N 327.840 4.587 30 40 EJEB Cc1ccc(Nc2nnc(SCc3ccccc3C#N)s2)cc1 6044409 AQSOPASQNJSZMU-UHFFFAOYSA-N 338.461 4.754 30 40 EJEB CCCCP(=O)(CCCC)COS(=O)(=O)c1ccc(C)cc1 6652239 QNIKBNWPXMIZFP-UHFFFAOYSA-N 346.429 4.621 30 40 EJEB CN(C)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1 16921050 KZEORMYXLDOYGK-HAHDFKILSA-N 325.415 4.605 30 40 EJEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1C 18196842 KECZZJRJDIGBEL-NRFANRHFSA-N 347.414 4.597 30 40 EJEB Cc1ncc(-c2ccc(NC(=O)c3ccccc3SCC#N)cc2)o1 24760505 ASEDBVGLEJTKNK-UHFFFAOYSA-N 349.415 4.518 30 40 EJEB C=C(Cl)CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 75142413 OADFZXBVFRXQFR-UHFFFAOYSA-N 339.744 4.855 30 40 EJEB C[C@@H](C=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 255004290 XVPJEGGIGJLDQK-DTHKGXSISA-N 328.496 4.970 30 40 EJEB COc1ccc(Sc2nc(-c3ccc(F)cc3)ccc2C#N)cc1 3128337 KNWBCQIABXICGD-UHFFFAOYSA-N 336.391 4.919 30 40 EJEB Cc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cccnc3)c2)cc1 12792493 RFVMTTNRAQSAFT-FMIVXFBMSA-N 342.398 4.538 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc12 15554129 MVLJXMXJRUIMMP-XYOKQWHBSA-N 333.343 4.653 30 40 EJEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC 18191066 OASMXUOMVXWRQO-CIAFOILYSA-N 340.448 4.656 30 40 EJEB O/C(=N\C1CC1)c1cc2sccc2n1Cc1ccccc1Cl 37526154 PGRKFXBDXGQWQT-UHFFFAOYSA-N 330.840 4.872 30 40 EJEB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 53091165 CEAXBBCOXVTZIX-SNAWJCMRSA-N 327.283 4.571 30 40 EJEB N#C[C@H](C(=O)Cc1ccc(Cl)cc1)/C(O)=N/c1ccccc1Cl 82071981 HSODHSICZRGEGT-CYBMUJFWSA-N 347.201 4.533 30 40 EJEB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 225676088 YBAXNNCISUXDGL-UHFFFAOYSA-N 348.446 4.798 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 4714247 ROEWVZKDIRTGTM-QPJJXVBHSA-N 337.202 4.907 30 40 EJEB CCCOc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6626553 GMOWZNKEQASDAE-ONNFQVAWSA-N 345.782 4.933 30 40 EJEB C=CCCCCCCC#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@H]1O 31167189 CADCSTMAPXTITJ-HSALFYBXSA-N 334.500 4.779 30 40 EJEB biogenic,in-vitro C/C(=N/NC(=S)Nc1ccc(F)cc1)c1ccc2ccccc2c1 33757588 BGXNDFMPZDQHGX-XKZIYDEJSA-N 337.423 4.690 30 40 EJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2)S1 59224208 FOKQPFSRMQADIK-DHDCSXOGSA-N 328.824 4.540 30 40 EJEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)cc1 144202409 AUBSIZSXRKZKKP-HYARGMPZSA-N 334.419 4.949 30 40 EJEB Cc1oc(C(C)C)cc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 331389527 DNVYXADSHKGSOJ-OALUTQOASA-N 336.435 4.623 30 40 EJEB C=CCOc1ccc(NC(=O)CSCc2ccccc2Cl)cc1 408576454 UYRJXKFBJIEAQG-UHFFFAOYSA-N 347.867 4.777 30 40 EJEB C=CCn1c([C@H](C)Oc2ccc(-c3ccccc3)cc2)n[nH]c1=S 5729912 QCNRXFJRRHMWBS-AWEZNQCLSA-N 337.448 4.934 30 40 EJEB N#Cc1cccc(COC(=O)c2ccccc2SCc2ccco2)c1 37124410 LUGGDPHMCCYRES-UHFFFAOYSA-N 349.411 4.801 30 40 EJEB Clc1ccccc1/N=C/c1ccc(OCC2=CCOCC2)cc1 103552870 LJJJSKJVSRHOBJ-FYJGNVAPSA-N 327.811 4.816 30 40 EJEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 225846346 UWZMAEGEVKUFJL-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB C[C@H](C#N)CNCc1cccc(Oc2cccc(C(F)(F)F)c2)c1 544598033 QNBQKFCFRTXNPP-CYBMUJFWSA-N 334.341 4.747 30 40 EJEB C=C(C)COc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1 387288 PXHTZMQPPIJELB-UHFFFAOYSA-N 338.359 4.549 30 40 EJEB biogenic COc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Br 569635 IFOOCJNNTQDRGQ-CAOOACKPSA-N 340.604 4.567 30 40 EJEB COc1ccc2c(c1)/C(=N/OC(=O)c1cccc3ccccc13)CCC2 5351766 PMFVHNGGZOUKGV-XTQSDGFTSA-N 345.398 4.746 30 40 EJEB N#Cc1c(CSc2ncc(-c3ccc(F)cc3)o2)cn2ccccc12 10848839 SIHZIURIHSLYOR-UHFFFAOYSA-N 349.390 4.897 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 118928309 SGQKAJDGWMDIOH-QRMVVFHNSA-N 328.496 4.970 30 40 EJEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(Cl)cc1Cl 1226841 ATYUCRXASRQLTI-ZSOIEALJSA-N 349.242 4.885 30 40 EJEB C=CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]21 4959430 WCIRIGFPEWGCHY-GCKMJXCFSA-N 347.414 4.776 30 40 EJEB CN(Cc1cccc(C#N)c1)Cc1c(O)ccc2oc3c(c12)CCCC3 69980946 IENVEIKQIMMATE-UHFFFAOYSA-N 346.430 4.521 30 40 EJEB CN(C)c1ccc(/C=C/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408931809 QODQPFKVUFOAAN-RJGUFMFGSA-N 333.357 4.883 30 40 EJEB CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C#N)C1 2768895 ISAUBRJWAQHJRJ-CYBMUJFWSA-N 342.464 4.987 30 40 EJEB CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 4517401 YBTXXZPSKICUDW-LLVKDONJSA-N 342.489 4.719 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 5358604 RKPKPEGSYGZHKY-QGOAFFKASA-N 338.406 4.991 30 40 EJEB COc1cccc(CSc2nc(-c3ccccc3)ccc2C#N)c1 6887123 HVFGAXIWDDIGLQ-UHFFFAOYSA-N 332.428 4.921 30 40 EJEB CSc1nc(NC(C)(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820586 UTYUAIYPUYWOLI-UHFFFAOYSA-N 332.860 4.601 30 40 EJEB C=C(C)C1(C(C)=O)[C@@H]2c3ccccc3[C@@H]1c1c(F)c(F)c(F)c(F)c12 101050816 XNBVBCXWXMOINW-HUUCEWRRSA-N 346.323 4.985 30 40 EJEB CC[C@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Cl 408595745 NBAIXEQLLNIOFX-OFJBCHTGSA-N 342.826 4.940 30 40 EJEB CC[C@H](C)Oc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1Cl 409012801 KWLIGCHVULTSJX-DQAKUKQTSA-N 331.799 4.966 30 40 EJEB CCCCCCCCN(Cc1ccccc1)C[C@@H](O)c1ccncc1 1671559 DYNBTZGVDSTGKV-JOCHJYFZSA-N 340.511 4.978 30 40 EJEB CC1(C)CCC[C@](C)(C#CCN2CCC(Cc3ccccc3)CC2)O1 12402420 KUCFNANUPHJRDX-HSZRJFAPSA-N 339.523 4.682 30 40 EJEB CCOc1ccc2ncc(C#N)c(NCc3cccc(Cl)c3)c2c1 16841797 GOMUPKKHGFTMGZ-UHFFFAOYSA-N 337.810 4.771 30 40 EJEB COc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)cc(Cl)c1O 96767073 HPPHQHFROZUSDR-ZSOIEALJSA-N 342.822 4.884 30 40 EJEB CCCCCCCCCC[C@H](O)CN1CCN(c2ccccc2)CC1 104063960 ABQCBBABOZFXTG-QFIPXVFZSA-N 346.559 4.700 30 40 EJEB C=CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408559988 XNLJEXVERNHNFO-SFHVURJKSA-N 345.851 4.683 30 40 EJEB COc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 408911814 ONYCRMKEYGHZLK-WSDLNYQXSA-N 348.402 4.582 30 40 EJEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccccc1 3173166 REHUPAQDLIEZJW-SFHVURJKSA-N 345.442 4.850 30 40 EJEB Cc1ccc(/N=C/c2c(O)ccc3cc(Br)ccc23)nc1 5337688 LVQLRNSPVZNOGI-KEBDBYFISA-N 341.208 4.762 30 40 EJEB C(=N/Nc1c2ccccc2nc2ccccc12)\c1ccc2c(c1)OCO2 13284009 METGKBQCCAPKBM-WSDLNYQXSA-N 341.370 4.563 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(O)cc1 18172923 HNOGJIVCJQTOQX-FQEVSTJZSA-N 334.419 4.614 30 40 EJEB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CC#N)cc1 20038276 NCKXIASRAPNGQZ-OAQYLSRUSA-N 344.414 4.702 30 40 EJEB CCCCCCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)Cl 100498115 BJYSIXLXMKLCCR-CYBMUJFWSA-N 346.726 4.712 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)cc1 2713908 CWHCDXAEXUSSFN-UHFFFAOYSA-N 348.214 4.727 30 40 EJEB CCOc1ccc(/C=N/Nc2nc3ccccc3s2)c(OCC)c1 4350001 VCSJOABMOQOESD-XDHOZWIPSA-N 341.436 4.540 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 8498757 UOWKRVOKVNDALQ-GOSISDBHSA-N 345.826 4.701 30 40 EJEB CC/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(C)cc1C 15911576 ZUXZVCJIYNOLQS-WUWLJUPKSA-N 349.503 4.945 30 40 EJEB C=CCc1cc(C=O)ccc1OCc1ccc(Br)cc1 408844672 IFMGTMHACHJOLA-UHFFFAOYSA-N 331.209 4.569 30 40 EJEB Clc1ccc(/C=N\c2cccc(I)c2)s1 408967757 UOKXSJPDXGGSIX-AUWJEWJLSA-N 347.608 4.757 30 40 EJEB C=CCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409094891 AISHCEGYLFJPAL-SDNWHVSQSA-N 343.429 4.653 30 40 EJEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 5249734 UYSRXQAYHMOEJW-NHDPSOOVSA-N 343.382 4.585 30 40 EJEB C=CCOC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 73638375 IMXXZOKUKOYLCR-UHFFFAOYSA-N 341.588 4.705 30 40 EJEB CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc3ccccc3c2)CC1 79033125 JMTRYZLLWRAPGE-UHFFFAOYSA-N 336.435 4.632 30 40 EJEB O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1 100468308 ZMFUNBANYCYMOW-VXLYETTFSA-N 328.824 4.989 30 40 EJEB O=S(=O)(c1ccccc1)[C@@H]1CCCCCCCCCC/C1=N/O 100948617 VUVNVXNGNZOYAH-LYHOESIGSA-N 337.485 4.574 30 40 EJEB N#C/C(=N/Nc1cccc2ccccc12)c1nc2ccccc2s1 4292821 XPXQVWPFRFWPJX-QJOMJCCJSA-N 328.400 4.789 30 40 EJEB N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCC2 16385118 ZCSCSVNIMWPMCJ-UHFFFAOYSA-N 342.229 4.865 30 40 EJEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2/C(=N/Nc1ccccc1)C(F)(F)F 104028216 DMGQWPFEZYBJLJ-UOVGSVLASA-N 338.373 4.658 30 40 EJEB Cc1cccc(CSc2nc(N)c(C#N)c(C3CCCCC3)n2)c1 223662943 BNWKIFSGAGIEEH-UHFFFAOYSA-N 338.480 4.579 30 40 EJEB CC[C@@H]([C@H](C=O)c1ccc(OC)cc1)[C@@H](C)c1ccc(OC)cc1 888086479 UWBBNODFLSXEEO-IWMITWMQSA-N 326.436 4.816 30 40 EJEB CO/N=C1/C[C@@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 5696816 ICICCNLECZQTRT-APDGPGDQSA-N 343.430 4.743 30 40 EJEB CCC/C(=N\OCC)C1=C(OC)C[C@@H](C[C@H](C)SCC)CC1=O 16611452 MLOOJBXIFOAJIX-DWHBMJICSA-N 341.517 4.590 30 40 EJEB COc1ccc(/C=C(\C(=O)c2ccc(O)cc2)c2ccccc2)cc1 17421645 ZFODNKVBRIMZOB-QNGOZBTKSA-N 330.383 4.824 30 40 EJEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3ccccc3)ccc2s1 72229715 WJQRUNXZGGBHOM-MTJSOVHGSA-N 338.436 4.746 30 40 EJEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N/c1ccccc1 100299452 GLZWWWRACRQACE-MGZTUGRWSA-N 334.444 4.867 30 40 EJEB CC1(C)CC(=O)C([C@H](c2ccccn2)c2c[nH]c3ccccc23)=C(O)C1 72017 AUPZEDIZUFRANO-FQEVSTJZSA-N 346.430 4.896 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC 6656616 GMZBLDLVMUTXNN-UHFFFAOYSA-N 325.408 4.519 30 40 EJEB CN[C@@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)C1=O 12504588 NMIRKZWCHKQRAV-KETLNSEPSA-N 325.839 4.591 30 40 EJEB C=C(C)c1nc(C#N)c(N/N=C/c2cccc(OCCCCC)c2)o1 27562507 QPHSRDBOKDWRAI-FYJGNVAPSA-N 338.411 4.594 30 40 EJEB CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)c(C(=O)O)c1 409104685 DXZRSAFRTROXCN-OCKHKDLRSA-N 338.190 4.841 30 40 EJEB CCOc1ccc2ccccc2c1/C=N/c1ccc(NC(C)=O)cc1 131340 AHQGBSNVNTUWNY-HYARGMPZSA-N 332.403 4.948 30 40 EJEB Cc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C 191249 PAWFUCRKIGKJEY-UHFFFAOYSA-N 333.416 4.551 30 40 EJEB O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 578549 QZZAILZNINUTIG-UHFFFAOYSA-N 330.413 4.840 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1cccs1 5376778 CKIJMXLZADYIMD-LFIBNONCSA-N 336.441 4.793 30 40 EJEB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C[C@@]4(C)C(=O)C=CCC[C@]4(C)[C@@H]3CC[C@]12C 6293914 NOXYBWYMMIPAGH-NQNBFBDNSA-N 344.495 4.696 30 40 EJEB C[C@@H](C/C=N/N1CCCCC1)Nc1ccnc2cc(Cl)ccc12 6425777 VIJKAUNKFZAHMN-MNUWJXFPSA-N 330.863 4.550 30 40 EJEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccco1 6562724 CJHNODRRPUZTIY-UHFFFAOYSA-N 331.828 4.670 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C(C)(C)C)cc1 409075605 ZDHXLLWTXQMVRY-KQWNVCNZSA-N 336.479 4.880 30 40 EJEB CCOc1ccc2ccccc2c1/C=C1\C(=O)ON=C1c1ccccc1 409084750 WAVLBBCYJVKHOA-RGEXLXHISA-N 343.382 4.583 30 40 EJEB O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccc(Cl)cc1 340664 UGKSJDNLHVOGDT-UHFFFAOYSA-N 337.850 4.976 30 40 EJEB N#C[C@@H](C(=O)c1ccc(OC2CCCC2)cc1)c1nc2ccccc2o1 41539552 HTSOXJIIBNLGIH-KRWDZBQOSA-N 346.386 4.639 30 40 EJEB N#CCCN(c1cc(Br)ccc1F)C1CCCCC1 95915613 RBSHWLHGHKNEPF-UHFFFAOYSA-N 325.225 4.641 30 40 EJEB Cc1ccc(C)c(NC(=S)N/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)c1 102977821 YSAWMXPHSGLCDZ-XRVUZATCSA-N 327.497 4.568 30 40 EJEB C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OCC 107631766 YGUGLZAQLYMGJI-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB C[C@H]1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(Cl)c2)S1 497062 OALZAQZDTRGWSJ-QKRFLKLASA-N 348.830 4.744 30 40 EJEB Cc1ccc(S(=O)(=O)O[C@H]2CCCCC[C@@H]2c2ccccc2)cc1 1715757 HEMYTSVHMYKVRD-UXHICEINSA-N 344.476 4.817 30 40 EJEB N#Cc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1 5456329 KAXXHOYOBZORAB-UHFFFAOYSA-N 326.355 4.639 30 40 EJEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(Cl)c1Cl 5557009 VTWYHRKKVGPOEJ-LCYFTJDESA-N 349.242 4.885 30 40 EJEB Cc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C#N)c1C 14258583 ISZAFEIBGOUINM-UHFFFAOYSA-N 348.855 4.686 30 40 EJEB N#CCC[C@@](C#N)(c1ccccc1)C1CCN(Cc2ccccc2)CC1 33607451 DYAREKOTPJQVFN-HSZRJFAPSA-N 343.474 4.664 30 40 EJEB C=C(CCCN(Cc1ccccc1)Cc1ccccc1)C(=O)OCC 38342097 IFPWUVGACBPNMT-UHFFFAOYSA-N 337.463 4.588 30 40 EJEB in-vitro C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 78482894 RUUGOAHXKMWFSW-INIZCTEOSA-N 334.419 4.613 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccccc2)cc1 225481633 RYWYTJOZZCXEDM-SFHVURJKSA-N 326.465 4.689 30 40 EJEB C[C@H](Cc1ccccc1)Nc1ncc2c([nH]c3ccccc32)c1C#N 403659 WQRFOFAMLVLCFL-CQSZACIVSA-N 326.403 4.631 30 40 EJEB Cc1ccc(C(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 422247 JXPGAJCKNCNGDJ-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB COc1ccc(/C=N/Nc2ccccc2)cc1OCc1ccccc1 4920253 OCSNQSDYLMELNS-PXLXIMEGSA-N 332.403 4.720 30 40 EJEB O=C(O)c1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 4922330 FXLHLPRTPDRTIR-DNTJNYDQSA-N 342.704 4.503 30 40 EJEB CC(C)n1cc(/C=N/NCc2ccccc2Cl)c2ccccc21 8811994 RVISMFUOKMGIIG-WSDLNYQXSA-N 325.843 4.999 30 40 EJEB CC1(C)[C@@H]2CC/C(=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@]1(C)CC2 13405709 QBXNDHCLWAAXCS-LPCJAIRMSA-N 346.387 4.507 30 40 EJEB O=C(/C=C/c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1 16492952 DHFJLJTZNUMEOT-CCEZHUSRSA-N 328.367 4.948 30 40 EJEB Cc1nn2c(nc(Oc3ccccc3C#N)c3ccccc32)c1Cl 16737800 NVAKJLYKJCQGLF-UHFFFAOYSA-N 334.766 4.508 30 40 EJEB N#CCCCSc1ncnc2scc(-c3ccc(F)cc3)c12 36802576 SIWWRBLGWFTSLD-UHFFFAOYSA-N 329.425 4.893 30 40 EJEB O=C(/C(=C/c1csnn1)c1nc2ccccc2s1)c1ccccc1 44013624 SNRVQWUGWKYZTO-UVTDQMKNSA-N 349.440 4.571 30 40 EJEB COc1cc(N/C=C/C(=O)c2cc(C)ccc2C)c(OC)cc1Cl 44844623 JZJFVINHLXZKAT-BQYQJAHWSA-N 345.826 4.783 30 40 EJEB CCCCCCN(CCC#N)c1cc(Br)ccc1F 95915608 ISBMVLHLSXSKAW-UHFFFAOYSA-N 327.241 4.889 30 40 EJEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225042071 RECGMRAODKRJGO-UHFFFAOYSA-N 337.444 4.530 30 40 EJEB N#CC1(CC(=O)N2c3ccccc3C=Cc3ccccc32)CCOCC1 1615587670 PTEUKGIVFAPNSI-UHFFFAOYSA-N 344.414 4.546 30 40 EJEB N#Cc1ccccc1CSc1ccc(-c2nc3ccccc3[nH]2)cn1 1329787 RTTVIJUSAPNIGU-UHFFFAOYSA-N 342.427 4.789 30 40 EJEB N#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 6306217 MJGARCBAMJSXDH-UHFFFAOYSA-N 340.426 4.510 30 40 EJEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(F)F 15231462 FRQXQFPCRJDTNT-OQLLNIDSSA-N 334.343 4.626 30 40 EJEB CCCCCCC[C@@](O)(CCN1CCCCC1)c1ccc(O)cc1 98048922 JXTZUCWFMHMHGD-OAQYLSRUSA-N 333.516 4.816 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OCC 408530865 KLWQRXIPPXKTGU-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB CC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960388 FLDHDPFZFHPKLZ-WSDLNYQXSA-N 347.370 4.906 30 40 EJEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)c(OC)c1 411701 MXNJQCNOKBJBFU-OVMKCGGTSA-N 340.448 4.512 30 40 EJEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC(F)F 1107621 FRQXQFPCRJDTNT-DHDCSXOGSA-N 334.343 4.626 30 40 EJEB N#C[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@@H]21 3345014 LRFWRFJDCUXCJN-TZIWHRDSSA-N 345.471 4.673 30 40 EJEB Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 5617806 NERKTQZFNARWSS-DTLMQXIHSA-N 337.394 4.595 30 40 EJEB N#Cc1ccsc1NC(=O)CSc1cc(Cl)ccc1Cl 6949640 ZKUHXEHOUDTIEK-UHFFFAOYSA-N 343.260 4.657 30 40 EJEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccco1 12541852 NMEMEHVGGOVBHQ-HNENSFHCSA-N 328.437 4.670 30 40 EJEB Cc1cccc(/N=C/c2c(O)ccc3cc(Br)ccc23)n1 5740599 KVVRWQWBLNJPHD-VXLYETTFSA-N 341.208 4.762 30 40 EJEB N#Cc1ccccc1CSc1ncc(C(F)(F)F)cc1Cl 7990839 FIJXOVTVBURPDH-UHFFFAOYSA-N 328.746 4.918 30 40 EJEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 9089985 VACBGWNEWYEGKL-ZSEKCTLFSA-N 334.419 4.527 30 40 EJEB C=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 65749275 MCEFLECKQYMPMI-UHFFFAOYSA-N 345.826 4.701 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H]5O[C@@H]5C[C@]34C)[C@@H]1CCC21OCCO1 118914099 RCRKFBWQIMSUOE-LZIOYECESA-N 346.511 4.540 30 40 EJEB N#Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 216910927 JNWIXDRIZYKLCU-UHFFFAOYSA-N 340.579 4.692 30 40 EJEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\NC(N)=S 245241794 OXZJZRQUDLKMGF-HWKDNSSISA-N 347.572 4.608 30 40 EJEB C#CCOc1c(Cl)cc(-c2nc3ccccc3s2)cc1OC 409189576 QRVNGGYWZMJQBY-UHFFFAOYSA-N 329.808 4.637 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccccn2)c1C 409221172 LYAUILXIXUSLQL-WSDLNYQXSA-N 339.826 4.902 30 40 EJEB C[C@@H](CN(C)C)C(/C=C/c1ccc(F)cc1)=N/Nc1ccccc1 17175552 GRWKFHIELHESTI-SSBKYHMFSA-N 325.431 4.505 30 40 EJEB COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c(OC)c1 33378781 LDCOXBRRMMKHQS-YWEYNIOJSA-N 337.202 4.907 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224639125 NWGSYWPZANNDOJ-UHFFFAOYSA-N 329.399 4.756 30 40 EJEB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225842692 GVGXUALOEQRMRV-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB Cc1cccc(-n2cccc2/C=N/OCc2ccccc2C#N)c1C 408596224 QJCHPQKROOZLNY-OEAKJJBVSA-N 329.403 4.517 30 40 EJEB Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C 59339 RGLIWIXSLNXGMB-UHFFFAOYSA-N 325.220 4.796 30 40 EJEB C=C(C)COc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC 526848 YEMBGRFPXHWQMC-UHFFFAOYSA-N 341.432 4.742 30 40 EJEB biogenic CCc1cccc(CC)c1N/C=C/C(=O)c1ccc(OC)c(OC)c1 553828 ABRKQUNTZAGCBY-OUKQBFOZSA-N 339.435 4.637 30 40 EJEB O=C(/C=C/Nc1ccc(Cl)cc1)c1ccc(Br)cc1 5569363 GMSFAPKLCCDFSA-MDZDMXLPSA-N 336.616 4.911 30 40 EJEB CO/N=C1/C[C@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 5696414 ICICCNLECZQTRT-AKURBMMKSA-N 343.430 4.743 30 40 EJEB CC(/C=C1\S/C(=N/c2ccccc2C)NC1=O)=C\c1ccccc1 9046493 QCNACJOIUMGCHX-COVZNBLNSA-N 334.444 4.833 30 40 EJEB O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(Br)cc1 100661917 GMSFAPKLCCDFSA-KTKRTIGZSA-N 336.616 4.911 30 40 EJEB C[C@H]1CCC/C(=C/Nc2ccc(Br)c(Cl)c2)C1=O 409181732 FKDBAIYFVGFAQG-CUQRQBARSA-N 328.637 4.787 30 40 EJEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3O)c2C)cc1 409183441 CQUDWQQFPSWWBY-HMAPJEAMSA-N 334.419 4.949 30 40 EJEB CC(C)(CCC#N)CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 557984388 CGSZPLFBCZCRBE-CABCVRRESA-N 339.266 4.543 30 40 EJEB CCCCOC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565661208 ONHKYQOMTYOBQZ-UHFFFAOYSA-N 328.224 4.553 30 40 EJEB N#Cc1c(-c2ccsc2)cc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O 814509 RYOLYPLCFNZFFS-UHFFFAOYSA-N 347.226 4.949 30 40 EJEB CC(=O)[C@H](/C=N/OCc1cccc(C(F)(F)F)c1)c1ccccc1 5283739 HMWXUEXAYBJVBM-CBVHTYNASA-N 335.325 4.581 30 40 EJEB c1ccc(N/N=C2/C/C(=N\Nc3ccccc3)c3ccccc32)cc1 5873282 QSSNQDODUJUVDU-FXYBLIFYSA-N 326.403 4.723 30 40 EJEB Cc1nc(N/N=C/c2ccncc2)c2cc(-c3ccccc3)sc2n1 6685343 NWWICLRPPCQTRA-CIAFOILYSA-N 345.431 4.508 30 40 EJEB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 15029723 PKXUUXBVAUEILS-LBPRGKRZSA-N 330.840 4.525 30 40 EJEB CCN(CC)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 100007173 BVSCZWKUKSCRLK-XDHOZWIPSA-N 347.256 4.752 30 40 EJEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccccc2)c1 409201506 NXASADCRMKAQMH-HZHRSRAPSA-N 344.414 4.763 30 40 EJEB C=C[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 6744535 HQCWLYGJDWRLIV-ZZDIOYDHSA-N 341.451 4.655 30 40 EJEB N#CCOC(=O)c1oc2ccccc2c1CSCc1ccccc1 7432054 YWGCTJLFRRHSSY-UHFFFAOYSA-N 337.400 4.547 30 40 EJEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(O)cc1 58168431 BZWAQQHOHSGUDA-AWQFTUOYSA-N 328.721 4.901 30 40 EJEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225802687 CHJODSHBASTHMQ-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OCC 409205324 HCJSHFTWTXDHME-UHFFFAOYSA-N 333.790 4.502 30 40 EJEB Cc1ccccc1/N=C1\SCC(C)(C)N1C(=O)c1ccc(C#N)cc1 3287777 BPPHSWYIZFQWLF-QOCHGBHMSA-N 349.459 4.522 30 40 EJEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 4959437 SHVMYTQKYXOYAT-WFXMLNOXSA-N 347.414 4.776 30 40 EJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OCCC#N)[C@@]3(C)CC[C@@H]21 6268771 SKZOMAZQGJCCKH-YFNVTMOMSA-N 339.479 4.850 30 40 EJEB C=CCOc1c(Cl)cc(CNCc2ccc(C)cc2)cc1OC 7538258 UPUHBTDCBFEVQW-UHFFFAOYSA-N 331.843 4.512 30 40 EJEB C=CCOc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1OCC 8254449 PGSDBODLBKKHHL-UHFFFAOYSA-N 341.495 4.709 30 40 EJEB CCCn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10119147 GGMKLXOGTQVYNX-LPYMAVHISA-N 325.843 4.828 30 40 EJEB COc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1OC 13140773 SVRYLUBGJJZXLL-SOFGYWHQSA-N 336.309 4.619 30 40 EJEB O=C(/C=C\c1cccc(O)c1)c1ccccc1OCc1ccccc1 95930995 BIJOOERTNVCNLU-YPKPFQOOSA-N 330.383 4.867 30 40 EJEB Cc1ccc(-n2c(C)cs/c2=N\C(S)=N\c2ccccc2)cc1 100708649 XQRLQBPBQUWJJU-ZZEZOPTASA-N 339.489 4.674 30 40 EJEB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225840992 JDLFQKWLXNVASK-HXUWFJFHSA-N 346.471 4.515 30 40 EJEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(O)c2)cc1OC 409382187 LXEMXVJBCBPTMG-OEKFUPINSA-N 333.815 4.982 30 40 EJEB N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 7734780 SVOMFOSCNDPVOC-FQEVSTJZSA-N 346.817 4.731 30 40 EJEB Cc1ccc(SC(=O)C2=C(c3ccccc3)SCCO2)cc1 20745718 FPLCKVCJMJCUMZ-UHFFFAOYSA-N 328.458 4.746 30 40 EJEB CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 49915 WLBLEQMUQVQENT-CXUHLZMHSA-N 329.406 4.677 30 40 EJEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cccc(O)c1 1454957 AUANPDRAXNBDPG-UHFFFAOYSA-O 343.859 4.991 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 4289865 HRSZPSHGRCENCN-VMPITWQZSA-N 337.202 4.907 30 40 EJEB biogenic C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3ccccc3)cc21 4424895 YAYRMMKWPWHTGC-UHFFFAOYSA-N 335.403 4.685 30 40 EJEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1cccc2ccccc12 5352056 YDWCZZSUHVAUII-XTQSDGFTSA-N 345.398 4.746 30 40 EJEB CC1=C(C/C=C(\C)[C@@H](O)C#C[C@@]2(C)C=COCCO2)C(C)(C)CCC1 95611845 VPXQWWCWFOYTAT-WOOKUMAYSA-N 344.495 4.533 30 40 EJEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)cc1C 225885958 PGZSIIHBWLLDDJ-UHFFFAOYSA-N 335.382 4.539 30 40 EJEB CC(C)(C)C1CCC2(CC1)[C@H](C(=O)c1ccc(F)cc1)C2(C#N)C#N 481864 KNHCBGXWHJQQET-VDUSKEEQSA-N 338.426 4.894 30 40 EJEB CC(C)Cc1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1 994439 KYOAKISLWFGWIU-UHFFFAOYSA-N 344.867 4.780 30 40 EJEB c1ccc(/C(=N\Nc2nc3ccccc3s2)c2ccccn2)cc1 4587166 YAMFSZLGGBDHDG-RELWKKBWSA-N 330.416 4.556 30 40 EJEB in-vitro O=C1CCCC2=C1[C@H](c1ccccc1F)c1c(ccc3ncccc13)N2 4624741 URNOCWRHFLXXPE-OAQYLSRUSA-N 344.389 4.938 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@@H]2c1ccccc1 4741837 OKTIHISGPSWLGV-HXUWFJFHSA-N 343.430 4.694 30 40 EJEB CC(C)(C)c1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1 5917352 VWDHKCPKDRNTPG-UHFFFAOYSA-N 334.444 4.940 30 40 EJEB CC(=O)Nc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59248375 JQWLLSZXQUXQJY-FYJGNVAPSA-N 337.810 4.840 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccccc2Cl)cc1 225881281 WMAKXBSGLNEDSK-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB Cc1ccc(N(C)/N=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 408723907 ADPHPKXLPXAVOO-ATJXCDBQSA-N 342.398 4.538 30 40 EJEB CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(Cl)cc1C#N 609149951 ZQRGGOKPAFQVKX-UZLBHIALSA-N 340.854 4.816 30 40 EJEB N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCCC2 484034 SESNHDVPEIKYQU-MDZDMXLPSA-N 342.489 4.992 30 40 EJEB C=CCN(Cc1cccs1)Cc1c(O)ccc2ccc(OC)cc12 12979405 JPEXVZLHEXNHQY-UHFFFAOYSA-N 339.460 4.804 30 40 EJEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1cccs1 46085350 CZLIPSSNXOSHOW-DEDYPNTBSA-N 330.416 4.804 30 40 EJEB Cc1cccc(C)c1/N=C(\O)CN(C)Cc1coc(-c2ccccc2)n1 82049921 UNOKSKNUWXTLHL-UHFFFAOYSA-N 349.434 4.678 30 40 EJEB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928285 TXNRRTVCPLKVLB-BAASDRHESA-N 331.500 4.776 30 40 EJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1c(Cl)cccc1Cl 4471508 RIHNZTLQMVOPMT-NTEUORMPSA-N 349.242 4.885 30 40 EJEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1 6927208 LICHPXBTCADKIW-UKTHLTGXSA-N 349.242 4.885 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)O)c3)c2C)c1 15225849 OHSWYFIZLROIJA-UUYOSTAYSA-N 348.402 4.557 30 40 EJEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccs1 21006036 NFRLECVBWKBFLN-JXAWBTAJSA-N 327.430 4.613 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccccc2)cc1 33391540 PSPSFJNGPLNVJT-STZFKDTASA-N 347.374 4.620 30 40 EJEB CCCCCCN(CCC#N)c1ccc(Br)c(F)c1 95915915 JTIXJGCDUCTNTA-UHFFFAOYSA-N 327.241 4.889 30 40 EJEB Cc1ccccc1/N=C(/c1ccccc1)C1C(=O)c2ccccc2C1=O 102180805 ZCLPAQYHDXAQFS-FLFQWRMESA-N 339.394 4.811 30 40 EJEB COc1ccc(/N=C(/c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 104138443 FYPOXZRKCSCPRO-MRCUWXFGSA-N 332.359 4.773 30 40 EJEB C=C1C[C@H]2[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1688990 PNUPHAWFSSBOAI-RWKKZROESA-N 342.479 4.616 30 40 EJEB O/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2584084 BTTPSAYYBOVDKX-HYARGMPZSA-N 333.387 4.653 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4887092 GNFABWAPJFOZSF-KTORGGLSSA-N 328.496 4.970 30 40 EJEB biogenic,in-vitro CCCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OC 6880691 NBOCJEHSISGQBG-UDWIEESQSA-N 333.815 4.897 30 40 EJEB CN(C)c1ccc(/N=C2\Sc3ccc4ccccc4c3C2=O)cc1 16309897 KNCBHTMGCKZVOI-MRCUWXFGSA-N 332.428 4.924 30 40 EJEB C=CCOc1ccc(CNc2ccc(Br)cc2C)cc1 21058655 YKPASUGNPODKBP-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB Cc1nc(C(F)(F)F)ccc1C(O)=Nc1ncc(C(C)(C)C)s1 330919720 OGTLFGSVABXSMA-UHFFFAOYSA-N 343.374 4.799 30 40 EJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@@H]4CC)[C@H]3C[C@H]12 4028571 BYMRGAVEJANVRN-ZJGVECAJSA-N 345.527 4.565 30 40 EJEB biogenic CCCCCCCCc1ccc(CC[C@]2(CO)COC(C)=N2)cc1 72399730 XJDZZSDQLOHNAO-NRFANRHFSA-N 331.500 4.702 30 40 EJEB in-vitro CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O 85891448 QJIXVOQAEZMUIH-GOSISDBHSA-N 339.520 4.899 30 40 EJEB Cc1c(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cccc1C(=O)O 409016989 CMUFZJWCFLDNAQ-WSDLNYQXSA-N 330.343 4.576 30 40 EJEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(F)cc1 409051208 JFIJJRYQIIXGGW-FXBPSFAMSA-N 339.391 4.691 30 40 EJEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(F)c(C)c1 409245946 BGQGLYXFRVBUMY-HYARGMPZSA-N 326.415 4.884 30 40 EJEB O=C(c1ccccc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575359112 UBRMCOBBBSJKAN-UHFFFAOYSA-N 342.132 4.721 30 40 EJEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)O)c3)c2C)c1 4712267 OHSWYFIZLROIJA-WSDLNYQXSA-N 348.402 4.557 30 40 EJEB C=CCOc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1 10118998 KRFHLSISLDMEIP-CIAFOILYSA-N 335.234 4.682 30 40 EJEB CN(C)c1ccc(/C=C2/CCC(=C3SCCCS3)C2=O)cc1 33312400 SAHMZVXKPYDPGX-OWBHPGMISA-N 331.506 4.581 30 40 EJEB O=C1C2=C(N=C3CCCC(O)=C3[C@H]2c2cccs2)c2ccccc21 102682024 RUDCQSLONISTIG-QGZVFWFLSA-N 333.412 4.890 30 40 EJEB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257346455 HMPWCNANWMGWIQ-GIOXHAKZSA-N 345.483 4.711 30 40 EJEB C=CCc1cc(/C=N\c2cccc(OCC)c2)cc(OCC)c1O 408855021 CMTQXACQCAOJFN-STZFKDTASA-N 325.408 4.669 30 40 EJEB C[C@H](Cc1c[nH]c2ccc(Cl)cc12)/N=C/c1ccc(N(C)C)cc1 53117 OLMYSIMMFFTHPX-LVCXCXRVSA-N 339.870 4.937 30 40 EJEB Cc1cc(C)c2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1 410668 NBBUVZJRCAISIC-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(F)cc(F)c2)cc1 51318541 BITSMVDHGCYPHR-CMDGGOBGSA-N 331.362 4.952 30 40 EJEB CCC(CC)CN(CCC#N)C(=O)c1cc(Cl)sc1Cl 75583900 YHCSTYXGACFHAJ-UHFFFAOYSA-N 333.284 4.847 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225538060 VRGNSUXLWJYPDD-INIZCTEOSA-N 340.492 4.916 30 40 EJEB C=CCOc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 408575793 RRKPNLNWDQZWEJ-UHFFFAOYSA-N 327.449 4.681 30 40 EJEB Cc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 344018 GTIRMXNUAWBMSE-UHFFFAOYSA-N 338.414 4.670 30 40 EJEB C[C@@H](C/C=N\N1CCCCC1)Nc1ccnc2cc(Cl)ccc12 5179572 VIJKAUNKFZAHMN-LKEIMFIWSA-N 330.863 4.550 30 40 EJEB C=CCOc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1 6312967 RIZQRGZVHGIONL-RMKNXTFCSA-N 332.359 4.878 30 40 EJEB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cccc(C#N)c1 24458163 ARSFKQASQUWQSJ-NSHDSACASA-N 333.218 4.698 30 40 EJEB COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cn1 223497402 FOSJYTRGQQYVQU-UUYOSTAYSA-N 335.451 4.781 30 40 EJEB N#Cc1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCC2 146273 HKNQVPNFSMEJHV-UHFFFAOYSA-N 346.455 4.833 30 40 EJEB O=C(O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 182359 TUTOSSAWRZMQLM-WQRHYEAKSA-N 348.379 4.974 30 40 EJEB Cc1occc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2741712 MXXCIKAZOCMTLV-GFCCVEGCSA-N 342.464 4.925 30 40 EJEB N#Cc1ccc(OCCOc2ccc(Oc3ccccc3)cc2)cc1 3177225 OWOINAMHJJMSKI-UHFFFAOYSA-N 331.371 4.808 30 40 EJEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O 9050770 VPNMRCINUBXEDU-JAIQZWGSSA-N 336.387 4.656 30 40 EJEB biogenic C=CCN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 14250064 AJLHRHBAAWOXOT-UHFFFAOYSA-N 328.824 4.783 30 40 EJEB C=CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 14396757 DEOZVOYGDNIYEJ-UHFFFAOYSA-N 345.826 4.703 30 40 EJEB N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)cc2)cc1 24522136 NFKDMAFYJZKJSE-UHFFFAOYSA-N 337.338 4.886 30 40 EJEB CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(C#N)c2ccccc21 226362131 PYPFYKXURNXLKQ-UHFFFAOYSA-N 338.794 4.664 30 40 EJEB C=CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408559981 XNLJEXVERNHNFO-GOSISDBHSA-N 345.851 4.683 30 40 EJEB CC(C)n1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 408595891 XRPVJILEGSQIKI-RGVLZGJSSA-N 337.379 4.681 30 40 EJEB N#Cc1c(/N=C/c2c[nH]nc2-c2ccccc2)sc2c1CCCC2 132868 KFIRXJJUGJRCSR-SRZZPIQSSA-N 332.432 4.639 30 40 EJEB N#Cc1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 4544243 QZTCINRPFGONKZ-CIAFOILYSA-N 344.399 4.874 30 40 EJEB CCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)c(Cl)c1 4600139 LFBNSGULXRERCQ-UHFFFAOYSA-N 329.783 4.610 30 40 EJEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Cl)c1 6844366 LOYNWHFKIKIWEG-NSHDSACASA-N 344.867 4.959 30 40 EJEB COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccccc2)o1 408625482 YHSYTXARBMVFCR-ACCUITESSA-N 332.355 4.629 30 40 EJEB COc1cccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 3191678 BWKISCUENBIKEV-LPYMAVHISA-N 344.370 4.960 30 40 EJEB N#CCSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 5994466 BWVAQVNTSDQODL-UHFFFAOYSA-N 340.433 4.690 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1 20482861 FHNCWSKWPIGGDW-SFHVURJKSA-N 345.826 4.701 30 40 EJEB Oc1cccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 59483126 MFRUIIKYHJYPIA-HZHRSRAPSA-N 339.398 4.996 30 40 EJEB CCCCCCCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=N 100804286 HFAZLBFPKRHHKY-UHFFFAOYSA-N 349.500 4.556 30 40 EJEB C=C1Nc2ccccc2N=C(O)[C@@H]1Sc1nc2ccccc2s1 101181514 ZARFQBUXZJKJJF-OAHLLOKOSA-N 339.445 4.984 30 40 EJEB CCCCCCCCCCCCNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102205708 AUOUVIGDPICYMP-VJANTYMQSA-N 349.515 4.546 30 40 EJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 224676188 PTGCWBUZRHGKRE-UHFFFAOYSA-N 349.455 4.735 30 40 EJEB Cc1ccc(C)c([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 408757089 WPMYNDQZXCDLSX-LLGFUMIMSA-N 345.402 4.910 30 40 EJEB Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1[N+](=O)[O-] 409370797 BGYRTMNVJXHSMD-LFIBNONCSA-N 345.354 4.986 30 40 EJEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 4860085 JNOXKKJQSPDODB-YDZHTSKRSA-N 346.337 4.655 30 40 EJEB O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)Cc2ccccc2)cc1 5020052 XLEJNUZHAKOELD-UHFFFAOYSA-N 345.402 4.848 30 40 EJEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 6204572 RSZCIBBFFJFUHL-UHFFFAOYSA-N 335.476 4.656 30 40 EJEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 10118933 UZTRRAKQTCSEGI-OEAKJJBVSA-N 337.854 4.871 30 40 EJEB O=C(/C=C1\c2ccccc2C(=O)N1c1ccccc1)c1ccccc1 29763501 HNPPNMLFHDBYPJ-HMMYKYKNSA-N 325.367 4.571 30 40 EJEB C=CCOc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 60512764 VEKPUIMOWQPPJY-UHFFFAOYSA-N 347.867 4.777 30 40 EJEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)O)c3)c2C)cc1 408739442 WFPFTOCOASMSGF-WSDLNYQXSA-N 348.402 4.557 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccccc3)o2)cc1 408996698 MPGVJOMGVSJHIE-LDADJPATSA-N 339.376 4.785 30 40 EJEB C=CCn1c(SC(C)C)nc2scc(-c3ccccc3)c2c1=O 2622885 NDJTUSNANRRTAL-UHFFFAOYSA-N 342.489 4.812 30 40 EJEB Oc1ccc2ccccc2c1/C=N/c1c(F)c(F)c(F)c(F)c1F 3233781 GOMGFAUQXWWUJL-HCGXMYGOSA-N 337.247 4.992 30 40 EJEB C(=N/c1ccc2c(c1)OCO2)\c1ccc(OCc2ccccc2)cc1 3525500 XCCLPJGIGBLBMR-LPYMAVHISA-N 331.371 4.745 30 40 EJEB Brc1cccc(/C=N/Nc2nc3ccccc3s2)c1 4828703 VCJLQJPSEKWOJU-CXUHLZMHSA-N 332.226 4.505 30 40 EJEB N#Cc1ccc(-c2ccccc2)nc1SC(=O)c1ccc(F)cc1 6045669 HXSQKCFSGNOQPE-UHFFFAOYSA-N 334.375 4.692 30 40 EJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)c1 8410967 IUMDVBHPFBUPIY-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB C/C(=N\CC(=O)[C@@]1(C)CC(C)(C)Cc2ccccc21)c1ccccc1 16136701 AFLOLGFZTKRDCW-HHEUTOACSA-N 333.475 4.995 30 40 EJEB CCOc1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21 16920938 AYUPSBQGSWMVGM-HAHDFKILSA-N 326.399 4.937 30 40 EJEB CC(C)c1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 20827379 LXXVBHASEQYAGL-UHFFFAOYSA-N 335.451 4.540 30 40 EJEB C=CC[C@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 27242224 OJCUFKWOJKXXPD-PKTZIBPZSA-N 335.491 4.720 30 40 EJEB CCc1sc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1C 41556565 MCEBRGLSMSCYHV-NSHDSACASA-N 338.354 4.523 30 40 EJEB C#CCOc1ccc(Br)cc1CNc1ccc(C)c(C)c1 41640982 LRHPARLHEQEIEC-UHFFFAOYSA-N 344.252 4.690 30 40 EJEB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225825745 RMALFZZZURZVOU-FOIQADDNSA-N 346.471 4.659 30 40 EJEB N#Cc1cc(N)c(Oc2ccccc2)n1Cc1cccc2ccccc12 225879010 SSKRLKGJUIQFSC-UHFFFAOYSA-N 339.398 4.936 30 40 EJEB CCOc1ccccc1/N=C\c1cccn1-c1ccc(N(C)C)cc1 408954255 SDSGAKNDWREXCM-JWGURIENSA-N 333.435 4.693 30 40 EJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(F)cc2F)o1 408959791 GAGCFVRRORKNCG-LSHDLFTRSA-N 341.313 4.982 30 40 EJEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H]1CO1 3227431 CAEYOAHHWYBZDZ-KRWDZBQOSA-N 344.439 4.778 30 40 EJEB CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932933 YYUZCVKFYYSLNG-LHGBJJBYSA-N 342.523 4.599 30 40 EJEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408856148 PLRBPYVQNDENFN-KEBDBYFISA-N 342.782 4.789 30 40 EJEB Cc1cccc(C)c1/N=C1\S[C@H](C)CN1C(=O)c1ccc(F)cc1 495448 NSRWFEUAACDLIG-DIGCTUSJSA-N 342.439 4.708 30 40 EJEB C=CCn1c(SC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 3902131 JKFQHTCXZACHMZ-NSHDSACASA-N 348.537 4.517 30 40 EJEB CS/C(=N\C#N)SCSc1nc2cc(Cl)ccc2s1 15441948 WCADWUIDMUAELF-GXDHUFHOSA-N 345.927 4.933 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(C)n2)o1 27983933 AWKBTJXDBBRQRW-UHFFFAOYSA-N 348.402 4.543 30 40 EJEB N#Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12 59109390 VASGTPXCHWXRKE-UHFFFAOYSA-N 345.627 4.977 30 40 EJEB O=S(=O)(c1ccccc1)[C@H]1CCCCCCCCCC/C1=N/O 100948620 VUVNVXNGNZOYAH-VZCCSQPZSA-N 337.485 4.574 30 40 EJEB Cc1ccc(C(C)C)c(OCC(=O)n2cc(C#N)c3ccccc32)c1 226362175 PKZDZMRCIZYLIO-UHFFFAOYSA-N 332.403 4.664 30 40 EJEB C=CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 408567760 RETJCJFLVJBOKI-UHFFFAOYSA-N 333.840 4.636 30 40 EJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3 477453 QNZMPJRSPMFHDV-UHFFFAOYSA-N 346.521 4.581 30 40 EJEB COc1cc(/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC 4703536 VBYQYJRYGVYGKT-DJKKODMXSA-N 340.206 4.770 30 40 EJEB Cc1cc2sc(NC(=O)c3ccc(C#N)cc3F)nc2cc1Cl 4813885 XGHYLJFQEROOFZ-UHFFFAOYSA-N 345.786 4.521 30 40 EJEB N#Cc1c(NC(=O)Nc2ccc(F)c(Cl)c2)sc2c1CCC2 27923031 YDJZAHUGYZCFBA-UHFFFAOYSA-N 335.791 4.545 30 40 EJEB Cc1ccccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 408753690 BODLJPFPPPAFBP-UHFFFAOYSA-N 341.410 4.865 30 40 EJEB CCOC(=O)c1ccc(N/C(Cc2ccccc2)=N/C(C)(C)C)cc1 1572361 VPPGXGUKLWRARN-UHFFFAOYSA-N 338.451 4.715 30 40 EJEB CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 2740579 BMQFSUONYZUVER-NSHDSACASA-N 328.412 4.526 30 40 EJEB CCOc1cccc(/C=N/N=C(c2ccccc2)c2ccccc2)c1O 3244614 YZQSZKJCXNYPEU-XQNSMLJCSA-N 344.414 4.662 30 40 EJEB O=C(/C=C/c1ccco1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 5594045 XXIDJBJIWXDWAQ-VAWYXSNFSA-N 343.386 4.664 30 40 EJEB N#Cc1ccccc1OCc1nc2ccccc2nc1-c1ccccc1 16492043 FFEXBTBOCWUQOM-UHFFFAOYSA-N 337.382 4.747 30 40 EJEB CC(C)(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1 19943356 VLJUTBYQKPFNRT-UHFFFAOYSA-N 325.481 4.830 30 40 EJEB Cc1ccc(/C=C(\C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 26963558 ZQPSABHFJCHEGB-QGOAFFKASA-N 340.382 4.955 30 40 EJEB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CCC#N)cc1C 27389604 ICODRLDXBRETTE-UHFFFAOYSA-N 344.462 4.502 30 40 EJEB CC#C[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932934 YYUZCVKFYYSLNG-QKRLIBHQSA-N 342.523 4.599 30 40 EJEB Cc1ccc2nc(Cl)c(/C=N/Nc3nc4ccccc4[nH]3)cc2c1 5456859 BWQBBQNREFRABT-KEBDBYFISA-N 335.798 4.519 30 40 EJEB CCCCCCCCCC(=O)Nc1cc(OC)c(OC)c(OC)c1 102998358 BQGCVZQJFUYVJA-UHFFFAOYSA-N 337.460 4.792 30 40 EJEB CCCN1C2=C(C(=O)CCC2)C(c2ccccc2)C2=C1CCCC2=O 409029808 BOGKIVKJWVCDSK-UHFFFAOYSA-N 335.447 4.510 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409102554 YOZZEYPXLSGBLJ-CAOOACKPSA-N 325.151 4.661 30 40 EJEB C=CCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 2372126 PTYVDSBULLRGLW-UHFFFAOYSA-N 344.436 4.966 30 40 EJEB Fc1cccc(CO/N=C/c2cccnc2Sc2ccccc2)c1 5485966 HTAMXKBHHITBHE-LPYMAVHISA-N 338.407 4.923 30 40 EJEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 44085344 RLGKYFMNWTUOIB-UHFFFAOYSA-N 337.404 4.726 30 40 EJEB C=C1C[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 245240394 PUCXZBGPUPYKFE-SOJYOXCPSA-N 342.479 4.616 30 40 EJEB Cc1c(Cl)cccc1/N=C/c1cccn1-c1cccc(C(=O)O)c1 409109189 ZIBDPEZDOOBEPB-CIAFOILYSA-N 338.794 4.888 30 40 EJEB COc1ccccc1/N=C(\Nc1ccccc1OC)c1ccccc1 5586844 IPGONCHFHQWLHY-UHFFFAOYSA-N 332.403 4.894 30 40 EJEB CCOc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 8993157 KOXIGOMIBVZUGO-YBFXNURJSA-N 333.387 4.502 30 40 EJEB CC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1ccc(F)cc1 102531898 LVJJOUWNELMEMX-GOSISDBHSA-N 333.362 4.558 30 40 EJEB Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccc(C)c(C)c2)c1 225885812 ATDFLZVKRNHNAO-UHFFFAOYSA-N 331.419 4.708 30 40 EJEB CCN1C(=O)/C(=C\c2ccsc2)S/C1=N/c1ccc(F)cc1 409250357 NIAVRQJVWCACTQ-QNVRJZFTSA-N 332.425 4.511 30 40 EJEB COc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1O 569785 JUPWPHOBUVBQLK-FYJGNVAPSA-N 344.842 4.795 30 40 EJEB CCCCC(=O)Nc1ccc(/N=C/c2cccc(C)c2O)cc1OC 32115278 PHMAAMRTGDZJLC-FYJGNVAPSA-N 340.423 4.589 30 40 EJEB CC(C)=NNc1nc2cc3nc(NN=C(C)C)sc3cc2s1 57327719 HIQXKPKOWLZIOD-UHFFFAOYSA-N 332.458 4.521 30 40 EJEB COC(=O)c1c(C)[nH]c(/C=N/c2ccc(F)cc2)c1-c1ccccc1 100277466 ZTDYFUXCTUZVGI-WSDLNYQXSA-N 336.366 4.666 30 40 EJEB CC1(C)[C@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)C3(C)C)CC2=O 217919485 SFECAJQDNFQEIJ-WSLSKPQFSA-N 345.483 4.517 30 40 EJEB COC(=O)c1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1 1101715 BPCFECVVFDKEGJ-SSDVNMTOSA-N 348.358 4.565 30 40 EJEB C=C(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 5817043 PUOLEECIASKZRN-LLVKDONJSA-N 348.537 4.848 30 40 EJEB COc1cccc(/C=N/OCc2ccc(C(C)(C)C)cc2)c1OC 60386619 RGPRICQQQGCBFA-FYJGNVAPSA-N 327.424 4.552 30 40 EJEB CSc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 4517504 ACSFCZAHTCUVLX-UHFFFAOYSA-N 342.489 4.863 30 40 EJEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1O 6958602 PEIZBOUGSQMVMQ-VCHYOVAHSA-N 334.213 4.612 30 40 EJEB Cc1oc(C)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1C 12773778 ZIQZIYGGIACIPV-UHFFFAOYSA-N 329.399 4.857 30 40 EJEB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 13733980 LVHKDYCKMFWSST-HNNXBMFYSA-N 349.217 4.854 30 40 EJEB O=C(NC1CC1)c1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 40059712 FMSVMXUNHOPJEY-XNTDXEJSSA-N 341.410 4.628 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225478267 BWRAAVFQHRMGIO-INIZCTEOSA-N 340.492 4.916 30 40 EJEB CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1C 225714782 KYQOUYVHCCAVBK-IBGZPJMESA-N 337.492 4.807 30 40 EJEB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225820638 CZKZGLFZMSTAQZ-YWZLYKJASA-N 346.471 4.515 30 40 EJEB Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccccc2Cl)c1 225854224 KZSZXWPDZKYQDU-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB CCCCCCCNc1ncnc2c1[nH]c1ccc(OCC)cc12 2412547 JOBXXGGMYUMEFS-UHFFFAOYSA-N 326.444 4.892 30 40 EJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3)S2)cc1 5376264 GLKNQDYZBGHKQJ-JXAWBTAJSA-N 336.460 4.921 30 40 EJEB COc1ccccc1/C(C)=N/Nc1nc(-c2ccccc2)c(C)s1 7036930 AMHPTBWDMAKUIJ-FYJGNVAPSA-N 337.448 4.963 30 40 EJEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1Cl 11953383 WTNQGRZQCWFAFQ-OCKHKDLRSA-N 340.206 4.779 30 40 EJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Cl)cc1 33957696 MCRLDSUHKXFNID-UFWORHAWSA-N 343.692 4.713 30 40 EJEB N#Cc1c(Br)cccc1SC(F)(F)C(F)(F)F 36533724 QPXGBHYGNUUZCD-UHFFFAOYSA-N 332.091 4.568 30 40 EJEB CCc1sc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1C 41556567 MCEBRGLSMSCYHV-LLVKDONJSA-N 338.354 4.523 30 40 EJEB Oc1ccc(Br)cc1/N=C/c1c(O)ccc2ccccc12 100370891 YZENCXVFKUORRQ-VXLYETTFSA-N 342.192 4.764 30 40 EJEB N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccc(F)cc1 225881983 FYIFQLWXBKJYPU-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409139626 BQZVJVSCOYHSFC-LGVXEURYSA-N 340.442 4.926 30 40 EJEB Fc1ccc(-c2cnn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1 5896279 VDNPPAGTZNJSAO-UHFFFAOYSA-N 349.209 4.573 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1cccc(F)c1 35647323 BQSIKVSWVPERDG-LDADJPATSA-N 348.402 4.871 30 40 EJEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1scnc1C 41700005 CDRIRLUETKLBKQ-UBKPWBPPSA-N 335.647 4.643 30 40 EJEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 408961083 QXORYCSLIBPDBA-UDWIEESQSA-N 343.814 4.907 30 40 EJEB C[C@]1(c2ccccc2)O[C@H]1C(=O)N(c1ccccc1)c1ccccc1 5395704 JPQOSLFMZWFPKG-RBBKRZOGSA-N 329.399 4.666 30 40 EJEB COc1ccc(O)c(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1 6145620 UZETUPWBRTXHOC-DNTJNYDQSA-N 344.720 4.519 30 40 EJEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 6186658 LTOGBPXOGJRUSK-UHFFFAOYSA-N 349.217 4.661 30 40 EJEB CCCOc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1 10118996 ZMSHYPQVKMUACS-CIAFOILYSA-N 337.250 4.906 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20452449 QELXRLMLRIDAAO-MRXNPFEDSA-N 339.435 4.781 30 40 EJEB COc1ccc(N(Cc2ccc(C#N)cc2)Cc2cccs2)cc1 58316281 XLGVBFZVGPAGQF-UHFFFAOYSA-N 334.444 4.835 30 40 EJEB C=C(Br)[C@](F)(CC(F)(F)C(F)(F)F)C(F)(F)F 100502130 DOXKLBHEFKYSES-SCSAIBSYSA-N 338.995 4.753 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/CC23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1 100528667 NJCJAKASTATRHD-KBTLLIGBSA-N 332.831 4.592 30 40 EJEB CC[N+](CC)(CC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103630360 ONCBCIHLRRHXFX-UHFFFAOYSA-N 348.273 4.721 30 40 EJEB C=CCSc1nnc(Cc2ccccc2)n1-c1ccc(CC)cc1 409104377 YNFYCTXOGOCILA-UHFFFAOYSA-N 335.476 4.699 30 40 EJEB Brc1ccccc1-c1ccc(/C=N/N2CCCCC2)o1 8084569 NWKVDDWNTYIARP-LDADJPATSA-N 333.229 4.529 30 40 EJEB C=CCOc1c(Cl)cc(CNCCCCCCC)cc1OC 102568114 IJXFRZMGCLLCOL-UHFFFAOYSA-N 325.880 4.973 30 40 EJEB COc1ccc(Br)cc1/C=N/Nc1ccccc1Cl 4921710 VDWRYMWFPUKUDH-RQZCQDPDSA-N 339.620 4.557 30 40 EJEB COc1cc(C(=O)/C=C/c2ccc3ccccc3c2)cc(OC)c1OC 6549264 GNRAEXLCGFMDGE-PKNBQFBNSA-N 348.398 4.762 30 40 EJEB Cc1sc(NC(=O)CCCSc2ccc(F)cc2)c(C#N)c1C 10218145 HBLBJHUAMLUJKW-UHFFFAOYSA-N 348.468 4.887 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 44880268 OQLQHLZILPGTAK-LJQANCHMSA-N 339.435 4.664 30 40 EJEB C=CCOC(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1 216793482 OQWNLHNDVBKYCA-UHFFFAOYSA-N 329.355 4.991 30 40 EJEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S 253497844 OXZJZRQUDLKMGF-KCJQPRJASA-N 347.572 4.608 30 40 EJEB CC(C)(C)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409034779 OCZIUAKGAUTDJM-UYOCIXKTSA-N 344.274 4.698 30 40 EJEB CC(C)Oc1ccc(Cl)cc1/C=N/NCc1ccccc1Cl 8811763 JTUOTLYCQLJTMM-SRZZPIQSSA-N 337.250 4.904 30 40 EJEB CCn1c(N/N=C/c2c(C)n(CC)c3ccccc23)nc2ccccc21 408692196 GVKJHGHIMJCBDK-HYARGMPZSA-N 345.450 4.785 30 40 EJEB O=C(C=C(C(F)(F)F)C(F)(F)F)c1cccc(C(F)(F)F)c1 1623690 IASITMHDNPWICR-UHFFFAOYSA-N 336.153 4.939 30 40 EJEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc(C)c(C)c2C#N)c1 9142088 MHRFFVKCQWMYCJ-UHFFFAOYSA-N 342.464 4.686 30 40 EJEB CCOc1ccc(N=C(Nc2ccc(OCC)cc2)SC)cc1 12575842 VXIDJFZFLJWQHA-UHFFFAOYSA-N 330.453 4.947 30 40 EJEB CCc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 44974986 MNYQQGIHFACOKU-VAWYXSNFSA-N 330.225 4.820 30 40 EJEB N#CCCCOc1cccc(CN[C@@H](c2ccccc2)c2ccco2)c1 69452988 AOSFXUWKXIOTPS-QFIPXVFZSA-N 346.430 4.841 30 40 EJEB COc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 83895 GBIFOCOLAFOSBC-UHFFFAOYSA-N 325.755 4.619 30 40 EJEB CCC[N+](CC#Cc1ccccc1)(CC#Cc1ccccc1)CCC 1836488 DFIQUMULEJTNEH-UHFFFAOYSA-N 330.495 4.727 30 40 EJEB O/N=C/c1cccc[n+]1Cc1ccc2ccc3cccc4ccc1c2c34 6322734 AGJAQBXBCWTMJP-UHFFFAOYSA-O 337.402 4.728 30 40 EJEB C(=N/Nc1nc2ccccc2[nH]1)\c1cccc(OCc2ccccc2)c1 12967224 CLHJENPGKXDWNL-HYARGMPZSA-N 342.402 4.588 30 40 EJEB CN1C/C(=C/C=C\c2ccccc2)C(=O)/C(=C/C=C\c2ccccc2)C1 31841016 UZMNXCUMVFUXQA-YQMIMUSFSA-N 341.454 4.781 30 40 EJEB C/C=C/[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671174 RYUIEKVXZQICBY-FSSWKIGTSA-N 326.105 4.598 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 216886900 GBICONRGUFQVMQ-FMIVXFBMSA-N 328.795 4.661 30 40 EJEB N#CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 2313310 FAGAAFRIKKKLDW-UHFFFAOYSA-N 334.206 4.946 30 40 EJEB Cc1cc(/N=C(/c2ccccc2)C(F)(F)F)n(-c2ccccc2)n1 3345122 IRRKBBWQOQVQNQ-XLNRJJMWSA-N 329.325 4.864 30 40 EJEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(O)c1 59489029 ZEPDBRNADHNUEH-SDNWHVSQSA-N 346.224 4.743 30 40 EJEB N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2Cl)c(F)c1 84502446 QXIYZPUXBGTLMV-KRWDZBQOSA-N 328.818 4.558 30 40 EJEB N#C[C@@H](C1=NC=CC[C@@H]1C(F)(F)F)c1cccc(C(F)(F)F)c1 95921856 MCLQCZOGSQKPGN-NEPJUHHUSA-N 332.247 4.849 30 40 EJEB COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2ncc(C)o2)cc1 390833916 OTAUUTXWSKOCQY-AWEZNQCLSA-N 349.390 4.829 30 40 EJEB C#CCN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409046275 JSUVNZMKPDUWNE-CPNJWEJPSA-N 343.407 4.663 30 40 EJEB COc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 409069665 WTBVYWRKVMTZTR-CAOOACKPSA-N 325.151 4.661 30 40 EJEB COc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)ccc1O 3899951 WPDRIMHRSZBVJH-CNHKJKLMSA-N 345.613 4.807 30 40 EJEB Cc1cc(C(=O)N(C)C2(C#N)CCC2)c(C)n1-c1cccc(C(C)C)c1 72274614 BIAQCERENLLQSH-UHFFFAOYSA-N 349.478 4.736 30 40 EJEB COC1=CC(=O)S/C1=C\Nc1ccc(Oc2ccccc2)cc1 100318306 HCLPDERSWNQZSY-ATVHPVEESA-N 325.389 4.536 30 40 EJEB C=C(C)COc1cccc(C(=O)NCCCc2ccccc2Cl)c1 219786197 VZBCNRWERXBGSB-UHFFFAOYSA-N 343.854 4.658 30 40 EJEB C=CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OCC 408618893 HVWYGGJXWPVTAO-UHFFFAOYSA-N 339.435 4.773 30 40 EJEB Cc1ccc(N/N=C\c2c(C)nn(-c3ccc(C)c(C)c3)c2C)cc1 408997561 RUUXRDNKGOCGIZ-XKZIYDEJSA-N 332.451 4.860 30 40 EJEB CC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C[C@H]2c1ccccc1 4597890 SIJHDAJEDHLNAO-SFHVURJKSA-N 344.458 4.811 30 40 EJEB CCCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C)CC2 4620415 YAEBAHPKIALFPV-JTQLQIEISA-N 328.403 4.989 30 40 EJEB N#C[C@]12CCCC[C@@H]1C[C@@H]1CCCC[C@@]1(C#N)N2c1ccccc1O 4728591 NYPAPXFYOSDURV-ALFLXDJESA-N 335.451 4.507 30 40 EJEB O=C1NC(=N/c2ccc(O)cc2)/C(=C/c2ccc(Cl)cc2)S1 5766350 PSLJZOZHBMAAHQ-ZROIWOOFSA-N 330.796 4.573 30 40 EJEB Cn1cccc1[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 14198605 ARRRGEDQKDXFEV-QHCPKHFHSA-N 341.458 4.901 30 40 EJEB Cc1ccc(C2=NN=C/C2=N\Nc2cc(Cl)cc(Cl)c2)cc1 100136262 UWSTYGOSISPKLF-RCCKNPSSSA-N 331.206 4.558 30 40 EJEB Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1ccccc1O 510267 OPRBEUHVCMBMCC-WSDLNYQXSA-N 329.359 4.654 30 40 EJEB N#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl 3332419 UCLGJLSUZSJCPB-UHFFFAOYSA-N 339.609 4.700 30 40 EJEB O=C1ON(Cc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 5812878 IQXHEJKTOMMTKU-FQEVSTJZSA-N 330.387 4.759 30 40 EJEB Cc1cn2c(/C=C/C(=O)c3ccc(OC(F)F)cc3)c(C)nc2s1 12525348 IONILFGICUFVPL-BQYQJAHWSA-N 348.374 4.510 30 40 EJEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1 408741065 JXCFOUHGYYCXRM-HZHRSRAPSA-N 327.387 4.583 30 40 EJEB C#CCOc1ccc(CNc2ccc(CC)cc2)cc1Br 409112513 DEANSQPWNMBKND-UHFFFAOYSA-N 344.252 4.636 30 40 EJEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OC 409120551 WMXBKWGONVVEBS-UHFFFAOYSA-N 341.451 4.833 30 40 EJEB N#CC[C@H](c1ccccc1)[C@@H](C#N)c1ccc(Br)cc1 133209 QKWZIKYUZKFVBE-SJORKVTESA-N 325.209 4.754 30 40 EJEB COc1ccc(Br)cc1/C=C1/Sc2ccccc2C1=O 208116 BTOQFUWBQRVGDY-OQLLNIDSSA-N 347.233 4.787 30 40 EJEB Cc1ccc(-n2c(-n3cccc3)c(C#N)c3nc4ccccc4nc32)cc1 3171591 RMRHITZIVAQNEJ-UHFFFAOYSA-N 349.397 4.545 30 40 EJEB CCCCCCOc1c(Br)cc(/C=N\O)cc1OCC 11864746 SPPGMZXWANWPJV-BOPFTXTBSA-N 344.249 4.615 30 40 EJEB CCCCCCCCCCCC[N+](C)(C)CCOCCOC(C)=O 100925739 IGBQWAUWSRQKLG-UHFFFAOYSA-N 344.560 4.563 30 40 EJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(C(=O)OC)cc2)C1 408564268 XSXGUNOBUJZHCW-QJPKHSJYSA-N 329.440 4.574 30 40 EJEB Cc1ccccc1C(=O)O/N=C(/Cc1ccccc1)c1cccs1 409055346 YUAYVKYVUGBOMJ-UZYVYHOESA-N 335.428 4.860 30 40 EJEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCC 6959606 RYEGCZQRULMSPI-XDHOZWIPSA-N 348.240 4.997 30 40 EJEB Cc1ccc(C)c(NC(=S)N/N=C/C2=CC[C@@H]3C[C@H]2C3(C)C)c1 8025582 YSAWMXPHSGLCDZ-WKVLGULQSA-N 327.497 4.568 30 40 EJEB CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O 12504583 KQBLYDZKTIEVTF-HHNLSAEISA-N 331.868 4.653 30 40 EJEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N\Nc3ccccc3)o2)c1 34880242 IQARPZNXDMIXON-ODLFYWEKSA-N 341.754 4.954 30 40 EJEB C=C[C@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1 90000690 XISCYFFPXUEVNX-GFCCVEGCSA-N 348.215 4.887 30 40 EJEB COc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 483145 BSDYYCACJPSQQY-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB N#Cc1ccc(CSc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1 1329610 KEMWACFYBLTYON-UHFFFAOYSA-N 342.427 4.789 30 40 EJEB CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2[nH]1 4149605 UARPDTTYJTUWTI-FYJGNVAPSA-N 330.391 4.561 30 40 EJEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 5445425 BXKFCTPOIKRVLM-VXLYETTFSA-N 337.206 4.601 30 40 EJEB COc1ccc(-c2csc(SCc3ccc(C#N)cc3)n2)cc1 8492858 GFDFSQPQHYHNCA-UHFFFAOYSA-N 338.457 4.983 30 40 EJEB CCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OCC 33293365 UZXLYACFNOHFDY-PDGQHHTCSA-N 326.417 4.814 30 40 EJEB C=CCOc1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1 225316983 DDOGBDFWGQHYRI-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB CCCCCCCCCCCC1=C(O)C(=O)C(Cl)=C(O)C1=O 1590624 QKIGHHVLUPYKKJ-UHFFFAOYSA-N 328.836 4.880 30 40 EJEB CCO[P@](=O)(C#CC(C)(C)C)[C@](O)(c1ccccc1)C(F)(F)F 2317754 LOOMGBANYDMLRT-IQMFZBJNSA-N 348.301 4.716 30 40 EJEB COc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c(OC)c1 5210532 RUCUNQDXPDVSOR-CMDGGOBGSA-N 337.202 4.907 30 40 EJEB C=CCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 5791437 BOINAJVQPVNFJT-NRFANRHFSA-N 348.402 4.681 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)N2CCCCCC2)o1 28234436 WFTBWPMZZIBYNM-UHFFFAOYSA-N 339.435 4.603 30 40 EJEB N#Cc1ccc(CCC(=O)NCc2ccccc2-c2ccsc2)cc1 96122918 DXBHEPUNRJAKEM-UHFFFAOYSA-N 346.455 4.536 30 40 EJEB C=CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OCC 408616868 AHQJSVMSVRMGBG-UHFFFAOYSA-N 325.408 4.519 30 40 EJEB CC[C@@H](C)Oc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1Cl 409012802 KWLIGCHVULTSJX-ZICWZVMQSA-N 331.799 4.966 30 40 EJEB Cc1cc(O)cc(O)c1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 354850 GTAAISQGVGTZOT-WSDLNYQXSA-N 344.370 4.965 30 40 EJEB COc1cc(/C=C/C(=O)c2cc3ccccc3o2)c2c(c1)C[C@@H](C)O2 58308675 YPBDJPABXLSYNC-SBDDDAINSA-N 334.371 4.661 30 40 EJEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc([N+](=O)[O-])cc1C 108056103 ODQSXIUKJSKXPK-CIAFOILYSA-N 341.386 4.702 30 40 EJEB Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@H]1CCO[C@@H](C(C)C)C1 330176789 KGKZQDKJRJWIPS-DOTOQJQBSA-N 341.455 4.814 30 40 EJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2C)cc1 408910621 XIPUAMZGGBNCMB-PDFVYNHPSA-N 342.851 4.882 30 40 EJEB C=CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OCC 409116751 KDHJHLKYCFKSLR-UHFFFAOYSA-N 347.842 4.924 30 40 EJEB O=C(c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)C(F)(F)F 575242996 NXKQUCAVUCKKHG-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB COc1ccc(-c2nc(-c3cccc(C)c3)nc(Cl)c2C#N)cc1 1401431 RDRDINOENUTUAD-UHFFFAOYSA-N 335.794 4.653 30 40 EJEB aggregator CC(C)[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 5733595 OBTBUXZQFKXPLD-GBVBFFTMSA-N 337.423 4.959 30 40 EJEB Cc1cccc(Nc2nnc(SCc3cccc(C#N)c3)s2)c1 6057596 OQZRWGNDKPYWIJ-UHFFFAOYSA-N 338.461 4.754 30 40 EJEB Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)c[nH]c2c1 69565358 BZXBACSMNCDZLY-OAHLLOKOSA-N 345.427 4.505 30 40 EJEB Cn1/c(=N\N=C2/C=C3CCCC[C@@]3(C)CC2)sc2ccccc21 104314950 IUZHEHZKBGVLLY-UPWDDIDYSA-N 325.481 4.797 30 40 EJEB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225842943 NRXRLFUCOJXXJH-YWZLYKJASA-N 346.471 4.659 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N/c1cccc2ccccc12 409105201 HLQJTNVXFAQXPO-XQNSMLJCSA-N 330.431 4.735 30 40 EJEB CSc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 4517501 NVGQTQXLUSCYRO-NSHDSACASA-N 342.489 4.719 30 40 EJEB CSC(=N\c1ccccc1)/N=C(/SCc1ccccc1)N(C)C 18178722 ZSMIAGRBYIUYAJ-YAFCTCPESA-N 343.521 4.888 30 40 EJEB CCO[C@@H](c1ccc(C)cc1)c1c(C)oc2cc(C#N)c(C#N)cc12 78547663 XUQOEZRPQRNYAR-NRFANRHFSA-N 330.387 4.919 30 40 EJEB O=C(Nc1ccccc1)C(/N=N/c1ccccc1)=N\Nc1ccccc1 104038083 ZMMDZQUCKKVTPX-WDGDOUNGSA-N 343.390 4.835 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\O)[C@@]4(C)CC[C@H]32)C1 245240601 QLSVFSSDFUXCHZ-DFJPGPNDSA-N 345.483 4.711 30 40 EJEB biogenic,in-vitro CCCCOC(=O)/C=C/c1ccc(N=Cc2ccc(OC)cc2)cc1 299888280 CULYZFOOJBHBNM-CIZPVDQASA-N 337.419 4.802 30 40 EJEB Cc1ccc(C(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 4849063 UDHWCQTWPUQMIE-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 5517037 UFKLXJGXETUCHR-ODCIPOBUSA-N 331.700 4.729 30 40 EJEB C[C@@H](C#N)Oc1ccc(CNc2cccc(-c3nccs3)c2)cc1 89368645 NBUPXHLCXUHZEF-AWEZNQCLSA-N 335.432 4.713 30 40 EJEB CC(=O)[C@H]1C[C@@H](F)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925568 KAWQTQXJOMANFC-XCEZYFHXSA-N 332.459 4.672 30 40 EJEB C[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1 357831 ZNBKDZHODAQBRP-PLYKVXEXSA-N 348.830 4.744 30 40 EJEB C=C1c2cc3c(cc2C[C@@]12Cc1cc4c(cc1C2=O)CCC4)CCC3 5600895 MDELAXAHDNITFF-XMMPIXPASA-N 326.439 4.659 30 40 EJEB O=C1Nc2ccccc2/C1=N/c1cc(Cl)c(Cl)cc1Cl 18093546 UCUBITURNGSIBV-UHFFFAOYSA-N 325.582 4.720 30 40 EJEB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C 84671118 LTWQZVNMZDTDFL-RTWAWAEBSA-N 344.458 4.658 30 40 EJEB CC(=O)C1=C(C)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928541 CRCLPPBJMHAOFC-NJCVSEFDSA-N 330.512 4.905 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)CO5 118936610 QVWIWZCMRRDQQC-HSZHAZPASA-N 346.511 4.730 30 40 EJEB Clc1cc(N/N=C/c2ccccc2Cl)nc(-c2ccccc2)n1 4713166 XIAKAXCUFITRKG-RGVLZGJSSA-N 343.217 4.896 30 40 EJEB CCCCCCCCCCOC(=O)c1nnsc1Br 3770861 DWSRHVSPQCFOHJ-UHFFFAOYSA-N 349.294 4.598 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1 10372943 TUOQTMLUNIXIJI-UHFFFAOYSA-N 325.408 4.681 30 40 EJEB CCCCCCCCCCCCCCC[C@@H](O)C[N+](C)(C)CCO 14163551 GLZVNTUEYCEXGP-OAQYLSRUSA-N 344.604 4.897 30 40 EJEB Cc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 16348985 MRZNYKGTYSRAPB-HYARGMPZSA-N 346.386 4.950 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1 17023273 HZEUNSTWVBILMM-UFWORHAWSA-N 344.130 4.924 30 40 EJEB COc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1C(C)C 53278220 DBFVNKFPFUEEFB-UHFFFAOYSA-N 335.451 4.522 30 40 EJEB C=CCc1cc(/C=N/c2cc(Cl)ccc2OC)cc(OCC)c1O 59248917 MMQBWDUSYCRYKV-CIAFOILYSA-N 345.826 4.932 30 40 EJEB CC(C)N1C(=O)/C(=N/Nc2ccc(Cl)cc2Cl)c2ccccc21 100322628 RWWUVCLMXWKBOA-LTGZKZEYSA-N 348.233 4.565 30 40 EJEB N#Cc1ccc(-c2cccnc2)nc1SCc1cccc(Cl)c1 1476122 QNRZLZDLZSSTJK-UHFFFAOYSA-N 337.835 4.961 30 40 EJEB CCOC(=O)c1ccc2nc(/N=C/c3ccccc3Cl)sc2c1 17122077 NLAIBKYZEKEEEN-VXLYETTFSA-N 344.823 4.877 30 40 EJEB CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(N)=O)CCC[C@]3(C)[C@@H]2C[C@@H]1CC#N 5022278 GCVOAWDIEGWPIT-BEILGFHUSA-N 340.511 4.747 30 40 EJEB C=CC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34468117 XLZOWNDECGUSCQ-YRCTWBNTSA-N 330.512 4.617 30 40 EJEB biogenic N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1 36365601 VYMSBRBDWGKJAO-MRXNPFEDSA-N 348.793 4.521 30 40 EJEB CCCCCCCNC(=O)c1csc(Nc2ccc(C)cc2)n1 98045179 KACYOOATUNQORC-UHFFFAOYSA-N 331.485 4.895 30 40 EJEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\C=C1\C(=O)[C@@H]2CC[C@]1(C)C2(C)C 100366248 NYYAZKCVECQWJT-SQISFWQZSA-N 326.480 4.890 30 40 EJEB CCCCCCCCCCCCCCCN1CCS(=O)(=O)CC1 104188576 RGGCSZNHGYYJDI-UHFFFAOYSA-N 345.593 4.808 30 40 EJEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408738265 TUDYUEAVJUYQLW-YDZHTSKRSA-N 349.409 4.942 30 40 EJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CCCC)CCCC3 4141974 FCSZKPARJOWWOY-UHFFFAOYSA-N 348.537 4.805 30 40 EJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(F)cc1 4196784 DBCAPBGDHQSSQQ-UHFFFAOYSA-N 343.402 4.702 30 40 EJEB O=C1/C(=C2/Sc3ccc4ccccc4c3C2=O)Nc2ccccc21 100573289 RZJYEAXZXIJKCJ-JZJYNLBNSA-N 329.380 4.648 30 40 EJEB CCOc1cc(/C=N/O)ccc1OCc1ccc(Cl)c(Cl)c1 103851782 JKQYLWIWFUXHNG-DJKKODMXSA-N 340.206 4.779 30 40 EJEB CCC(=O)O[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)C1 245238517 SEFNHDCTTLMQJR-NBIPDHRESA-N 342.479 4.616 30 40 EJEB COC(=O)c1cc(/N=C\c2c(C)n(C)c3ccccc23)ccc1Cl 408854414 FJWNMUCIMXCSIB-NHDPSOOVSA-N 340.810 4.677 30 40 EJEB C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1)C(=O)O 408854454 GCBZGQVYRNBKBS-DWOMLUCJSA-N 338.190 4.596 30 40 EJEB C[C@H]1CCc2c(sc(/N=C/c3c[nH]nc3-c3ccccc3)c2C#N)C1 528422 JEHUJOKYLPOOJX-YSRRJJCPSA-N 346.459 4.885 30 40 EJEB O=C1C2=C(C(=O)c3ccccc31)C1c3ccccc3C2c2ccccc21 1666742 DEUQSDBVNPHENT-UHFFFAOYSA-N 334.374 4.653 30 40 EJEB CCCCN(CC#CC(O)(c1ccccc1)c1ccccc1)CCCC 1867267 PWBWKWUJKUKSQG-UHFFFAOYSA-N 349.518 4.828 30 40 EJEB Cc1cc(C)nc(N/N=C/c2c3ccccc3cc3ccccc23)n1 4872074 VBGYUPNVBCYBRJ-LPYMAVHISA-N 326.403 4.846 30 40 EJEB CCCOc1ccc(/C=N/Nc2cccc(C(F)(F)F)c2)c(O)c1 4923214 DVIKJYVLUWQRHE-SRZZPIQSSA-N 338.329 4.646 30 40 EJEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 59104361 WOBKHAAFHCKJCV-HYARGMPZSA-N 331.371 4.714 30 40 EJEB COc1ccc(/C=C(/C(=O)c2ccc(O)cc2)c2ccccc2)cc1 4963818 ZFODNKVBRIMZOB-RCCKNPSSSA-N 330.383 4.824 30 40 EJEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)cc2)n1 8843582 ZJQHARDTAUCZQH-UHFFFAOYSA-N 326.318 4.712 30 40 EJEB C=C(C)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12975273 LAFNOXHJBCBYRI-SNVBAGLBSA-N 332.450 4.615 30 40 EJEB Cc1ccc(/C=N/Nc2nc3ccccc3s2)cc1Br 17072050 YJRUJZKNZCGYBB-RQZCQDPDSA-N 346.253 4.813 30 40 EJEB CCCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820476 ROQFXIMJMQLHTE-UHFFFAOYSA-N 340.496 4.857 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 22514654 IHSUOGWZZLLZHI-KRWDZBQOSA-N 339.435 4.583 30 40 EJEB N#Cc1c(Cl)nsc1NCC(c1ccccc1)c1ccccc1 65623082 ZHPYSGJKENZGCA-UHFFFAOYSA-N 339.851 4.912 30 40 EJEB CC(=O)Nc1ccc(C)c(N=Cc2cc(Cl)cc(Cl)c2O)c1 255056026 HGGQYWJHZUQETM-UHFFFAOYSA-N 337.206 4.716 30 40 EJEB Fc1ccccc1/N=C\c1cc(Br)c(Br)o1 408950047 DFPABIWFCWUUHQ-UUASQNMZSA-N 346.981 4.694 30 40 EJEB CCOC(=O)[C@]1(CC)C(=O)C=C(c2ccccc2)C[C@H]1c1ccccc1 1564072 PFAGDXKIOLDOED-REWPJTCUSA-N 348.442 4.786 30 40 EJEB O=C(C(=Cc1ccc(F)cc1)C(=O)c1ccccc1)c1ccccc1 5808018 DOEGZENDHGHBRQ-UHFFFAOYSA-N 330.358 4.975 30 40 EJEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccccc2C)NC1=O 12032476 QCNACJOIUMGCHX-FBRLRESOSA-N 334.444 4.833 30 40 EJEB S=C(N/C(=N\c1ccccc1)c1ccccc1)NC1CCCCC1 12490540 VQENOSFOKCGRMS-UHFFFAOYSA-N 337.492 4.562 30 40 EJEB CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 39557380 LEOSDOOFFWAIMR-HLACBESGSA-N 325.408 4.803 30 40 EJEB COc1cc(C)c(/C=N\c2ccccc2Br)cc1OC 408548840 LZEUNIRXJMXJLU-ZDLGFXPLSA-N 334.213 4.525 30 40 EJEB N#Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 382348 ALJQDYQCZQJHFN-UHFFFAOYSA-N 345.627 4.977 30 40 EJEB Cc1cccc(C)c1/N=C1\S[C@@H](C)CN1C(=O)c1ccc(F)cc1 495450 NSRWFEUAACDLIG-MPHHAOFMSA-N 342.439 4.708 30 40 EJEB COC(=O)c1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3 502472 RVHYYLMLKNNMCM-WSDLNYQXSA-N 349.386 4.554 30 40 EJEB COc1ccc(OC)c(/C=N/c2nc(-c3ccccc3)c(C)s2)c1 2843286 UPUMMJBROYGOEL-UDWIEESQSA-N 338.432 4.886 30 40 EJEB O=[N+]([O-])c1ccc(/C=N\Nc2c3ccccc3nc3ccccc23)cc1 31282734 BGMYBAXIYCMLPJ-BKUYFWCQSA-N 342.358 4.742 30 40 EJEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)c1 33027034 UMCPJUPPCDKZBW-UHFFFAOYSA-N 349.390 4.576 30 40 EJEB C=C1C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118915020 PUCXZBGPUPYKFE-VWEWRVINSA-N 342.479 4.616 30 40 EJEB C#CCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 216792494 OAGJQNDWRACQQS-UHFFFAOYSA-N 346.169 4.592 30 40 EJEB C=CCSc1ccccc1C(=O)Nc1ccccc1Br 219797823 SAUHBGSEXUTXAS-UHFFFAOYSA-N 348.265 4.980 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245238854 BQXKIYVBCVCFAZ-XYXVJEPDSA-N 332.528 4.697 30 40 EJEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCC 409122101 ZCIPJWOCKSEWPV-UHFFFAOYSA-N 341.451 4.833 30 40 EJEB Cc1ccccc1-n1c(SCC#N)nnc1-c1ccc(Cl)cc1 3352554 YBMPJKXSPMGQRP-UHFFFAOYSA-N 340.839 4.512 30 40 EJEB Cc1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C#N)c1C 4703999 MZXIEVPUQOCOOV-UHFFFAOYSA-N 328.481 4.782 30 40 EJEB CC(C)(C)C1CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 5541717 BZGORWGBDJVJTJ-UHFFFAOYSA-N 334.376 4.507 30 40 EJEB CC(C)/N=C1\NN=C(c2c[nH]c3ccccc23)[C@H](c2ccccc2)S1 7780940 MKZFVDANAVKKJI-IBGZPJMESA-N 348.475 4.714 30 40 EJEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 9420180 WGYWZIYCWGWKEQ-MFOYZWKCSA-N 342.778 4.518 30 40 EJEB C=C(C)Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccncc1 16788587 POXSBAHVWXWUHH-RMKNXTFCSA-N 348.475 4.722 30 40 EJEB Cc1ncsc1C(=O)/C=C/c1cccc(OCc2ccccc2)c1 70036730 PWXRBHWUVHDYPW-ZHACJKMWSA-N 335.428 4.927 30 40 EJEB C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1cccc(C)c1 252671128 MTLDFUJTZXTKAN-UHFFFAOYSA-N 336.460 4.952 30 40 EJEB C[C@@H](Oc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1)C(=O)O 408851929 BSYCLUNXLZHFBG-SFDYMUJDSA-N 325.408 4.587 30 40 EJEB C=CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(F)cc1 3893677 OUFUZKAKNZOREC-FMIVXFBMSA-N 338.407 4.807 30 40 EJEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccccc3)o2)c1 4417264 IQARPZNXDMIXON-YBFXNURJSA-N 341.754 4.954 30 40 EJEB COc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1O 5286883 CQOZPXMKTSNFGK-CAOOACKPSA-N 340.604 4.567 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Cl)cc3)S2)cc1C 35647403 NRKAWOXIRZOACJ-MHWRWJLKSA-N 342.851 4.848 30 40 EJEB COc1ccccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 100290593 JYKURPOSYZJMTR-FYJGNVAPSA-N 349.390 4.762 30 40 EJEB CC(=NOCc1cccc(C(=O)O)c1)c1ccc(Cl)c(Cl)c1 254479502 PZPQHDWFTUNGCU-UHFFFAOYSA-N 338.190 4.632 30 40 EJEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)cc1 408942237 XARGROSOQQTPQQ-SRZZPIQSSA-N 342.757 4.719 30 40 EJEB Fc1cc(/C=N/c2cccc(Br)c2)ccc1N1CCCC1 409067548 RGPZMZJLFCFOQJ-UDWIEESQSA-N 347.231 4.939 30 40 EJEB CC/C(=N\Nc1nc2ccccc2s1)c1ccc(OC)c(OC)c1 5414699 BRDMYISIRXGHOY-DEDYPNTBSA-N 341.436 4.540 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@H]3C[C@@]4(C)C(=O)C=CCC[C@]4(C)[C@@H]3CC[C@@]21C 6293910 NOXYBWYMMIPAGH-BQGMDZJISA-N 344.495 4.696 30 40 EJEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)n1 10267136 YDBWWOCUFZLDTE-CQSZACIVSA-N 349.459 4.723 30 40 EJEB O=C1NC(=N/c2ccccc2O)/C(=C/c2ccc(Cl)cc2)S1 16754486 CLCHAIFFXKIGDU-ZROIWOOFSA-N 330.796 4.573 30 40 EJEB CCCC/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1CCCC 35041925 WDAGDTFWHPXFDD-QNZHOBDDSA-N 346.496 4.568 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1 51318855 WJOHKEWMJACXAO-ZHACJKMWSA-N 346.224 4.656 30 40 EJEB C[C@@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccccc2)cs1 90117555 LHLHCIWUUWNFJS-CYBMUJFWSA-N 337.423 4.672 30 40 EJEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(Br)cc1C 409363352 WGMVHMRROWQHPL-PKNBQFBNSA-N 334.213 4.858 30 40 EJEB O=C1c2ccccc2N[C@H](c2ccccc2)N1N=C1CCCCCC1 79721 UPLIBMGWSORXKJ-FQEVSTJZSA-N 333.435 4.963 30 40 EJEB CO/N=C1\C[C@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 34240869 ICICCNLECZQTRT-QSGGGSIRSA-N 343.430 4.743 30 40 EJEB CC[C@H](C)OC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565661215 QWCDYLMXYRIWAK-ZETCQYMHSA-N 328.224 4.551 30 40 EJEB CCOc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 42602 RPAASEJSYBUQAW-UHFFFAOYSA-N 330.387 4.695 30 40 EJEB COc1ccc(C(=O)On2c(-c3ccccc3)cc3ccccc32)cc1 239636 IGWYMEZRSKHZOV-UHFFFAOYSA-N 343.382 4.586 30 40 EJEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl 570368 XTWCSTYOOKENPB-JTQLQIEISA-N 344.867 4.959 30 40 EJEB CCCCCCCN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 2491628 OYCVSLAPQHHOOW-QFIPXVFZSA-N 337.463 4.501 30 40 EJEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccccc1 5376269 WGFZJJTXOBQZHP-UVTDQMKNSA-N 348.349 4.597 30 40 EJEB COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(F)F 6048645 GZUDEGQDXYVHSB-FNORWQNLSA-N 338.737 4.846 30 40 EJEB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 13689240 WEDSPTUXKVAVTR-MRXNPFEDSA-N 342.826 4.837 30 40 EJEB COc1ccccc1CN/N=C/c1ccc(-c2cccc(Cl)c2)o1 20761706 XUEFOJHEFCOUIM-LPYMAVHISA-N 340.810 4.732 30 40 EJEB Cc1cc(C(=O)O)ccc1/N=C/c1cccn1-c1ccc(Cl)cc1 59679559 WQYGBMZUBCAPQS-CIAFOILYSA-N 338.794 4.888 30 40 EJEB CC[C@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1 98086568 ZEQNPDLQVGVNHR-CQSZACIVSA-N 335.382 4.958 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118923410 SFECWQWNBHMGCT-JLHMXPNPSA-N 344.495 4.696 30 40 EJEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 225943404 OXACMDGIFJAKEV-UHFFFAOYSA-N 344.842 4.507 30 40 EJEB Sc1nnc(C2CCCCC2)n1/N=C\C(Cl)=C\c1ccccc1 2340723 URVLMQHGANREAC-HZCNULMQSA-N 346.887 4.728 30 40 EJEB C=CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 4362928 UKDAATLWHBEWFP-DEDYPNTBSA-N 335.432 4.821 30 40 EJEB N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 6172325 NPAYDRCFANSHHI-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB COc1ccc(OC)c(C(=O)/C=C/c2cccc(Cl)c2Cl)c1 27558658 UUHXTZZREBXFLT-SOFGYWHQSA-N 337.202 4.907 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2C)o1 27983959 RRFACUJTEJDKKN-MRXNPFEDSA-N 339.435 4.602 30 40 EJEB CCCCCCCCCCN[C@H](CC(=O)c1ccc(C)cc1)C(=O)O 101672322 FRSKOKFNVBWTKL-LJQANCHMSA-N 347.499 4.751 30 40 EJEB COc1cc(Br)ccc1/N=C/c1cc(Cl)ccc1O 102423456 FBGRXFUHYJCOQQ-CAOOACKPSA-N 340.604 4.567 30 40 EJEB C=CCOc1ccc2ccccc2c1CNc1ccc([N+](=O)[O-])cc1 408605855 GYQKTZMMCYHRSU-UHFFFAOYSA-N 334.375 4.925 30 40 EJEB C/C(=N/OC(=O)c1cccs1)c1ccc2c(c1)Cc1ccccc1-2 44790625 OXPGFKCHJNFNNB-BKUYFWCQSA-N 333.412 4.900 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N\NC(N)=S 118916199 OXZJZRQUDLKMGF-SUZMPZLHSA-N 347.572 4.608 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S 118916200 OXZJZRQUDLKMGF-UYCRJBTFSA-N 347.572 4.608 30 40 EJEB CCc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408851721 NBTOOARWKOGDIY-XDHOZWIPSA-N 347.256 4.955 30 40 EJEB Cc1cc(N2CCCC2)ccc1/C=N/c1cc(C(=O)O)ccc1Cl 408959786 FXSHUNCOSNCKTR-CIAFOILYSA-N 342.826 4.697 30 40 EJEB CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1 1275727 DFDNVCIINLDGOQ-RGVLZGJSSA-N 340.766 4.671 30 40 EJEB CCCC/N=C1\S/C(=C/c2ccccc2OC)C(=O)N1CCCC 35041922 ZOTWPOWMQJQBJO-QNZHOBDDSA-N 346.496 4.568 30 40 EJEB C#CC[C@H](CC)NC(=O)Nc1cc(C)ccc1SCC(F)(F)F 95962287 AKMLHOQDIYGJAN-LBPRGKRZSA-N 344.402 4.573 30 40 EJEB CC(C)(C)C1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 4456026 QHULEUBLJXAJBQ-XOBNHNQQSA-N 332.447 4.969 30 40 EJEB C=C1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2F)S1 5725738 QSXSJTGCVDDNNB-UHFFFAOYSA-N 345.374 4.620 30 40 EJEB Oc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(Cl)c1O 8011951 LYOLVKXBRASFQN-FYJGNVAPSA-N 338.794 4.923 30 40 EJEB C/C(=N\N=C(/S)NCc1ccccc1)c1ccc2ccccc2c1 8774469 IOCCMLDPNDBVDE-PXLXIMEGSA-N 333.460 4.639 30 40 EJEB CC(C)c1ccc(N/N=C2\C(=O)Nc3c2cccc3C(F)(F)F)cc1 223742876 XTMCBDDSCWBOEC-UHFFFAOYSA-N 347.340 4.597 30 40 EJEB COc1cccc2cc(/C=C/C(=O)c3cccc(C#N)c3)c(Cl)nc12 226815124 XJKXFWRMZIUHCC-CMDGGOBGSA-N 348.789 4.665 30 40 EJEB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C[C@H](C)[C@@]12C 263600064 JPIUWRVPCMVEFM-NEHGMTIQSA-N 326.480 4.890 30 40 EJEB CCOc1cc(C)c(C=C2C(=O)c3ccccc3C2=O)cc1C(C)C 408848604 RVZMIHXXTFOAMF-UHFFFAOYSA-N 334.415 4.980 30 40 EJEB COc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O 46367 LUGORMZAKGFOQQ-CAOOACKPSA-N 340.604 4.567 30 40 EJEB C=CCn1c(C)nnc1SCc1nc2ccccc2c(C)c1Cl 8572255 CSKSDHWYYHQUGU-UHFFFAOYSA-N 344.871 4.575 30 40 EJEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 12792064 RIEMJZSPVZFYHY-BJMVGYQFSA-N 346.810 4.652 30 40 EJEB CCCCCCCCSc1nc2ccccc2n1CCC(=O)O 95686528 DYYHLMPYNWVFGB-UHFFFAOYSA-N 334.485 4.964 30 40 EJEB C=CCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 5791434 BOINAJVQPVNFJT-OAQYLSRUSA-N 348.402 4.681 30 40 EJEB Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(C(F)(F)F)cn1)CCC2 7141384 KSKMKPLNPOFNOB-XQNSMLJCSA-N 333.357 4.870 30 40 EJEB COc1cc(C2SCCS2)ccc1OCc1ccccc1C#N 14160462 RGLWVJFAXCAEFN-UHFFFAOYSA-N 343.473 4.624 30 40 EJEB Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59679553 HOZMXFXQYVAPGY-WOJGMQOQSA-N 333.229 4.701 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 225708108 LFQDIOHWBKRZEN-MRXNPFEDSA-N 340.492 4.916 30 40 EJEB Cc1ccc2cc(C3=C/C(=N/Nc4ccccc4C)C(=O)O3)ccc2c1 408726361 QWIAPANBAHYCOB-GFMRDNFCSA-N 342.398 4.822 30 40 EJEB CC[C@@H](C)n1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 408908446 CNGCMGTXFMHQIY-FAPYRAKZSA-N 336.395 4.967 30 40 EJEB CSc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C#N 3104728 GSNIGXVONNSCOA-UHFFFAOYSA-N 337.231 4.839 30 40 EJEB C(=N/Cc1cccnc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 3252679 QGCRGRCZYOIIMI-LFVJCYFKSA-N 338.414 4.553 30 40 EJEB C/C(=N\N=c1\scc(-c2ccc(Cl)cc2)n1C)c1ccccc1 5242430 FPTMWOUXBDFJPP-NQUFBGNASA-N 341.867 4.732 30 40 EJEB CN1/C(=C\C=C\C=C2C(=O)CC(C)(C)CC2=O)Sc2ccccc21 5705777 HJDAPXPNEAVTNN-DQCBVTNPSA-N 339.460 4.511 30 40 EJEB CCCCCCCCNc1nc(Cl)nc(NCc2ccco2)n1 8426539 ZPLCZWCJNKXDMT-UHFFFAOYSA-N 337.855 4.503 30 40 EJEB N#CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 13787156 HSVPRDLFGBCNSO-SXGWCWSVSA-N 346.169 4.512 30 40 EJEB CC1(C)COc2ccc(C(=O)/C=C/c3ccccc3F)cc2OC1 225371933 SIJIVCJPUJHIQW-VQHVLOKHSA-N 326.367 4.519 30 40 EJEB CCCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 409092507 WNOLWPJJMPYRFH-WGGXDPCSSA-N 346.839 4.947 30 40 EJEB CCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 1255817 YKUYQKRBIUMLHU-UHFFFAOYSA-N 342.402 4.810 30 40 EJEB N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 2765831 RMONXVYIYWHKFM-HOTGVXAUSA-N 336.460 4.631 30 40 EJEB Oc1ccc(Br)cc1/C=N/Cc1ccc(F)c(Cl)c1 57411939 PNVHOSYIROTABJ-QGMBQPNBSA-N 342.595 4.566 30 40 EJEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 59270297 ACXLTDVWQTYHNU-IZZDOVSWSA-N 342.320 4.787 30 40 EJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1 105453407 HOYUJNDCWSMQNT-UHFFFAOYSA-N 346.515 4.971 30 40 EJEB N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1ccc(Cl)cc1 225882939 BQBLDLCWTBEZEF-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB N#Cc1cn(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 226362147 BUDZNRSTGGBIPW-UHFFFAOYSA-N 345.185 4.539 30 40 EJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2)cc1 408591766 KHJMOFFJYNWDFD-BUVRLJJBSA-N 342.398 4.688 30 40 EJEB Cc1ccc(-n2cccc2/C=N/OCc2ccccc2C#N)cc1C 408597431 ZKGQBJJKVGEOCP-OEAKJJBVSA-N 329.403 4.517 30 40 EJEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(O)c1 346743 GCICKRWXCISKND-HYARGMPZSA-N 331.371 4.670 30 40 EJEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 20762448 FPWNKIQGYMOINF-BUVRLJJBSA-N 347.462 4.535 30 40 EJEB C=CCNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344933 SPZYOJSPKGNJDB-UHFFFAOYSA-N 347.867 4.557 30 40 EJEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 225846366 UWZMAEGEVKUFJL-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB C=CCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC 408705560 IOYRKDWFYDZZJY-UHFFFAOYSA-N 336.218 4.983 30 40 EJEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(Br)cc1F 409366170 ZOVUVIDPOYUJPR-VQHVLOKHSA-N 338.176 4.688 30 40 EJEB O=[N+]([O-])c1cccc(-c2nc(/C=N/c3ccccc3)c3ccccn23)c1 79085 BBFKKDMCPZCXES-KGENOOAVSA-N 342.358 4.660 30 40 EJEB N#Cc1ccc(CSc2nn(-c3ccccc3)c(=S)s2)cc1 6476077 CYQWKHCFVQQLIU-UHFFFAOYSA-N 341.486 4.827 30 40 EJEB C[N+](C)(CC(=O)c1ccc(Cl)cc1)CC12CC3CC(CC(C3)C1)C2 12371963 VCWSHMFYVVAOIZ-UHFFFAOYSA-N 346.922 4.816 30 40 EJEB CC(C)n1cnnc1SCc1ccc(-c2ccccc2C#N)cc1 14247649 ZCYQKDKMNKLRRV-UHFFFAOYSA-N 334.448 4.690 30 40 EJEB CC(=O)/C(=C/c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 36056590 FDAUAWCWYPKAFJ-DBFJETNYSA-N 328.452 4.663 30 40 EJEB [O-]/[N+](=C\c1cccs1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 80343900 QZACQXPLRIDGSE-XKZIYDEJSA-N 347.399 4.726 30 40 EJEB C=CCO/N=C/c1cc(/N=C(/S)c2ccoc2C)ccc1Cl 13474504 DJSIDTVOVQBTCC-VCHYOVAHSA-N 334.828 4.786 30 40 EJEB COc1cccc(/C=N/c2ccc(Cl)cc2C(F)(F)F)c1O 44835944 QRKGJMVSRNNCGZ-DNTJNYDQSA-N 329.705 4.824 30 40 EJEB Cc1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1C 44844102 IJDZZUCWZKATEI-CMDGGOBGSA-N 330.225 4.874 30 40 EJEB Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(F)c(-c2cccs2)c1 64925876 KSUGDGHYQXDMGN-VQHVLOKHSA-N 340.423 4.801 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=N/O)CC[C@H]32)C1 253505151 QLSVFSSDFUXCHZ-TXWGQVLRSA-N 345.483 4.711 30 40 EJEB biogenic,in-vitro Cc1cccc(NC(=S)N/N=C2/CCCc3c(C)cc(C)cc32)c1 33745464 LEYDWJGBZKUKRY-QOCHGBHMSA-N 337.492 4.639 30 40 EJEB Cc1cccc(N(C)/N=C2/C=C(c3cccc4ccccc34)OC2=O)c1 408727259 VKYVBUZNOCBURG-ATJXCDBQSA-N 342.398 4.538 30 40 EJEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 409052287 JEIPQKFVEMYGDJ-XDHOZWIPSA-N 338.392 4.554 30 40 EJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCCC1 45602 BAWLDBGZQJBBDC-UHFFFAOYSA-N 332.451 4.610 30 40 EJEB N#C[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 1397660 YLDUJEAVNSGVLO-CYBMUJFWSA-N 348.627 4.983 30 40 EJEB COc1ccc(CSCCN/C(=N/c2ccccc2)SC)cc1 1875066 KXFWZJWFMQEBJI-UHFFFAOYSA-N 346.521 4.569 30 40 EJEB Cc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2)cc1C 3288985 TYRINKKOZILWPZ-UHFFFAOYSA-N 334.448 4.557 30 40 EJEB O=C(C(C(=O)c1ccccc1)=C(O)c1ccccc1)c1ccccc1 4696935 HXPCXENXJUJGAW-UHFFFAOYSA-N 328.367 4.722 30 40 EJEB N#C[C@]12CCCC[C@@H]1C[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1O 4728589 NYPAPXFYOSDURV-DGQTTZFYSA-N 335.451 4.507 30 40 EJEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1cc2ccccc2o1 4924685 HZFNPAUGYFUUTH-VXLYETTFSA-N 328.755 4.621 30 40 EJEB FC(F)(F)c1ccccc1N/N=C/c1ccccc1Br 5417624 GHKXOVOIXFXEMT-DJKKODMXSA-N 343.146 4.914 30 40 EJEB C=CCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 8253991 RMURAIKDTPCMCG-UHFFFAOYSA-N 349.833 4.732 30 40 EJEB N#Cc1cccc(CSc2nn(-c3ccccc3)c(=S)s2)c1 14158657 OWTQBXQVLXSXQK-UHFFFAOYSA-N 341.486 4.827 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ncc(Cl)cc1Cl)C2 100261605 NBHNPIBOELDRAF-HWPZZCPQSA-N 325.239 4.709 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 219778345 JOUQMCYBSZGZHP-UHFFFAOYSA-N 335.325 4.913 30 40 EJEB CCn1c(N/N=C/c2ccc(-c3ccc(F)cc3)o2)nc2ccccc21 408692728 TWBKEYSBYMCIDD-LPYMAVHISA-N 348.381 4.901 30 40 EJEB C=CCC1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H]1C 4176896 LLVHGGXMXPNCGC-CZQWAENCSA-N 335.491 4.994 30 40 EJEB O=C(O/N=C1/CCCSc2ccccc21)c1ccccc1Cl 4498865 SJAOPLJPRQJQBL-CYVLTUHYSA-N 331.824 4.787 30 40 EJEB COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(N=[N+]=[N-])c12 15240217 SQKSFKFHJMCYTO-UHFFFAOYSA-N 345.340 4.861 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1ccccc1C(F)(F)F 44835860 ONLZNYTZHHXCFF-UFWORHAWSA-N 344.130 4.924 30 40 EJEB Cc1ccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)cc1C 409213742 UMCVINHGHKPNIL-WSDLNYQXSA-N 333.387 4.671 30 40 EJEB CC(C)(C)c1ccc(C(=O)C[n+]2cccc3cc(Cl)ccc32)cc1 1664853 RBRUOQPLFMNGMZ-UHFFFAOYSA-N 338.858 4.961 30 40 EJEB C[C@H](C/C=N\N1CCCCC1)Nc1ccnc2cc(Cl)ccc12 5179574 VIJKAUNKFZAHMN-YYLUKMIBSA-N 330.863 4.550 30 40 EJEB N#CCc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 8125743 JIVRLVDULXUTLX-UHFFFAOYSA-N 340.426 4.913 30 40 EJEB CCCn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21 8811993 GXPVEBWKBCYSSK-LPYMAVHISA-N 325.843 4.828 30 40 EJEB CC/N=c1\scc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 15913778 FSGSJNFVWCHMPX-BBWJCODLSA-N 346.459 4.501 30 40 EJEB CCCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 19708418 YLQDDZPDBBXCHC-UHFFFAOYSA-N 327.472 4.502 30 40 EJEB CC/C(C)=N\N=c1/[nH]c2cc(C)c(NC(=O)C(C)(C)C)c(C)c2s1 72228564 XYUUDPAKCUZZES-NHDPSOOVSA-N 346.500 4.517 30 40 EJEB O=[N+]([O-])c1ccc2c(/C=N/c3cccc(Cl)c3)c(O)ccc2c1 103760938 VWRWBGLFKHIKNU-VXLYETTFSA-N 326.739 4.858 30 40 EJEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c1C 1286748 DZRBLTMLQJVGTM-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB Cc1ccc(/C=N\Nc2nc3ccccc3s2)cc1Br 33650663 YJRUJZKNZCGYBB-MFOYZWKCSA-N 346.253 4.813 30 40 EJEB CCCC[N+](C)(C)CC#CC[C@@](O)(c1ccccc1)C1CCCCC1 67192402 GULFIFKYCQBHAX-HSZRJFAPSA-N 342.547 4.725 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 225515689 SOFCDGDHTQVJPH-MRXNPFEDSA-N 340.492 4.559 30 40 EJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1 408564381 ZUVDAQBCNUVTCL-MDJJKAFGSA-N 328.456 4.746 30 40 EJEB N#Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 542307 LWEUKZTZYBJNRH-UHFFFAOYSA-N 339.354 4.666 30 40 EJEB Fc1cccc(Cl)c1/C=N\n1c(C2CCCCC2)n[nH]c1=S 548346 XIYKJVQQUWZWBR-NVMNQCDNSA-N 338.839 4.663 30 40 EJEB CCOP(=O)(CN=C(c1ccccc1)c1ccccc1)OCC 1643402 NOVOZMJGMNDVGJ-UHFFFAOYSA-N 331.352 4.748 30 40 EJEB biogenic Cc1ccccc1Nc1nnc(SCc2ccccc2C#N)s1 6790786 SYNHNDUSHDZUBA-UHFFFAOYSA-N 338.461 4.754 30 40 EJEB Cc1cc(C)c(C#N)c(SCc2cc(-c3cccs3)on2)n1 7371388 VDDUKHPKJCPHGS-UHFFFAOYSA-N 327.434 4.579 30 40 EJEB COc1ccc(OC)c(/C(C)=N/Nc2ccccc2C(F)(F)F)c1 7941413 XDTRIFNGDCEDHI-SRZZPIQSSA-N 338.329 4.559 30 40 EJEB Cc1cc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)ccc1F 8336288 JIZWNLUEHMCVCR-YDZHTSKRSA-N 349.409 4.687 30 40 EJEB C=CCOc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196611 OQXOMSKHMQPCDQ-RGVLZGJSSA-N 335.234 4.682 30 40 EJEB CCOc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1 13586062 LUGDDRXGIASAPP-CIAFOILYSA-N 337.250 4.906 30 40 EJEB COc1cc(/C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC 17022968 CHKCKZJOXKQZMG-FLIBITNWSA-N 348.398 4.762 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2ccccc2C(F)(F)F)cc1 51318873 BMWTUMHQYYYDLP-VAWYXSNFSA-N 335.325 4.913 30 40 EJEB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N 225841218 SLHWMUXWXLCRSV-HXUWFJFHSA-N 346.471 4.515 30 40 EJEB CSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N 3104715 SHLBHYDTNLUZGJ-UHFFFAOYSA-N 337.231 4.839 30 40 EJEB O=[N+]([O-])c1ccccc1NN=C(Cc1ccccc1)Cc1ccccc1 5020100 SBMYJXMXYAWOCQ-UHFFFAOYSA-N 345.402 4.848 30 40 EJEB COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N=C2C 7496386 FTKZVSLKVWVHGP-AWEZNQCLSA-N 332.403 4.614 30 40 EJEB CC1=C(C/C=C(\C)[C@@H](O)C#C[C@]2(C)C=COCCO2)C(C)(C)CCC1 95611843 VPXQWWCWFOYTAT-ZFQMYRJOSA-N 344.495 4.533 30 40 EJEB N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccccc1F 225881942 OMUNIGSDVTYWCX-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB C=CCOc1ccc(NC(=O)C(C)(C)CC=C)cc1C(F)(F)F 225956744 KIBHVPZVDNILJO-UHFFFAOYSA-N 327.346 4.811 30 40 EJEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(Cl)cc1 50801 GYRBGUMOISDJLM-CNHKJKLMSA-N 339.178 4.975 30 40 EJEB N#Cc1ccc(-c2ccccc2)nc1S[C@H](C(=O)O)c1ccccc1 154674 DGTYVSCNPDMFQA-SFHVURJKSA-N 346.411 4.538 30 40 EJEB CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccccc2)n1 19820816 YXNGBBMSQUFKOG-CZUORRHYSA-N 338.480 4.728 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 20452447 QELXRLMLRIDAAO-INIZCTEOSA-N 339.435 4.781 30 40 EJEB COc1ccc(/C=C2/CCCC(=C3SCCCS3)C2=O)cc1 33426822 RPCFBRJWDQFJSF-OWBHPGMISA-N 332.490 4.913 30 40 EJEB CSc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1 40139778 NMEMQDBNBOYWPK-JXMROGBWSA-N 338.457 4.823 30 40 EJEB C=C(C)C1(Br)[C@@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 101049669 IDSMPKFHDMXGJE-RNFRBKRXSA-N 335.138 4.927 30 40 EJEB CC(C)c1ccc(N/N=C2\C(=O)Nc3ccc(C(F)(F)F)cc32)cc1 223747101 AGPXYVQAGWOSTR-UHFFFAOYSA-N 347.340 4.597 30 40 EJEB CCCCc1nc(SCc2cccc3ccccc23)nc(N)c1C#N 225893074 YFEVWGNKGVFOHL-UHFFFAOYSA-N 348.475 4.719 30 40 EJEB O=C1C=C(Nc2ccc3c(c2)oc2ccccc23)C(=O)c2ccccc21 226761075 GLWOXRYLFDZUCJ-UHFFFAOYSA-N 339.350 4.961 30 40 EJEB Cc1c(C(=O)Nc2ccc(C#N)cc2C(F)(F)F)oc2ccccc12 12621860 IOXRJOIMBMPBEA-UHFFFAOYSA-N 344.292 4.884 30 40 EJEB COc1ccc(/C=C\C(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 33376411 RKPKPEGSYGZHKY-AQTBWJFISA-N 338.406 4.991 30 40 EJEB CC(C)(C)c1nc(C#N)c(NCc2ccc(-c3ccccc3F)o2)o1 61997278 QMXNHIQKGHJFFF-UHFFFAOYSA-N 339.370 4.855 30 40 EJEB COc1ccc(OC)c(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 71976917 QLHWETXARWYHOL-XVNBXDOJSA-N 337.202 4.907 30 40 EJEB N#CCc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225853231 TXGCZGFTWTYPJO-UHFFFAOYSA-N 341.505 4.570 30 40 EJEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccco3)cc2)c1 409178825 OYWSISRFHCECHC-VAWYXSNFSA-N 335.359 4.889 30 40 EJEB CC/C(=C\C(=O)c1ccc(Br)cc1)NCc1ccccc1 59489033 JZUGWCJQLBVPJK-SFQUDFHCSA-N 344.252 4.716 30 40 EJEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C#N)n2)o1 72640582 IBTCHDYLRGCXQY-VIFPVBQESA-N 337.326 4.545 30 40 EJEB C=CCNC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224659425 DQSZYFOGRSZNAT-UHFFFAOYSA-N 341.476 4.602 30 40 EJEB FC(F)(F)c1cnc(N/N=C/c2ccccc2Cl)c(Cl)c1 6046987 KJMHCKDIQBDSHX-CGOBSMCZSA-N 334.128 4.853 30 40 EJEB C=CCOc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 8497341 APBFSIVRPBCDNT-VXRQLKRISA-N 325.496 4.946 30 40 EJEB C=CCc1cc(C(=O)Nc2ccccc2SCC)ccc1OC 30872494 OUVFDMDFZBZQFT-UHFFFAOYSA-N 327.449 4.788 30 40 EJEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(C)cc1 100155567 HTPHTRVGGRAEFA-FYJGNVAPSA-N 334.375 4.716 30 40 EJEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/Nc2ccccc2)c1C 408592379 XXPJOYLPLVEEFQ-FYJGNVAPSA-N 348.406 4.757 30 40 EJEB Brc1cccc(-n2cccc2/C=N/c2ccccc2)c1 409012641 KWEGZVWOVMNPFM-CPNJWEJPSA-N 325.209 4.990 30 40 EJEB COC(=O)c1ccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)cc1 2897005 QOHZYGHMLBSOBW-JJIBRWJFSA-N 339.394 4.624 30 40 EJEB C[C@H](C#N)CN(C)c1ncnc2cc(-c3ccc(Cl)cc3)sc12 84638233 MRADSVNGEFCSLV-LLVKDONJSA-N 342.855 4.608 30 40 EJEB CCCCCCCCCCCCOC(=O)CSc1nccn1C 100928478 PWYDRJMESSMCFG-UHFFFAOYSA-N 340.533 4.976 30 40 EJEB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(CC#N)cc1)C(C)C 225760606 KBBLYPNOYYPYHR-IBGZPJMESA-N 337.492 4.745 30 40 EJEB CC(=NO)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299888599 PUAYLIXQYVQBPE-RRPFGEQOSA-N 329.484 4.697 30 40 EJEB Cc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409304600 KHPLUIDUBZCQON-UHFFFAOYSA-N 345.446 4.635 30 40 EJEB N#Cc1cnc(Oc2ccc(-n3ncc4ccccc43)cc2)c(Cl)c1 542120252 XPFSXSNWHNBQCC-UHFFFAOYSA-N 346.777 4.738 30 40 EJEB N#C[C@H](c1ccc(N)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1731813 RTOYAUPYTHGILO-FGZHOGPDSA-N 340.426 4.933 30 40 EJEB Cc1ccc(/N=C/c2cc3c4c(c2O)CCCN4CCC3)cc1Cl 3187495 NXNVICXDRXWMEV-WSDLNYQXSA-N 340.854 4.803 30 40 EJEB COc1cccc(/C=N/Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 4356983 GKWRFXAGWBCPET-KEBDBYFISA-N 341.411 4.712 30 40 EJEB Brc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 15225739 OFAIIVPWJUMMFE-CPNJWEJPSA-N 329.241 4.800 30 40 EJEB CC(=O)c1cccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408959671 CWDQEHKYXJNWQL-WSDLNYQXSA-N 347.370 4.906 30 40 EJEB COc1ccc2cc(/C(C)=N/Nc3ccccc3[N+](=O)[O-])ccc2c1 5416136 QMYPLMWECISOEO-DEDYPNTBSA-N 335.363 4.593 30 40 EJEB N#Cc1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1 8202037 CLYQAAVTUBQNLX-UHFFFAOYSA-N 333.460 4.548 30 40 EJEB CCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 8456760 AUOUVIGDPICYMP-HCXYKTFWSA-N 349.515 4.546 30 40 EJEB CC(=O)C1=CC[C@H]2[C@@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 80519903 PIPYBRMLUCOTFE-DIVDONOYSA-N 328.496 4.826 30 40 EJEB CCCCCCCCCCN[C@@H](CC(=O)c1ccc(C)cc1)C(=O)O 101672316 FRSKOKFNVBWTKL-IBGZPJMESA-N 347.499 4.751 30 40 EJEB Cc1ccc(C)c2nc(SCC(=O)c3ccccc3)c(C#N)cc12 411054 DNABSJSNRJDCRP-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 4959435 SHVMYTQKYXOYAT-UEXGIBASSA-N 347.414 4.776 30 40 EJEB C=CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1OCC 6962545 WAYZCIAXJJOXBK-RCCKNPSSSA-N 325.408 4.799 30 40 EJEB C=CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 8534866 APBFSIVRPBCDNT-HJMJHHSWSA-N 325.496 4.946 30 40 EJEB Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccc(N(C)C)cc1)C3=O 27579425 IDMAGDAVGPMPLU-SSZFMOIBSA-N 330.431 4.755 30 40 EJEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Cl)cc1 103864856 GCIUSDBJTTXWJO-OCKHKDLRSA-N 340.206 4.779 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(F)c(C)c1 409098720 JLQHGRGKHNRGHG-LPYMAVHISA-N 342.414 4.502 30 40 EJEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccnc2)c2ccccc21 18181898 RJQDJLBFYHEVGX-NRFANRHFSA-N 342.423 4.948 30 40 EJEB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1cc(C#N)ccn1 78754389 WEJIWRKQDOOCKC-AWEZNQCLSA-N 339.464 4.504 30 40 EJEB C=CCOc1ccc(Br)cc1CNc1ccccc1C 409109303 BGCVXNKOBVXMKF-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB COc1cc(Br)c(/C=N/c2cccc(C)c2)cc1OC 409215920 GLXHRQZZGAHZDD-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB Cc1c(C(C)C)c(N2CCCCC2)n2c(nc3ccccc32)c1C#N 85711 HWUQJOOGBAIKSC-UHFFFAOYSA-N 332.451 4.781 30 40 EJEB C[C@H]1CCc2sc(NC(=O)c3ccccc3Cl)c(C#N)c2C1 4070065 CDKZGPIJSJHKFA-JTQLQIEISA-N 330.840 4.650 30 40 EJEB CCCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 4570282 CWAJLNDHQAZMQA-UHFFFAOYSA-N 328.437 4.668 30 40 EJEB COc1ccc(C(=O)/C=C(\C)Nc2ccccc2C(F)(F)F)cc1 4817414 RPAWDESNKXGSTF-VAWYXSNFSA-N 335.325 4.913 30 40 EJEB N#Cc1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1 6998372 FVUALQNPQLZUHD-UHFFFAOYSA-N 337.231 4.596 30 40 EJEB C/C(=N\Nc1ccc(Cl)nn1)c1cc2c(ccc3ccccc32)o1 58646653 TWEONKNJDXREBB-RGVLZGJSSA-N 336.782 4.866 30 40 EJEB Cc1cccc(NC(=S)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)c1C 103311919 DVCLVDLZJWAYMU-PWIMYCEHSA-N 327.497 4.568 30 40 EJEB C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC 6960557 STEILBBEYUXHJB-FYJGNVAPSA-N 327.811 4.810 30 40 EJEB CCCOc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196973 JQAHPRFWIQCMPQ-RGVLZGJSSA-N 337.250 4.906 30 40 EJEB Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 13733845 FQGNZZAQKNTFJS-OAHLLOKOSA-N 349.217 4.854 30 40 EJEB Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)oc2c(Cl)cccc12 6590517 CTEBYSDITVMGPM-GFCCVEGCSA-N 349.777 4.761 30 40 EJEB N#Cc1cccnc1NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 24106889 BXROZHABQKPUFE-IBGZPJMESA-N 338.414 4.679 30 40 EJEB O=C1CC[C@H](/C(O)=N/[C@H]2CCCc3sc(Cl)cc32)n2cccc21 329242852 SMDDDZHBPDBHHM-WCQYABFASA-N 348.855 4.755 30 40 EJEB CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 4118268 DLRLYMYOBXUZDO-AWNIVKPZSA-N 326.367 4.673 30 40 EJEB CCc1c(C)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1C 79954 QLPCEXUROOKWDS-UHFFFAOYSA-N 344.867 4.761 30 40 EJEB CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 6048167 UUPWAXWVVQLXTB-JXMROGBWSA-N 333.309 4.560 30 40 EJEB C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1O 6592853 PMKBJILGDIUCMW-FOKLQQMPSA-N 345.324 4.795 30 40 EJEB C[C@@H]1c2cccn2CCN1Cc1ccc(-c2ccccc2C#N)cc1 14198608 VGYOGKUDHINEII-QGZVFWFLSA-N 327.431 4.604 30 40 EJEB CCc1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 44843376 YZCGBUVHVGTHRK-ZHACJKMWSA-N 330.225 4.820 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(C(F)(F)F)cc2)cc1 51318877 ZLUCWYSSPGYTHK-VAWYXSNFSA-N 335.325 4.913 30 40 EJEB N#C[C@@H](C(=O)Cc1ccc(Cl)cc1)/C(O)=N/c1ccccc1Cl 58285432 HSODHSICZRGEGT-ZDUSSCGKSA-N 347.201 4.533 30 40 EJEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OC)c1O 100222682 MFWXTQYLPKLZGC-UFFVCSGVSA-N 339.313 4.569 30 40 EJEB CCCCCCCNCc1cc(Br)ccc1OCC 102566605 SIRAFHVDLDLHHQ-UHFFFAOYSA-N 328.294 4.908 30 40 EJEB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225802661 CHJODSHBASTHMQ-HXUWFJFHSA-N 346.471 4.517 30 40 EJEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccccc2C)cc1 225888422 DFQKNWYEXNXNNS-UHFFFAOYSA-N 333.460 4.758 30 40 EJEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccncc1 5265564 QOSUTQWLPQUMRH-UHFFFAOYSA-N 341.418 4.572 30 40 EJEB C=CCn1c(CSCc2ccc(Cl)c(Cl)c2)n[nH]c1=S 5817013 MDBDWYRAOBOBDN-UHFFFAOYSA-N 346.308 4.867 30 40 EJEB CCCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC 6880642 VVOUIZUWRAXMNI-XDHOZWIPSA-N 348.240 4.997 30 40 EJEB CC(/C=C/c1ccccc1)=N/Nc1c(F)c(F)c(F)c(F)c1F 17107695 IQKGWRNUKUWVDU-YJTLILGGSA-N 326.268 4.883 30 40 EJEB O=C(ON=c1c2ccccc2ccc2ccccc12)c1ccccc1 1643754 BEWKLHRGXSTHLT-UHFFFAOYSA-N 325.367 4.666 30 40 EJEB CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 4517402 YBTXXZPSKICUDW-NSHDSACASA-N 342.489 4.719 30 40 EJEB C=CCOc1ccccc1/C=N/NCc1c(Cl)cccc1Cl 9196741 RJDCHZCZJKMJBG-RGVLZGJSSA-N 335.234 4.682 30 40 EJEB Cc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)o1 40146086 JCVHVZBBBIVRCI-CMDGGOBGSA-N 347.201 4.977 30 40 EJEB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(F)cc1F 57996482 IRSKGXKXMYJLOW-ORCRQEGFSA-N 332.733 4.833 30 40 EJEB C=CCN(Cc1ccc(OC)cc1)Cc1ncc(-c2ccccc2)o1 59423166 PZEQWQMPTJRJER-UHFFFAOYSA-N 334.419 4.538 30 40 EJEB CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccc(C#N)cc1 75610360 RJMLNHCUHGAPOZ-IBGZPJMESA-N 340.854 4.564 30 40 EJEB FC(F)(F)c1cccc(/N=C/c2c(Cl)nc3sccn23)c1 100334796 YGLYQOKCJRHLRA-CNHKJKLMSA-N 329.734 4.819 30 40 EJEB N#Cc1sc(/C=C/Nc2ccc(Cl)cc2)nc1C(F)(F)F 100406004 HHUOZVDVWGCTGZ-AATRIKPKSA-N 329.734 4.770 30 40 EJEB CCCCCCCCCCCCN(CCC(=O)OCC)C(C)=O 100921905 NJVCOXHEONPARL-UHFFFAOYSA-N 327.509 4.709 30 40 EJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)cc2)C(=O)N1C 213160460 LNZBTSXBCJVGQA-BIXZQSIESA-N 336.460 4.791 30 40 EJEB Cc1nc(SCc2ccc(C#N)cc2)c2c(C)c(C)sc2n1 5429118 JZVUGSCFJIYUGD-UHFFFAOYSA-N 325.462 4.781 30 40 EJEB Cc1ccc(Oc2ccccc2NC(=O)c2cccc(C#N)c2)cc1 6266912 SCWQJRYQYZNAEJ-UHFFFAOYSA-N 328.371 4.911 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1)OCO3 18197449 WXYPJDIKNIGWPW-FQEVSTJZSA-N 347.414 4.616 30 40 EJEB Cc1ccccc1N=C1NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 408720826 DYPAUQILSGULSA-WQRHYEAKSA-N 347.443 4.676 30 40 EJEB CC(C)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409133874 URFBZUUXCSQGHA-UHFFFAOYSA-N 329.399 4.760 30 40 EJEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2O)cc1OC 409379857 ADXCTKZSZDBZLS-OEKFUPINSA-N 333.815 4.982 30 40 EJEB C[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(Cl)c2)S1 497064 OALZAQZDTRGWSJ-PLYKVXEXSA-N 348.830 4.744 30 40 EJEB CCN(CC)c1ccc(/C=N/c2ccnc3ccc(OC)cc23)cc1 1683238 GNFCCVQPIQVHOX-HZHRSRAPSA-N 333.435 4.840 30 40 EJEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccccc1 103550432 KBUACCJONGKBMU-UHFFFAOYSA-N 340.185 4.924 30 40 EJEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 225613059 JLJHRTCITGRMMY-UHFFFAOYSA-N 346.810 4.661 30 40 EJEB C=CCn1c(SC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 477607 JKFQHTCXZACHMZ-LLVKDONJSA-N 348.537 4.517 30 40 EJEB Cc1ccccc1[C@@H]1[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N 4652930 UBBBGSCFVIIMPQ-XXYORIAFSA-N 344.458 4.527 30 40 EJEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(Cl)cc1 5474804 VNEVZSAONQVOIM-QMDZLVRISA-N 343.810 4.582 30 40 EJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(O)c1 12558744 AUANPDRAXNBDPG-ZZEZOPTASA-N 342.851 4.994 30 40 EJEB C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253617211 BQXKIYVBCVCFAZ-HOQLVIGXSA-N 332.528 4.697 30 40 EJEB COc1cccc(/C=C/c2nc(C#N)c(NCc3ccc(C)cc3)o2)c1 8550097 WHPMABBXQDTBMS-ZHACJKMWSA-N 345.402 4.646 30 40 EJEB CN(C)c1ccc(/C=N/c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 18038318 VRPLRUBUDZKINE-ZZAWEDPDSA-N 328.415 4.565 30 40 EJEB COc1cccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)c1OC 58776434 SQETUQJRGHUONB-ZHACJKMWSA-N 345.464 4.662 30 40 EJEB O=C(/C=C/c1cccc(OCc2ccccc2F)c1)c1cccnc1 63274918 HITGEYFHLMBVIV-ZHACJKMWSA-N 333.362 4.696 30 40 EJEB O=C(Cc1ccccc1)/C(Cc1ccccc1)=N\Nc1ccccc1 100369439 YOCVIESOCFYSJA-FLFQWRMESA-N 328.415 4.509 30 40 EJEB CN(C)c1ccc(/C=N\c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 104322070 MGFJXWXZOGVARQ-UCQKPKSFSA-N 326.399 4.715 30 40 EJEB CC(C)n1cc2ccc(N=C(O)CSCC(F)(F)F)cc2n1 330032878 SXPJAINWQAEHBK-UHFFFAOYSA-N 331.363 4.501 30 40 EJEB Cc1ccc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CCCC3=O)cc1 107142 BTVFGSNREGWABP-INIZCTEOSA-N 337.444 4.584 30 40 EJEB O=C(c1ccc2ccccc2n1)N1CCCS/C1=N\c1ccccc1 5860440 FDXYRPJALWSDBY-MRCUWXFGSA-N 347.443 4.502 30 40 EJEB N#Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)o2)c1 14196979 XDOJMYSCQHIWQJ-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB C(#Cc1ccccc1)CN(CC#Cc1ccccc1)Cc1ccccc1 67194100 RTXCAPLIDZCHCB-UHFFFAOYSA-N 335.450 4.592 30 40 EJEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/C1CCCCC1 100669653 VQLBRHPMILDSMI-FLFQWRMESA-N 348.446 4.717 30 40 EJEB N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccccc2)o1 408593512 AEIKOMFJZPHQBM-FYJGNVAPSA-N 334.400 4.853 30 40 EJEB CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408940091 NNEWTZGPIYJDAS-FYJGNVAPSA-N 343.382 4.735 30 40 EJEB N#Cc1c(/N=C/c2ccc(Br)cc2)sc2c1CCC2 60011 UHAADGMEWSJRHY-GIJQJNRQSA-N 331.238 4.622 30 40 EJEB Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 4980003 AKGRNXNTTLFIIQ-MRXNPFEDSA-N 341.480 4.573 30 40 EJEB CSc1ccccc1/N=C/c1c(C)nn(-c2ccc(C)cc2)c1O 5942551 GHUPSBNKNMBCSA-UDWIEESQSA-N 337.448 4.667 30 40 EJEB CCC(=O)Nc1ccc(/N=C/c2c(O)cc(C)c(Cl)c2C)cc1 16609891 CMSWFQMYNJKTJZ-KEBDBYFISA-N 330.815 4.762 30 40 EJEB C=CCSc1ccccc1C(=O)NCCCc1ccc(C)cc1 219812305 UXSCKKQWRGVRIG-UHFFFAOYSA-N 325.477 4.636 30 40 EJEB Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)c1 225880118 BGTYIKYLCSRGKE-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB O=C1/C(=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)Cc2ccccc21 409369151 FKAOMJNSCQBFEF-JLHYYAGUSA-N 349.317 4.816 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1)OCO3 18197451 WXYPJDIKNIGWPW-HXUWFJFHSA-N 347.414 4.616 30 40 EJEB COc1ccc(C(=O)/C=C\c2c(Cl)cccc2Cl)c(OC)c1 33378782 RUCUNQDXPDVSOR-HJWRWDBZSA-N 337.202 4.907 30 40 EJEB CCCOc1ccc(C/N=C/c2cc(Br)ccc2O)cc1 57411902 FWUQUMPMDQBRHZ-XDHOZWIPSA-N 348.240 4.563 30 40 EJEB C=C[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105364911 HQCWLYGJDWRLIV-JZYLZAGLSA-N 341.451 4.655 30 40 EJEB biogenic COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccccc2)c1C 408779852 MGOFPYHVSXGFAW-HMAPJEAMSA-N 332.403 4.631 30 40 EJEB N#C[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 1386067 LMTHTRSFBFLKNZ-GFCCVEGCSA-N 347.727 4.957 30 40 EJEB CC(C)C1=CC2=CC[C@H]3[C@](C)(C(N)=O)CCC[C@]3(C)[C@@H]2C[C@@H]1CC#N 5022277 GCVOAWDIEGWPIT-CSTLSCDQSA-N 340.511 4.747 30 40 EJEB O=C(O)c1ccc(/N=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 17328331 PCESDWWIFVPSOX-HMAPJEAMSA-N 329.355 4.637 30 40 EJEB COC(=O)c1cccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c1 409368350 ZDPYQYPIPLFZES-GHRIWEEISA-N 344.366 4.556 30 40 EJEB C/C(=N\Nc1ccc(F)cc1F)c1ccccc1Br 4922526 SFMCBOJUDYZQTD-GIJQJNRQSA-N 325.156 4.563 30 40 EJEB C=CCOc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 8480031 ITMSGWQJJMCFNL-UHFFFAOYSA-N 339.435 4.566 30 40 EJEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccccc1 12960229 CJPMJZUDIRCUIC-OCKHKDLRSA-N 337.206 4.525 30 40 EJEB C=CCOc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 20241945 PWTCSCBZKTXAIU-UHFFFAOYSA-N 341.476 4.740 30 40 EJEB O=C1c2ccccc2-c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc21 101031402 LKXHTHLQRIALFQ-CIAFOILYSA-N 328.327 4.557 30 40 EJEB CCCCCCCCCCCCOC(=O)[C@H](N)Cc1ccc(O)cc1 104206655 OUXAYARXDJUWFD-HXUWFJFHSA-N 349.515 4.726 30 40 EJEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408768668 ZWJODFNXHWFKCR-LPYMAVHISA-N 344.374 4.625 30 40 EJEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2sccc2C)S1 409001456 VZLYISIHNBTJFW-ZSOIEALJSA-N 348.880 4.910 30 40 EJEB CCN(CC)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 283399 GWIKSNVVBOGXPY-XDHOZWIPSA-N 331.803 4.845 30 40 EJEB N#Cc1ccccc1OC(=O)/C=C/c1ccc(-c2ccccc2)s1 7814576 JKMDZLDYSVUCDB-ACCUITESSA-N 331.396 4.906 30 40 EJEB Cc1ccccc1/N=C\c1cccc(OCC(=O)Nc2ccccc2)c1 8570943 CVWVJPBEOUYBJN-HAHDFKILSA-N 344.414 4.763 30 40 EJEB CCOC(=O)c1ccc(Nc2c(C#N)cnc3ccc(CC)cc23)cc1 23119213 ZFNCHIBEMWCILA-UHFFFAOYSA-N 345.402 4.589 30 40 EJEB CN1C=C/C(=C\C=C\C=N\c2ccc(C(=O)O)cc2)c2ccccc21 85397601 KXHNDTIROIZVQO-WWUOTPTLSA-N 330.387 4.690 30 40 EJEB O=C1/C(=C\c2ccccc2Br)CSc2ccc(F)cc21 96021848 HYURTAHSNVUGGL-XFFZJAGNSA-N 349.224 4.960 30 40 EJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(OC)cc2OC)C1 408564139 UZLXWVAZAUIZFS-SZGUKTLCSA-N 331.456 4.805 30 40 EJEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(F)cc1 408853187 ZKUSNERUMQWNLE-UHFFFAOYSA-N 349.199 4.708 30 40 EJEB C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 372936 XTOAXNCVFKLQHT-LTGZKZEYSA-N 325.408 4.672 30 40 EJEB CCOc1ccc(/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 3115010 RLRRNHSSFKALQU-XSFVSMFZSA-N 335.363 4.535 30 40 EJEB C=C[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 6166325 SXYGBCZXKVKOAF-YAFRSCOQSA-N 343.379 4.697 30 40 EJEB Clc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1N1CCCCC1 100384185 AKCYTHLTOKTAKC-CIAFOILYSA-N 342.826 4.810 30 40 EJEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 222369682 SHVMYTQKYXOYAT-LQWHRVPQSA-N 347.414 4.776 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1ccccc1F 5376947 JLRKCWOVQAZULR-PDGQHHTCSA-N 348.402 4.871 30 40 EJEB CN(C)c1ccnc(Nc2ccc(Oc3ccccc3)cc2)c1C#N 36382156 YFLBLAUZHXPHCP-UHFFFAOYSA-N 330.391 4.555 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118930612 SOMOGWLYTLQJGT-NTSZXJHNSA-N 336.903 4.836 30 40 EJEB CCOC=Nc1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccccc1 245239563 KMZHLUOOEKXSMG-UHFFFAOYSA-N 345.402 4.721 30 40 EJEB O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1 1390022 PFQVSGPWNPRBFL-DEDYPNTBSA-N 337.400 4.518 30 40 EJEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 7017119 VWQAUXGYSPCPSA-MEBBXXQBSA-N 345.295 4.528 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 20491227 XISGAJZBHWHGAV-LJQANCHMSA-N 339.435 4.664 30 40 EJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 71974069 ULJOJMSGJSWPSE-BLQWBTBKSA-N 342.479 4.616 30 40 EJEB in-vitro CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409092498 ZCRMZFMJXTUWNW-OWGFIJSYSA-N 337.345 4.724 30 40 EJEB N#CCSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 1893886 WNELKZWUSDGTJZ-UHFFFAOYSA-N 333.441 4.964 30 40 EJEB CC(C)n1c(S[C@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl 7058866 ZKUYNVJURIWEJR-SECBINFHSA-N 341.267 4.837 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Cl)s3)S2)cc1 15227099 GDKDZKKXWYRNCZ-XYOKQWHBSA-N 334.853 4.602 30 40 EJEB CCOc1ccc2ncc(C#N)c(Nc3cccc(SC)c3)c2c1 16840757 DFGSNQWTUKFHCI-UHFFFAOYSA-N 335.432 4.971 30 40 EJEB c1ccc(COc2cc(OCc3ccccc3)cc([C@H]3CO3)c2)cc1 22052432 IXYYQIMVOHFSDN-JOCHJYFZSA-N 332.399 4.916 30 40 EJEB in-vitro CC(C)c1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 59483081 UJQJWUBXGONAOX-GZTJUZNOSA-N 325.795 4.808 30 40 EJEB CCCCCCC/N=c1/ssc(=O)n1CCCCCCC 104039198 NOZPXJROUSNKIE-BMRADRMJSA-N 330.563 4.813 30 40 EJEB C=CCOc1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225868788 OHFASVRDFIMLHE-UHFFFAOYSA-N 342.464 4.600 30 40 EJEB CC(C)OCc1nc(-c2cn(CCC#N)c3ccccc23)cs1 594660138 KVRRLBJBGSVBHD-UHFFFAOYSA-N 325.437 4.603 30 40 EJEB O=C(/C=C/c1cccc(O)c1)c1ccc(-n2cnc3ccccc32)cc1 7132590 GDQXINZFJVOYEQ-MDWZMJQESA-N 340.382 4.627 30 40 EJEB Cc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 9341658 RBRRMMLHADEWBB-WQRHYEAKSA-N 336.387 4.563 30 40 EJEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 13467539 MDNGMSUEQHCTAJ-KTKRTIGZSA-N 325.261 4.533 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)o1 100384195 SSCRRVMCHLBLDA-WOJGMQOQSA-N 333.775 4.582 30 40 EJEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc12 408912231 QBHNZXCIIJZLSJ-MOSHPQCFSA-N 335.363 4.593 30 40 EJEB O=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1Cl 409070899 ZQQCVAYAGVVCAX-LZYBPNLTSA-N 339.576 4.761 30 40 EJEB Cc1cccc([C@@H](C#N)c2nc3ccccc3nc2C(F)(F)F)c1 1382055 KBSMMFJXDNUTJH-CYBMUJFWSA-N 327.309 4.613 30 40 EJEB C=CCOc1cc2c(cc1[C@H](CC)c1ccc(OC)cc1)OCO2 1582283 BNYAKCHYWDHNEA-MRXNPFEDSA-N 326.392 4.531 30 40 EJEB Oc1ccc2ccccc2c1/C=N/Nc1nnc(Cl)c2ccccc12 5669514 QFTMASWMTMVXNP-SRZZPIQSSA-N 348.793 4.588 30 40 EJEB Cc1cccc(CCNc2cc(C)c(C#N)c3nc4ccccc4n23)c1 6187992 GLEJRPMYLVGYAS-UHFFFAOYSA-N 340.430 4.631 30 40 EJEB C=CCOc1c(Cl)cc(CN[C@@H](C)c2ccccc2)cc1OC 8534229 KGEMUQVILNWWHV-AWEZNQCLSA-N 331.843 4.764 30 40 EJEB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CC#N)cc1 20038280 NCKXIASRAPNGQZ-NRFANRHFSA-N 344.414 4.702 30 40 EJEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1cccc(F)c1 40139523 IOJDJCCOAJGHAS-FMIVXFBMSA-N 333.362 4.696 30 40 EJEB FC(F)(F)C(F)(F)Oc1ccc(OC(F)(F)C(F)(F)F)cc1 68590866 KNIQTUWQNLERNU-UHFFFAOYSA-N 346.120 4.754 30 40 EJEB CC[C@@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Cl 408595744 NBAIXEQLLNIOFX-LVCXCXRVSA-N 342.826 4.940 30 40 EJEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N=C2O)ccc1O 6464481 GBMPYCLZAXOVNI-WJDWOHSUSA-N 340.404 4.523 30 40 EJEB CC(C)CCOc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 6625608 LNADQAKNVXNADH-FMIVXFBMSA-N 339.391 4.916 30 40 EJEB Cc1sc2nc(-c3cccs3)nc(N[C@H](C)CC#N)c2c1C 58330707 BKIXVIVELWKSBY-SECBINFHSA-N 328.466 4.751 30 40 EJEB C=CCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 219809246 XIDRFUGQJLQIJA-INIZCTEOSA-N 325.477 4.716 30 40 EJEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 409212367 QMMPTHZWFWIWOQ-KGENOOAVSA-N 332.359 4.924 30 40 EJEB CCCCCCCCOc1cc2cc(=O)oc3cc(O)cc(o1)c23 1708676 FRRPOBZIJHMHEG-UHFFFAOYSA-N 330.380 4.984 30 40 EJEB COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 6156998 VBTDOJIJGQKEOB-FQEVSTJZSA-N 337.444 4.961 30 40 EJEB CN(CCC#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6543373 MZWUOCJMWKOBEO-UHFFFAOYSA-N 344.867 4.618 30 40 EJEB C/C(=N\c1cccc2cccc(N)c12)c1cc2ccccc2oc1=O 13407026 XFVUEVREFKIXGH-YDZHTSKRSA-N 328.371 4.669 30 40 EJEB c1ccc(/N=C2\O[C@@H](COc3ccccc3)CN2c2ccccc2)cc1 13511534 OYWOXRIHKJOTHN-XSSWQJIQSA-N 344.414 4.659 30 40 EJEB CCCCCn1c(/N=C\c2nc3ccccc3n2C)nc2ccccc21 33386950 HQQWOKZDOOXGOK-JCMHNJIXSA-N 345.450 4.864 30 40 EJEB Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)sc1C 41559348 YTVHKRYTZNPRQG-LLVKDONJSA-N 345.374 4.600 30 40 EJEB Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 408593323 PGZDKXZICGLWPI-BKUYFWCQSA-N 349.390 4.553 30 40 EJEB C/C(CC(C)(C)c1ccccc1)=N\NC(=S)Nc1ccccc1 409185692 OSIAHUXPMPDKCM-RCCKNPSSSA-N 325.481 4.717 30 40 EJEB CCN1C(=O)/C(=C\c2ccccc2C)S/C1=N/c1ccc(F)cc1 409236159 DOHBVVMUBHULBE-HWWZFDGNSA-N 340.423 4.758 30 40 EJEB O=C1C(=Cc2cccc(OCc3ccccc3)c2)C(=O)c2ccccc21 116679 CKHXEZPSWJPQHG-UHFFFAOYSA-N 340.378 4.728 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C2\C=C(c3ccccc3)c3ccccc32)cc1 13407657 WMBINHUNUIBDMJ-XTQSDGFTSA-N 341.370 4.856 30 40 EJEB CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 28874579 CLSSUUIOPLCVIK-ZDUSSCGKSA-N 341.842 4.774 30 40 EJEB CCc1ccc(C(=O)/C=C\O/C=C\C(=O)c2ccc(CC)cc2)cc1 33374014 JLOLTIILBGWVSM-VMNXYWKNSA-N 334.415 4.921 30 40 EJEB CCCCCCCCCCCCNC(=O)CSc1nccn1C 100944058 BTUAKHRGHKGLHP-UHFFFAOYSA-N 339.549 4.549 30 40 EJEB C=CCOC(=O)c1ccc(OCc2ccccc2Cl)c(OCC)c1 216821799 ANFMELDGYUXOHA-UHFFFAOYSA-N 346.810 4.661 30 40 EJEB C=CCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc23)c1 216850229 IGHRCRAWECANEF-UHFFFAOYSA-N 348.398 4.770 30 40 EJEB CCN(CC)c1ccc(/C=C2/Sc3ccccc3C2=O)c(O)c1 208123 BELDYRUVTOMCCD-WOJGMQOQSA-N 325.433 4.568 30 40 EJEB Cc1cc(C)c(C#N)c(Nc2cc(C(F)(F)F)ccc2Cl)n1 278513 RFDRILKUZGAASP-UHFFFAOYSA-N 325.721 4.986 30 40 EJEB C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(C(=O)O)cc1 346307 SQYRBODOBCAROZ-UHFFFAOYSA-N 345.402 4.622 30 40 EJEB CCCCCCCCCCCCCCC[C@H](O)C[N+](C)(C)CCO 14163555 GLZVNTUEYCEXGP-NRFANRHFSA-N 344.604 4.897 30 40 EJEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 30882479 WAPGLQQBICJONE-HBFSDRIKSA-N 342.458 4.600 30 40 EJEB biogenic,in-vitro COc1ccc(/C=C/C(=O)c2c(Cl)n(C)c3ccccc23)cc1 96026278 CUVJHJCKOAGZFN-FMIVXFBMSA-N 325.795 4.736 30 40 EJEB C(=N/c1cccc(-c2nc3ccccc3[nH]2)c1)\c1nc2ccccc2[nH]1 97165845 FJZABTXTXJEGJK-LPYMAVHISA-N 337.386 4.857 30 40 EJEB O=[N+]([O-])C(/N=N\c1ccc(Cl)cc1)=N\Nc1ccc(Cl)cc1 104111219 GOKHYVPGRILSNA-MAFYCXDASA-N 338.154 4.737 30 40 EJEB CCCCCCCCCCCCCCCCNC1=NOC[C@H]1N 104358994 GWRFQNCKRGJRGO-GOSISDBHSA-N 325.541 4.728 30 40 EJEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N 225846701 JHWGBLYFPJABES-FQEVSTJZSA-N 346.471 4.659 30 40 EJEB C=CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 5016036 UDTHPBFRDQAIOI-UHFFFAOYSA-N 329.705 4.535 30 40 EJEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 6494900 YOWSEONEISQFDR-UHFFFAOYSA-N 345.836 4.649 30 40 EJEB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C 7756673 JUFBXLPOXXITSU-UHFFFAOYSA-N 347.443 4.859 30 40 EJEB O=C(Cc1ccccc1)/C(Cc1ccccc1)=N/Nc1ccccc1 13402526 YOCVIESOCFYSJA-DARPEHSRSA-N 328.415 4.509 30 40 EJEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)c1 33669120 IXARJRDTHMQGLG-HAVVHWLPSA-N 332.432 4.767 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccccc3)o2)nc1 409118328 PYEUWWOOCAUGEV-SSDVNMTOSA-N 331.297 4.806 30 40 EJEB Cc1cccc(CO/N=C2/C(=O)N(c3ccccc3)c3ccccc32)c1 1403309 LMKFVJHQWLSMJX-XTQSDGFTSA-N 342.398 4.594 30 40 EJEB O=C1Nc2ccccc2N/C1=C/C(=N/c1ccccc1)c1ccccc1 5589495 GBJUBJSTLPUYLG-GFPFRGAQSA-N 339.398 4.756 30 40 EJEB CCCCC(=O)Nc1ccc(/N=C/c2cc(C)ccc2O)cc1OC 32115345 DDZOOEGALXBPJB-FYJGNVAPSA-N 340.423 4.589 30 40 EJEB CCCCCCCc1nnc(NC(=O)Nc2ccccc2F)s1 97951674 ORWCWYMPMNOHRC-UHFFFAOYSA-N 336.436 4.834 30 40 EJEB CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N/c1ccc(F)cc1 409246945 LNFDIXIORLZGNI-HWWZFDGNSA-N 340.423 4.758 30 40 EJEB CCCCCCOc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 3274049 XXPAPLSLDFPYQE-KGENOOAVSA-N 337.423 4.566 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC 8368499 SYRMRMPGJSOWKH-CIAFOILYSA-N 327.811 4.728 30 40 EJEB COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)sc2C)cc1 68233930 HXROJFXYTRKLGT-UHFFFAOYSA-N 348.427 4.856 30 40 EJEB C/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671173 RYUIEKVXZQICBY-ZPYNKGFJSA-N 326.105 4.598 30 40 EJEB CC(C)(C)c1cnc(N=C(O)c2cccc([C@H]3CCOC3)c2)s1 328901116 YRWDRKISXYBTGZ-AWEZNQCLSA-N 330.453 4.581 30 40 EJEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1Cl 409010515 FGGKNEAZWITOIX-DQAKUKQTSA-N 331.799 4.966 30 40 EJEB C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 2346373 VRBACAGUBDCXMU-UHFFFAOYSA-N 346.521 4.730 30 40 EJEB CCCCCCCCn1c(S)nc2sc3c(c2c1=O)CCC3 3228248 BSEXUTXHASMFIA-UHFFFAOYSA-N 336.526 4.596 30 40 EJEB Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 5617814 NERKTQZFNARWSS-OFUCEVFWSA-N 337.394 4.595 30 40 EJEB CCc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 226759007 XJCWBHDESBUTQV-UHFFFAOYSA-N 334.806 4.796 30 40 EJEB N#Cc1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 351188 IDWBZHHPWWYHDO-UHFFFAOYSA-N 330.840 4.794 30 40 EJEB O=C(/C=C/[n+]1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1 4276986 DXTYKWOOSZTJDD-WYMLVPIESA-N 334.826 4.572 30 40 EJEB C/C(=N\Nc1nc(C)cc(C)n1)c1cc2c(ccc3ccccc32)o1 7782782 RBDOXQBXZISQBM-OEAKJJBVSA-N 330.391 4.829 30 40 EJEB Cc1ccc(N/N=C(\Cl)P(=O)(OC(C)C)OC(C)C)cc1 13512335 ATJDQZUQMKFNRB-SAPNQHFASA-N 332.768 4.960 30 40 EJEB N#CCC[C@](C#N)(c1ccccc1)C1CCN(Cc2ccccc2)CC1 33607449 DYAREKOTPJQVFN-QHCPKHFHSA-N 343.474 4.664 30 40 EJEB N#Cc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 4775584 ZGLYKMCMVFNJRF-UHFFFAOYSA-N 326.399 4.596 30 40 EJEB COc1ccc(NC(=S)N/N=C(\C)c2ccc3ccccc3c2)cc1 4871753 WLAJIOUEBNSFBA-HYARGMPZSA-N 349.459 4.559 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1ccc(F)cc1 5377006 LURDOAHNTNAJAA-PDGQHHTCSA-N 348.402 4.871 30 40 EJEB Cc1cccc(Oc2ccccc2NC(=O)c2cccc(C#N)c2)c1 7974345 TWLYDSJHAZRKSO-UHFFFAOYSA-N 328.371 4.911 30 40 EJEB CCCCCCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 8456763 AUOUVIGDPICYMP-XWSJACJDSA-N 349.515 4.546 30 40 EJEB CCCCOc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1 100245457 STJARMGUCGYELR-VTGAJVDQSA-N 347.414 4.766 30 40 EJEB biogenic,in-vitro C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 408677184 AVZIJVXMSHMQMO-GOSISDBHSA-N 345.826 4.701 30 40 EJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 428105 AAFCZIVLTILZBR-IFMALSPDSA-N 348.442 4.623 30 40 EJEB C[C@H]1CN(C(=O)c2ccc(F)cc2)/C(=N/c2ccccc2Cl)S1 499381 PWSSZXSRBCWDKO-QKRFLKLASA-N 348.830 4.744 30 40 EJEB N#Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 6258325 DKKZAVUJQFFLPM-UHFFFAOYSA-N 339.807 4.587 30 40 EJEB CCO/C=N\c1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccccc1 18202338 KMZHLUOOEKXSMG-HAHDFKILSA-N 345.402 4.721 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1ccc(F)cc1Cl 44835842 JYLRSAHSLXCAHM-REZTVBANSA-N 328.568 4.698 30 40 EJEB Cc1ncsc1C(=O)/C=C/c1ccccc1OCc1ccccc1 46882339 HMAYSGXTVFFARW-VAWYXSNFSA-N 335.428 4.927 30 40 EJEB CC[C@@H](C)c1ccc2c(c1)N/C(=C/C(=O)c1ccc(C)cc1)C(=O)O2 101355906 NQSJVMPXCJYOBH-CRRKTRLDSA-N 335.403 4.606 30 40 EJEB Oc1ccc2ccccc2c1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1 101581292 UWFRVXQVAIHVLF-KEYNLRLVSA-N 328.375 4.875 30 40 EJEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1 225880673 YAEPQNGSAUMKTF-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB N#CCC1(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)CC1 685938893 LJRKARQAFBYRIQ-GOSISDBHSA-N 326.827 4.527 30 40 EJEB N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCCCC2)cc1C#N 556264 GYGXICJUQMUULY-UHFFFAOYSA-N 337.810 4.866 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225538089 VRGNSUXLWJYPDD-MRXNPFEDSA-N 340.492 4.916 30 40 EJEB COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc(C)cc2)o1 408691891 WNUARHFXWITTGG-ACCUITESSA-N 346.382 4.938 30 40 EJEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408791433 YTAOSHAWFNBLCL-UCQKPKSFSA-N 336.410 4.861 30 40 EJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccccc1 2103296 PWITVBRFSDZGKB-MOSHPQCFSA-N 342.350 4.522 30 40 EJEB biogenic CCCCCCCCOCCNC(=O)c1cccc2ccccc12 3127116 DWSGALCDZUXENA-UHFFFAOYSA-N 327.468 4.947 30 40 EJEB C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 58305650 JAJSDHKQCDICSC-ZDUSSCGKSA-N 346.390 4.784 30 40 EJEB CCn1c(N/N=C/c2ccc(Cl)cc2Cl)nc2ccccc21 408692624 QZHXFEYUJJSHOH-VXLYETTFSA-N 333.222 4.809 30 40 EJEB C=C(C)COc1ccc2c(=O)c(Oc3cccc(OC)c3)coc2c1 387289 KOAUNEKOBFHIHF-UHFFFAOYSA-N 338.359 4.549 30 40 EJEB biogenic C=CCn1c(SCc2cccc(F)c2)nnc1-c1cccc(C)c1 4357294 RYCNETVDTYIVIC-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB CCN(C(=O)/C=C/c1ccc(C#N)cc1)c1nc2c(C)cccc2s1 6879834 QZEFXJRHBKROTL-VAWYXSNFSA-N 347.443 4.543 30 40 EJEB N#Cc1nc(CCC2CCCCC2)oc1NCCc1cccs1 96346482 KGXKCTULTVLPEU-UHFFFAOYSA-N 329.469 4.775 30 40 EJEB Cc1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1Br 100100799 MFOOARBMHSJRRK-CYVLTUHYSA-N 342.192 4.517 30 40 EJEB Fc1cc(/C=N/c2ccc(Br)cc2)ccc1N1CCCC1 409083399 AHQURSLPOINHBV-UDWIEESQSA-N 347.231 4.939 30 40 EJEB C[C@H]1CCCN(c2oc(Cc3cccc4ccccc34)nc2C#N)C1 27742792 AARPVWCSUGZXPR-HNNXBMFYSA-N 331.419 4.527 30 40 EJEB CC(C)=NNc1nc2cc(NC(=O)c3ccccc3C)ccc2s1 72229717 XBLPUQIWGLZZKB-UHFFFAOYSA-N 338.436 4.665 30 40 EJEB Cc1cccc(Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)c1 225856107 OZMRDNWDNDIMRV-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB CC1(C)CC(=O)C(Sc2ccc(Br)cc2)=C(O)C1 84734 RDHYEJFFAJGIHF-UHFFFAOYSA-N 327.243 4.700 30 40 EJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 183196 WLYGXKYDBOJKSF-UHFFFAOYSA-N 332.451 4.975 30 40 EJEB C=C(C)CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6238185 JUDVPZVACRDQLL-UHFFFAOYSA-N 342.308 4.587 30 40 EJEB CCOc1ccc(N/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1 6393557 XAUGFFWAIKXCPP-BQYQJAHWSA-N 325.452 4.796 30 40 EJEB Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 8548737 MJWMFWVUKXTLOR-INIZCTEOSA-N 342.826 4.837 30 40 EJEB COc1ccc(/N=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 95548724 JLDIEUXAGMIJGY-QZQOTICOSA-N 330.343 4.753 30 40 EJEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2)C(=O)N1CC 408914584 OHFXBZCFAUZFJU-HOOMGSECSA-N 336.460 4.873 30 40 EJEB N#CCc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c(Cl)c1 529433111 FBAUINOUPMESNC-HZPDHXFCSA-N 342.801 4.677 30 40 EJEB N#CCSc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1 2933034 BCZQYUJUZHUTRX-UHFFFAOYSA-N 340.839 4.511 30 40 EJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccccc2)o1 5557309 FECLMXXIAKYNPH-QGOAFFKASA-N 346.411 4.838 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OC 8110648 REMLCZGWURLFQL-UHFFFAOYSA-N 336.218 4.626 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709404 BCKPJQKUGTWRGO-INIZCTEOSA-N 347.414 4.811 30 40 EJEB CC1=CC(=O)[C@@]2(C)C(c3ccccc3)=C(Cc3ccccc3)N(C)[C@@H]2C1 90373733 AYHWOFRGVYNNHK-QPPBQGQZSA-N 343.470 4.880 30 40 EJEB C=CCc1cccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 95471156 WSUASTHJXYIJNP-UHFFFAOYSA-N 330.387 4.682 30 40 EJEB Cc1c(/C=N\c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1C 408846325 MVBBUOZILGFVSK-GRSHGNNSSA-N 327.771 4.799 30 40 EJEB O=C(Nc1ccccc1)O/N=C/C1=C(Cl)c2ccccc2CC1 4091927 KADUQFQJLZZVOV-UDWIEESQSA-N 326.783 4.817 30 40 EJEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(C)(C)C)cc1 7606219 WWZXFLHHSODGLG-IFXJQAMLSA-N 332.513 4.519 30 40 EJEB Fc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408812007 NHCMESUEESBIRT-ZDLGFXPLSA-N 337.192 4.532 30 40 EJEB COc1ccc(N/C=C/C(=O)c2cccc3ccccc23)c(OC)c1 409182918 QBVJBHSKBSUFRM-OUKQBFOZSA-N 333.387 4.666 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2c(Cl)cccc2Cl)nc1 4181655 JTEVBLZLUBWTIG-IFRROFPPSA-N 334.128 4.853 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13708652 GHOORAITHHOVFE-INIZCTEOSA-N 347.414 4.811 30 40 EJEB CN[C@@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)C1=O 38628749 KQBLYDZKTIEVTF-MENFKHAKSA-N 331.868 4.653 30 40 EJEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 59795546 CJPDYBOENSLWBC-UHFFFAOYSA-N 327.840 4.866 30 40 EJEB C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(F)cc1Cl 69588925 UKAFRADHCNGEOH-NSHDSACASA-N 348.830 4.983 30 40 EJEB C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)ccc1OC 218659025 FFCICYFKHUHISU-FQEVSTJZSA-N 337.463 4.922 30 40 EJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cccs2)S1 408877406 RKASOBKXIYTTCU-JYRVWZFOSA-N 334.853 4.602 30 40 EJEB O=[N+]([O-])c1ccccc1OCCCC(F)(F)C(F)(F)C(F)(F)F 1565673171 DHGYDNDBVFNXAQ-UHFFFAOYSA-N 349.202 4.587 30 40 EJEB C(=N/n1cnnc1SCc1ccccc1)\c1cccc2ccccc12 147647 KBFURUPSLPDSPD-LPYMAVHISA-N 344.443 4.606 30 40 EJEB COc1ccc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)cc1 4957574 ZYYWEBGPRFGCRD-GHRIWEEISA-N 345.354 4.853 30 40 EJEB COc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC#N 15349096 OTTSMLAVCZYQJA-QPJJXVBHSA-N 330.387 4.625 30 40 EJEB CN[C@@]1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O 34966923 NMIRKZWCHKQRAV-FZWACIFYSA-N 325.839 4.591 30 40 EJEB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C#N 225758795 ISUGTQLJNDJUDX-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCCCC3)cc2)c1 408961385 SJDGDTZQJNRCFC-PXLXIMEGSA-N 336.435 4.523 30 40 EJEB O=C1ON(Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 1617782 IQXHEJKTOMMTKU-HXUWFJFHSA-N 330.387 4.759 30 40 EJEB CCOc1ccc(/N=C2/Oc3ccccc3[C@@H]3SCCCN23)cc1 4968556 UXMJCSCJWNXVRE-NQKFGRBQSA-N 340.448 4.603 30 40 EJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C#N)C1 5901904 VGGAFJPLVRJOMV-LLVKDONJSA-N 328.437 4.616 30 40 EJEB CCCCCCCNC1=CC(=O)C[C@H](c2ccc(OC)c(OC)c2)C1 8410279 QIPGYAQKFPWBOT-QGZVFWFLSA-N 345.483 4.594 30 40 EJEB FC(F)(F)c1cc(Cl)c(N/N=C/c2cccnc2)c(Cl)c1 66091312 NYCBYYOHQAUCAB-IFRROFPPSA-N 334.128 4.853 30 40 EJEB CCC/C(Cl)=N/OC(=O)Nc1cc(C(F)(F)F)ccc1OC 73242092 ZZHGIYUQMJULBM-ODLFYWEKSA-N 338.713 4.615 30 40 EJEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408943780 MAYPMDNIANMPLV-KEBDBYFISA-N 342.782 4.789 30 40 EJEB O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(ccc3ncccc13)N2 1442613 XKRFSKOTVDXCFX-HXUWFJFHSA-N 342.398 4.505 30 40 EJEB CC(C)C1=CC(=NC(=O)c2ccc(Cl)cc2)C=C(C(C)C)C1=O 3073833 LKNPDGIYGFRSAV-UHFFFAOYSA-N 329.827 4.669 30 40 EJEB O=[N+]([O-])c1cccc(N/N=C/c2cccc(OCc3ccccc3)c2)c1 4923059 XHPVLXGXRNEFTC-KGENOOAVSA-N 347.374 4.620 30 40 EJEB N#Cc1ccccc1COC(=O)c1cccc(Oc2ccccc2)c1 6601666 RQEFBWCHOWKZIC-UHFFFAOYSA-N 329.355 4.708 30 40 EJEB Cc1cc(C)c2c(n1)sc1c(-c3ccccc3)nc(N)c(C#N)c12 21964582 ADYVUQWQEPXKTR-UHFFFAOYSA-N 330.416 4.582 30 40 EJEB N#Cc1cccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 24964860 GDJILTQRWYJQSR-UHFFFAOYSA-N 331.346 4.507 30 40 EJEB C[C@@H]1Oc2ccccc2C=C1/C=N/N=C/C1=Cc2ccccc2O[C@H]1C 27018763 INHNHGUBWMXLHV-AVJRFCSFSA-N 344.414 4.772 30 40 EJEB Clc1ccccc1/N=C\c1ccccc1I 408550638 IPLIIMSWCOKBKP-SXGWCWSVSA-N 341.579 4.695 30 40 EJEB Cc1ccc(-c2ccc(/C=N/c3ccc(F)cc3F)o2)cc1C(=O)O 4739140 NHRMIDRVAMWEHU-LSHDLFTRSA-N 341.313 4.982 30 40 EJEB N#C[C@H]1c2ccccc2O[C@H](c2ccccc2O)N1c1ccccc1 5495445 NGSLQPUXZJMKEY-GHTZIAJQSA-N 328.371 4.555 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl 8116401 NKWCFBDDNCSUCG-RGVLZGJSSA-N 334.202 4.765 30 40 EJEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccoc3C)n2)c1C 10255974 NUWGJCMOYYDWAO-UHFFFAOYSA-N 341.436 4.568 30 40 EJEB Cc1nc(-c2ccc(O)cc2)sc1C(=O)/C=C/c1ccccc1F 12735929 PDGRPTPNXUKVEZ-DHZHZOJOSA-N 339.391 4.859 30 40 EJEB CC(C)[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 104300580 OBTBUXZQFKXPLD-XJEIEIMISA-N 337.423 4.959 30 40 EJEB C=CCc1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC 223441090 NBPYCXUBPPFXOZ-KRWDZBQOSA-N 337.463 4.840 30 40 EJEB Cc1cc(OCC(=O)Nc2sc(C)c(C)c2C#N)cc(C)c1Cl 4554537 ALYILMCHRNZDPT-UHFFFAOYSA-N 348.855 4.524 30 40 EJEB CC/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccc(C)cc1 6392608 AXZZDQKVMQAXMZ-WUWLJUPKSA-N 349.503 4.945 30 40 EJEB Cc1ccc(Sc2cc(C#N)c(C#N)cc2N2CCCCC2)cc1 35146717 ALBMFFUYNRXKDM-UHFFFAOYSA-N 333.460 4.880 30 40 EJEB COc1ccc(N/C=C/C(=O)c2cc(Cl)sc2Cl)cc1 100364544 RFCOCUOSOYJBNY-VOTSOKGWSA-N 328.220 4.872 30 40 EJEB O=[N+]([O-])c1ccc(CON=C(c2ccc(Cl)cc2)C2CC2)cc1 254703729 LZLLLIXVUHWOKV-UHFFFAOYSA-N 330.771 4.579 30 40 EJEB Cc1ccccc1CO/N=C/c1ccc(Oc2ccc(F)cc2)nc1 4106354 CCMHKSOISYLLKX-YDZHTSKRSA-N 336.366 4.872 30 40 EJEB Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)o1 13768373 OVNVUYGMDAHURQ-NDENLUEZSA-N 332.355 4.783 30 40 EJEB C=CCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820434 IZSBTWNKVMOBSK-UHFFFAOYSA-N 338.480 4.633 30 40 EJEB CC(C)c1ccc(SCC(=O)NC2(C#N)CCCCCC2)cc1 27685790 XLRPIGCSOCESNL-UHFFFAOYSA-N 330.497 4.635 30 40 EJEB CC(C)=NNc1nc2c(cc(C)c3nc(NN=C(C)C)sc32)s1 57327738 KAIUBIHRQIFYJM-UHFFFAOYSA-N 346.485 4.830 30 40 EJEB C/C(N[C@H](C)[C@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749050 FTBDZFXCBOAPHD-WTTNLPQBSA-N 327.512 4.556 30 40 EJEB CC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083806290 DSRMGHAIAFPXQX-UHFFFAOYSA-N 342.148 4.515 30 40 EJEB CCOC(=O)c1c(/N=C/c2ccccc2OCC)sc2c1CCC2 561285 ZYQMPKOPFMYBES-UDWIEESQSA-N 343.448 4.563 30 40 EJEB N#Cc1ccc(-c2ccc(OCCOc3ccccc3F)cc2)cc1 3286038 KADWZNFGTAXUHX-UHFFFAOYSA-N 333.362 4.822 30 40 EJEB CC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C[C@@H]2c1ccccc1 4597891 SIJHDAJEDHLNAO-GOSISDBHSA-N 344.458 4.811 30 40 EJEB CC[C@H](C)n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O 4949227 KDSLBPDYLQVTBG-AWEZNQCLSA-N 349.459 4.531 30 40 EJEB C(=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)\c1ccc2c(c1)OCO2 6315930 CZYAZTWZOYCWEW-WSDLNYQXSA-N 341.370 4.709 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)cc1 225856351 QGGWLPMGNHEBSW-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3C#N)o2)cc1 408652798 IJFAUUXOSUDSKD-ZRDIBKRKSA-N 329.355 4.723 30 40 EJEB Cc1ccc(-n2c(C)cc(C=C3C(=O)CC(C)(C)CC3=O)c2C)cc1 3219148 VOKIGYWNBZPHBS-UHFFFAOYSA-N 335.447 4.744 30 40 EJEB O=[N+]([O-])c1ccc(CO/N=C(/c2ccc(Cl)cc2)C2CC2)cc1 12368792 LZLLLIXVUHWOKV-HTXNQAPBSA-N 330.771 4.579 30 40 EJEB O=C1/C(=C\c2ccc(Cl)cc2)CNC/C1=C/c1ccc(Cl)cc1 16953564 LBNHBGZGFHYLAA-VULZFCBJSA-N 344.241 4.633 30 40 EJEB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760255 MMOOLQKBFAZXKO-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(F)cc1 408592712 NOKHSNTZSQKQOA-ZMOGYAJESA-N 347.393 4.656 30 40 EJEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 66931 TXCHRCYRLITQHS-OVMKCGGTSA-N 340.448 4.512 30 40 EJEB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 2644105 OQIRJPQHNXYBAE-UHFFFAOYSA-N 342.826 4.661 30 40 EJEB C[C@@H]1CCc2sc(NC(=O)c3ccccc3Cl)c(C#N)c2C1 4070064 CDKZGPIJSJHKFA-SNVBAGLBSA-N 330.840 4.650 30 40 EJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C)o3)S2)cc1 5376665 QCHWVJWMBBVEAZ-SFQUDFHCSA-N 340.448 4.822 30 40 EJEB Oc1ccc(Br)cc1/C=N/c1cc(F)ccc1Cl 44835846 GNTMVGIBHFBODP-REZTVBANSA-N 328.568 4.698 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2ccccc2Br)cc1 51318853 QBHBPKAKUBDLSM-VAWYXSNFSA-N 346.224 4.656 30 40 EJEB CCO[C@H](C)c1nc(CNc2cc(C#N)ccc2OC(C)C)cs1 86203169 MXMNFKUBDLACFO-CYBMUJFWSA-N 345.468 4.512 30 40 EJEB CCCCCCCCOc1c(Br)cc(CO)cc1OC 102598629 YUJCYCDSWLIQRB-UHFFFAOYSA-N 345.277 4.689 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 222887200 NCNIOTKDKNCFGC-FQEVSTJZSA-N 339.435 4.610 30 40 EJEB COc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3)cc1)OCO2 409066824 PRFDIOAPIIBTMX-XKZIYDEJSA-N 347.370 4.967 30 40 EJEB C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Br)cc1 5257147 VYGXCRDGWHSBDI-ZHACJKMWSA-N 346.180 4.644 30 40 EJEB CCc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 5551592 NPCWARXZQSPZPU-PDGQHHTCSA-N 336.460 4.757 30 40 EJEB Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)C)c1 5809811 GMMWMLRSGQSQHI-NVMNQCDNSA-N 336.844 4.788 30 40 EJEB Cc1ccc(-c2cc(N3CCCC3)c(C#N)c3c2CSCC3)cc1 96319431 YUYWHJZCDFKCFV-UHFFFAOYSA-N 334.488 4.923 30 40 EJEB O=C1c2ccccc2-c2c(/N=C\c3ccc([N+](=O)[O-])cc3)cccc21 100488518 XCHUJOJHGPVIIA-MTJSOVHGSA-N 328.327 4.557 30 40 EJEB C=CCOc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1 408736891 BPBBSSYKEOBPEV-DEDYPNTBSA-N 335.432 4.821 30 40 EJEB C=CCn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1247464 SGWZAAOFZXNGER-UHFFFAOYSA-N 338.476 4.517 30 40 EJEB CCOc1ccc2ccccc2c1/C=N/OCc1ccccc1C#N 408589096 DANPQDIUDGRSIH-OEAKJJBVSA-N 330.387 4.661 30 40 EJEB Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccc(C)cc2)cc1 514240 OUNKUJZKODQHQU-UHFFFAOYSA-N 347.443 4.745 30 40 EJEB C=CCCOc1ccc(OC(=O)c2ccc(OCCC=C)cc2)cc1 3108548 GATJFAOWTVFOGS-UHFFFAOYSA-N 338.403 4.816 30 40 EJEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-c1ccccc1 3445296 WIJFKDICSPPLGN-MRXNPFEDSA-N 342.398 4.631 30 40 EJEB CC(C)c1nc(N2CCCCC2)c(C#N)c2c1CSC(C)(C)C2 20827701 MFBFRUMMMLIPKA-UHFFFAOYSA-N 329.513 4.635 30 40 EJEB N=C1S/C(=C\c2cccc3ccccc23)C(=O)[C@@H]1c1nccs1 33382773 XKVKRJWQAYJOHA-OGFIELIUSA-N 336.441 4.714 30 40 EJEB N#C[C@H](C(=O)Nc1cccc2ccccc12)c1nc2ccccc2s1 58293368 ZSFHGIMOSRQTKJ-OAHLLOKOSA-N 343.411 4.695 30 40 EJEB COc1cc(OC)c(/N=C\c2c(O)ccc3ccccc23)cc1Cl 95920276 GNCOPYUPLGOZEE-NHDPSOOVSA-N 341.794 4.967 30 40 EJEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCc1cccs1 96346297 IUVGKBHFCLEIHK-CVEARBPZSA-N 335.432 4.533 30 40 EJEB C=CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408706506 ALLQIZIQRHMQCA-UHFFFAOYSA-N 327.767 4.903 30 40 EJEB COC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 408852592 UQKTUNRDJGSDQE-BKUYFWCQSA-N 338.794 4.668 30 40 EJEB O=C(c1ccccc1)c1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1 288321 PYEIAFOEBGJTSH-XDHOZWIPSA-N 336.372 4.638 30 40 EJEB Oc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 3114486 GUNJCFKRPUEWSK-CIAFOILYSA-N 330.343 4.657 30 40 EJEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C)C1=O 17154997 WPYPTDXHCKHHJZ-FTIPTLOASA-N 347.443 4.710 30 40 EJEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccccc1 59426218 HHGNPTMOUYUXBE-PXLXIMEGSA-N 332.403 4.720 30 40 EJEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 408738466 XWZXMFAOVGJFFI-CIAFOILYSA-N 337.354 4.892 30 40 EJEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCOCC2)o1 409015385 ZOMBSTYDPLUFKD-CJLVFECKSA-N 347.418 4.610 30 40 EJEB CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(C)C 15107696 VGKZDJLRQAFVBK-VZUCSPMQSA-N 328.383 4.908 30 40 EJEB CCCCn1nc(C)c(/C=N/Nc2ccc3ccccc3n2)c1Cl 21360984 ZYKHSRYXLDZZQG-UDWIEESQSA-N 341.846 4.639 30 40 EJEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccccc3O)cc21 243595 KMGRWHBJEUQIKY-CIAFOILYSA-N 330.343 4.501 30 40 EJEB COc1ccccc1-n1cnc2cc(/N=C/c3cccs3)ccc21 2358192 JSHWVQFPBYXKIM-UDWIEESQSA-N 333.416 4.846 30 40 EJEB N#Cc1c(NC(=O)OCc2ccccc2)sc2c1CCCCC2 3306524 SZIDTYXCKKJQIY-UHFFFAOYSA-N 326.421 4.637 30 40 EJEB C=CCOc1cccc(NC(=O)CCSc2ccc(C)cc2)c1 60512714 VVBAAXHOKVYLFK-UHFFFAOYSA-N 327.449 4.681 30 40 EJEB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C 84671114 LTWQZVNMZDTDFL-NHCUHLMSSA-N 344.458 4.658 30 40 EJEB CCCCCCCCCOC(=O)CSC(=S)N(CC)CC 100070863 JJKCXKFYKGTIPV-UHFFFAOYSA-N 333.563 4.640 30 40 EJEB CCCCCCCc1ccc(C(=O)O)cc1I 100082837 ZHLGDXUHUDXKDL-UHFFFAOYSA-N 346.208 4.502 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 408576043 QQFBINGNUDUUBU-OAHLLOKOSA-N 327.449 4.679 30 40 EJEB C=CCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OCC 408623206 RPQOSYPXDFJIPG-UHFFFAOYSA-N 345.826 4.864 30 40 EJEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(Cl)cc1 5474882 VNEVZSAONQVOIM-JVCXIRSZSA-N 343.810 4.582 30 40 EJEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 7017122 VWQAUXGYSPCPSA-ZUZCIYMTSA-N 345.295 4.528 30 40 EJEB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C#N 225840952 DTCMTKPXOHJQLF-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB C[C@H](C=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 255004289 XVPJEGGIGJLDQK-DOHUHWCYSA-N 328.496 4.970 30 40 EJEB O=C1C(=Cc2ccc(CCc3ccccc3)cc2)C(=O)c2ccccc21 2275782 DSTIISDBYJASHH-UHFFFAOYSA-N 338.406 4.934 30 40 EJEB C=CCc1ccc(OCc2nc3cc(Cl)ccc3[nH]2)c(OC)c1 16903963 AHYYYWSAVFWXMG-UHFFFAOYSA-N 328.799 4.532 30 40 EJEB biogenic CCOC(=O)c1cccc(N/C(C)=C/C(=O)c2ccc(Cl)cc2)c1 32100531 LYCPKUBWHLCWMD-ACCUITESSA-N 343.810 4.715 30 40 EJEB C=CCN(C(=O)c1oc(C)cc1C)c1nc(-c2ccccc2)cs1 97011974 OBQYXBVHYQKXON-UHFFFAOYSA-N 338.432 4.853 30 40 EJEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)nc2)n1 377646 GNFUZYQLUOCFAV-UHFFFAOYSA-N 343.761 4.621 30 40 EJEB C=C1c2cc3c(cc2C[C@]12Cc1cc4c(cc1C2=O)CCC4)CCC3 1855704 MDELAXAHDNITFF-DEOSSOPVSA-N 326.439 4.659 30 40 EJEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nnc(C(C)C)s2)c1 3168856 FLSBNWVRLHYSHB-UHFFFAOYSA-N 344.484 4.751 30 40 EJEB N#CCCSc1ccccc1NC(=O)c1ccc2ncsc2c1 4088503 GBJAKXSHXZFYFW-UHFFFAOYSA-N 339.445 4.554 30 40 EJEB CCN1C(=O)/C(=C\c2sccc2C)S/C1=N/c1ccc(F)cc1 101772219 CRYXSIJFPBUJHR-RDNNIZOPSA-N 346.452 4.820 30 40 EJEB C=CCOC(=O)c1ccc2[nH]c(-c3cccc4ccccc34)nc2c1 226236672 SMMYSQDVQLAFJK-UHFFFAOYSA-N 328.371 4.726 30 40 EJEB C=CCn1cc(/C=N/Nc2nc3ccccc3n2CC)c2ccccc21 408692328 JXPMPCFCGJAWLR-HYARGMPZSA-N 343.434 4.643 30 40 EJEB Cc1ccc(-c2nnc(N/N=C/c3ccco3)c3ccccc23)cc1C 5446943 UQKZMAZAIATUTJ-LPYMAVHISA-N 342.402 4.953 30 40 EJEB CC(C)c1ccccc1/N=C/c1cc(Br)c(N(C)C)o1 59104473 HQAUBRCAPMHANB-VCHYOVAHSA-N 335.245 4.982 30 40 EJEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 100138557 BUNODBOTYCUAMH-HAHDFKILSA-N 344.414 4.763 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ncc(Cl)cc1Cl)C2 351927 NBHNPIBOELDRAF-QLJPJBMISA-N 325.239 4.709 30 40 EJEB Oc1ccccc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 5576873 HRCDBMLSWMBODO-LSHDLFTRSA-N 346.415 4.510 30 40 EJEB C/C(=N\N=C(\S)NC1CCCCC1)c1cccc(C(F)(F)F)c1 13878996 VLOLQFWLZQREGH-SRZZPIQSSA-N 343.418 4.638 30 40 EJEB N#Cc1c(CSc2ncc(-c3ccccc3)o2)cn2ccccc12 65849063 ULNCZMFUUZLZJA-UHFFFAOYSA-N 331.400 4.758 30 40 EJEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 225940888 IJADDQAXZDSBSG-UHFFFAOYSA-N 327.811 4.575 30 40 EJEB CCc1ccc([C@H](NC(=O)c2ccc(C#N)cc2)c2cccs2)cc1 8062287 QKNBMOVDRVQONP-FQEVSTJZSA-N 346.455 4.702 30 40 EJEB Cc1cc(-n2c(C)cc(/C=C/C(=O)c3ccc(F)c(F)c3)c2C)no1 8079145 FLUQTNYXHYKHBM-FNORWQNLSA-N 342.345 4.565 30 40 EJEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccs2)S1 8277681 ZKSMOPGRBAHUBT-MDWZMJQESA-N 334.853 4.602 30 40 EJEB Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4ccccc4s3)c12 69701922 PYHPPFIPMBCUOU-AWEZNQCLSA-N 345.427 4.505 30 40 EJEB CN(Cc1csc2ccccc12)C(=O)Nc1ccc(F)cc1C#N 97472874 SVPXFWSIUXLKQP-UHFFFAOYSA-N 339.395 4.576 30 40 EJEB N#CC1(CCCSc2ncc(-c3ccc(F)cc3)o2)CCOCC1 252508874 XWMBBZAVDNCFEY-UHFFFAOYSA-N 346.427 4.673 30 40 EJEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 186235 UMCSZBBVDPMJBP-NRFANRHFSA-N 348.446 4.923 30 40 EJEB CSc1nc(C2CC2)cc(-c2ccc(Br)cc2)c1C#N 756921 AVDIOIANENKRDG-UHFFFAOYSA-N 345.265 4.982 30 40 EJEB O=C(C[n+]1cccc2cc(Cl)ccc21)c1ccc2c(c1)CCCC2 1668733 QMBIEOBXMVKBFX-UHFFFAOYSA-N 336.842 4.542 30 40 EJEB C=C(C)CSc1nc2scc(-c3cccs3)c2c(=O)n1CC 5583339 GHAOLJZCJHUDRO-UHFFFAOYSA-N 348.518 4.875 30 40 EJEB O=C(O)c1ccc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 6846073 SXIMECQSULFVOA-HMMYKYKNSA-N 328.367 4.808 30 40 EJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c1 8410900 FQFPBYAKSMCDPB-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB CCOc1ccc(N/C(S)=N\[C@H](C)CCc2ccccc2)cc1 13686012 LJWZJNNMHKKEJS-OAHLLOKOSA-N 328.481 4.804 30 40 EJEB CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083807946 GPRJFPIRAPWXED-UHFFFAOYSA-N 342.148 4.517 30 40 EJEB Cc1ccc2cc(C)c(N/N=C/c3c(Cl)nc4ccccn34)nc2c1 5571156 FUZKAQBBYONEAX-SRZZPIQSSA-N 349.825 4.599 30 40 EJEB CC1(C)Cc2c(sc(NCc3c[nH]c4ccccc34)c2C#N)CO1 12407163 XELPKBFCFPCRNF-UHFFFAOYSA-N 337.448 4.564 30 40 EJEB C=C(Cl)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 14674818 SMYPXTVATRREPP-UHFFFAOYSA-N 344.823 4.510 30 40 EJEB CC/N=C1\S/C(=C\c2cc(C)n(C3CCCC3)c2C)C(=O)N1CC 101635838 WPKPEWYIXYZASY-QTBWCZOLSA-N 345.512 4.532 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1 225537990 NAELEZJHPBTWEM-INIZCTEOSA-N 340.492 4.916 30 40 EJEB CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1C 225714753 KYQOUYVHCCAVBK-LJQANCHMSA-N 337.492 4.807 30 40 EJEB Cc1oc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)c(C#N)c1C 408565828 AXBWXDQLNGVCPZ-WSDLNYQXSA-N 332.407 4.622 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 408576038 QQFBINGNUDUUBU-HNNXBMFYSA-N 327.449 4.679 30 40 EJEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(N(C)C)cc1 408743197 ZPJWBVOBHLWQRH-HYARGMPZSA-N 333.435 4.616 30 40 EJEB COc1ccc2cc(-c3nn(-c4ccccc4)cc3/C=N/O)ccc2c1 3308136 XLCQTSKPTLNWKX-LPYMAVHISA-N 343.386 4.509 30 40 EJEB Cc1cc(Cl)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 5960010 SUCFRPGJGISUMV-KEBDBYFISA-N 330.815 4.699 30 40 EJEB CC(=C/c1ccccc1)/C=C/C(=O)c1sc(C(=N)S)nc1C 6483785 RIQRSGPVNJSTAO-OCBXPSTGSA-N 328.462 4.549 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 7939548 IZCVDKMWUAKWTR-PKNBQFBNSA-N 348.354 4.550 30 40 EJEB Cc1cc(C)c(C#N)c(SCc2nc(-c3ccccc3)oc2C)n1 12255330 KOKNXZKGUMPKCJ-UHFFFAOYSA-N 335.432 4.826 30 40 EJEB Cc1cc(C)cc([C@H](C)/N=C/c2cc(Br)ccc2O)c1 17141952 SZIMQWAWDOGJCK-UZPSYVQNSA-N 332.241 4.952 30 40 EJEB C/C(=N\OC(=O)c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 36644275 JBPHTJHJDHKCQZ-HZHRSRAPSA-N 327.383 4.839 30 40 EJEB Oc1c(Cl)cc(Cl)cc1/C=N/c1nc2c(s1)CCCC2 100460303 JMJQKTMGJVWIEV-REZTVBANSA-N 327.236 4.785 30 40 EJEB O=C(/C=C/c1ccc2ncccc2c1)c1ccc(Br)cc1 4058791 WFRHYYNEEILVAT-ONNFQVAWSA-N 338.204 4.893 30 40 EJEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)C12CCCCCC2 5055018 FYRXOFMOCYBNBC-AZRLCKCBSA-N 336.479 4.776 30 40 EJEB C=CCN1C(=O)/C(=N\c2ccc(Cl)c(Cl)c2)c2ccccc21 5382766 YHFSSVLGIARFQM-SILNSSARSA-N 331.202 4.647 30 40 EJEB Clc1ccc(CN/C(=N/c2ccccc2)NC2CC2)c(Cl)c1 5680864 TWKYLEUAMQBTPU-UHFFFAOYSA-N 334.250 4.523 30 40 EJEB CC[C@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 5908035 TZDQXHADLDEABP-MKFNJMOCSA-N 328.368 4.573 30 40 EJEB O=C(NCc1cccc(Cl)c1)c1ccc(C#Cc2ccccc2)cc1 12700830 HDWPPIYNCYNDKC-UHFFFAOYSA-N 345.829 4.670 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923414 SFECWQWNBHMGCT-XNSMSNCXSA-N 344.495 4.696 30 40 EJEB Cc1ccc(C#CC[N+]2(CC#Cc3ccc(C)cc3)CCCCC2)cc1 1826284 NRCADYLQJIGKKV-UHFFFAOYSA-N 342.506 4.707 30 40 EJEB CCOc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1 3265325 CRZWOSPWPPSJNN-XQNSMLJCSA-N 344.414 4.662 30 40 EJEB CS/C(=N\c1ccc(Br)cc1)NCc1ccc(C)cc1 4108573 UDURPJBKVCIWIE-UHFFFAOYSA-N 349.297 4.898 30 40 EJEB CCSC1=N/C(=C\C=C2/N(C)c3ccccc3C2(C)C)C(=O)S1 4579123 UQQJMUWHPMMXCE-BDXDCFHCSA-N 344.505 4.564 30 40 EJEB CCc1ccc(/C(C)=N/Nc2cc(OC)nc(-c3ccccc3)n2)cc1 5318328 DWNHNTPMJWVJRY-BUVRLJJBSA-N 346.434 4.551 30 40 EJEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1 5551599 AHMGBIHOWVVJKE-WJDWOHSUSA-N 342.851 4.794 30 40 EJEB CC(C)c1ccc(/C=N/N=c2\[nH]c(-c3cccc(O)c3)cs2)cc1 8236165 PARZWFPQAGLMPU-RGVLZGJSSA-N 337.448 4.507 30 40 EJEB N#CCc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 13687060 AAPJLSXDTOUFCZ-UHFFFAOYSA-N 342.398 4.584 30 40 EJEB N#C[C@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 41502648 MEJYTQLRVWTAQJ-MRXNPFEDSA-N 343.411 4.577 30 40 EJEB O=C1/C(=C2/Nc3ccc4ccccc4c3C2=O)Sc2ccccc21 100573292 FVFUZHQCLPLHOF-JZJYNLBNSA-N 329.380 4.648 30 40 EJEB CCCCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 100846708 BTOPKTORHFWJAI-SSZFMOIBSA-N 333.453 4.750 30 40 EJEB Cc1c(/C=N\c2cccc(Br)c2)c2ccccc2n1C 408853005 OZBKQLDJDHUDJW-ODLFYWEKSA-N 327.225 5.000 30 40 EJEB CC(C)Oc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1Cl 31663713 WKNLMNIUUVJGAJ-UHFFFAOYSA-N 329.787 4.643 30 40 EJEB O=C(O/N=C/C1=C(Cl)c2ccccc2CC1)c1ccc(F)cc1 4091916 IXXTZXFVDRBURD-SRZZPIQSSA-N 329.758 4.565 30 40 EJEB CCCOc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1OCCC 58482230 WQPVKHCSNZLOFI-HNNXBMFYSA-N 339.439 4.704 30 40 EJEB Cc1c(Cc2ccc(Cl)cc2)c(O)n2c(nc3ccccc32)c1C#N 202988 DQMIPPMSHQPKHF-UHFFFAOYSA-N 347.805 4.617 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c1 503349 OGJJJSOVHLFSFT-FYJGNVAPSA-N 342.358 4.660 30 40 EJEB C=CCn1c(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 520280 VCPMKLQPBNJTNG-UHFFFAOYSA-N 348.233 4.847 30 40 EJEB O=C1C(=Cc2ccccc2OCc2ccccc2)C(=O)c2ccccc21 6339086 FYBSXHJPIKIWKF-UHFFFAOYSA-N 340.378 4.728 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OCC 6959295 NSDCREUZXSTZGI-FYJGNVAPSA-N 327.811 4.810 30 40 EJEB O=C(/C=C/c1csnn1)c1ccc(-c2ccccc2Cl)s1 40139861 CMDWQSCXVXEMQZ-AATRIKPKSA-N 332.837 4.816 30 40 EJEB CCCCCCCCc1ccc(CC[C@@]2(CO)COC(C)=N2)cc1 72399731 XJDZZSDQLOHNAO-OAQYLSRUSA-N 331.500 4.702 30 40 EJEB in-vitro CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccc(C)c1 97104983 FBTRBADUTASPPS-RBBKRZOGSA-N 348.442 4.623 30 40 EJEB N#Cc1c(Cl)ncc(Cl)c1-c1ccccc1Br 256049867 BUJODFJTXMIHMV-UHFFFAOYSA-N 327.996 4.690 30 40 EJEB CC1(C)CC(=O)C([C@@H](c2ccccn2)c2c[nH]c3ccccc23)=C(O)C1 72008 AUPZEDIZUFRANO-HXUWFJFHSA-N 346.430 4.896 30 40 EJEB N#Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 6638119 HLIIKBQSXFTBGU-UHFFFAOYSA-N 326.399 4.719 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 9096158 SYJXZNVXSNEKGB-OAHLLOKOSA-N 327.449 4.679 30 40 EJEB CCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O 28539103 RKQUHHNIJVGMIG-LJQANCHMSA-N 347.499 4.719 30 40 EJEB CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1 34953993 UTRVYAUCENKWSI-UHFFFAOYSA-N 329.403 4.577 30 40 EJEB CCCCCCCC[C@@]1(C)N=C(c2ccccc2)C(OC)(OC)N1[O] 104476043 LUAQTTAOWRCYLB-IBGZPJMESA-N 347.479 4.550 30 40 EJEB N=C1N=C(c2ccccc2)/C(=N/Nc2ccc(C(F)(F)F)cc2)S1 111910089 SHQMKUCKRVJKFS-XFTXGNHBSA-N 348.353 4.602 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3C 118923408 SFECWQWNBHMGCT-JTIIFYKTSA-N 344.495 4.696 30 40 EJEB CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 138676683 NHKXKQYPQQJCDF-CJLVFECKSA-N 336.435 4.604 30 40 EJEB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 3364090 TWVHQKNTMGZYLK-UHFFFAOYSA-N 342.826 4.661 30 40 EJEB CCOP(=O)(OCC)O/N=C(/C)c1ccc(C(F)(F)F)cc1 5575809 DINNNACUYLGCHT-YVLHZVERSA-N 339.250 4.627 30 40 EJEB N#Cc1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 9141787 WFZCVRNJDIVYKW-UHFFFAOYSA-N 334.419 4.623 30 40 EJEB Cc1sc(NC(=O)CCCSc2ccccc2)c(C#N)c1C 10217859 LKFWTSVGFDADFP-UHFFFAOYSA-N 330.478 4.748 30 40 EJEB O=C1/C(=C/c2ccc(Cl)cc2)CNC/C1=C\c1ccc(Cl)cc1 27650580 LBNHBGZGFHYLAA-KAVGSWPWSA-N 344.241 4.633 30 40 EJEB O/C(CN1CCCCCC1)=N\c1nc(-c2ccc(Cl)cc2)cs1 50099988 KNFOCHKGZLFBNX-UHFFFAOYSA-N 349.887 4.928 30 40 EJEB N#Cc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)c(F)c1 57604262 IJFMHFCIEVICPI-KRWDZBQOSA-N 337.423 4.644 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 169551896 MPJGDUIIMRWRTM-WEVVVXLNSA-N 331.209 4.662 30 40 EJEB Brc1ccc(-n2cccc2/C=N/Nc2ccccc2)cc1 4712072 PWUDKAKEIGAPKZ-CPNJWEJPSA-N 340.224 4.686 30 40 EJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 5129505 WWEFMVOSJCZRKJ-SOFGYWHQSA-N 327.723 4.891 30 40 EJEB C/C(=N/OC(=O)c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 44790626 JBPHTJHJDHKCQZ-HAHDFKILSA-N 327.383 4.839 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC 409202974 UPASXTFCPAHDHR-CIAFOILYSA-N 327.811 4.728 30 40 EJEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Cl)c1 570367 LOYNWHFKIKIWEG-LLVKDONJSA-N 344.867 4.959 30 40 EJEB CCc1ccccc1OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 3299197 JUVWASPACKOWNF-KGENOOAVSA-N 335.447 4.508 30 40 EJEB C=C(C)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 3420854 ZHFCYTDXMMBEKC-HNNXBMFYSA-N 336.460 4.674 30 40 EJEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 4132704 FRTXYXRGIDLZLN-DJKKODMXSA-N 348.786 4.708 30 40 EJEB CC(C)(C)c1ccc(SCC(=O)N(CC#N)c2ccccc2)cc1 22532382 GXPNFGKTEXWPQE-UHFFFAOYSA-N 338.476 4.633 30 40 EJEB C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCCCC3 32604649 MYAQWWQTJVDIHN-UHFFFAOYSA-N 348.537 4.805 30 40 EJEB COc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 408913126 SRLSEUGCQDOVMR-LPYMAVHISA-N 348.402 4.552 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OC 409122217 ZCGNGZVOFYWCDM-UHFFFAOYSA-N 329.827 4.590 30 40 EJEB C=CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1836246 FXQNXBOTKADZEJ-UHFFFAOYSA-N 338.480 4.840 30 40 EJEB C=CCCCCCCC#CCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O 31167184 CADCSTMAPXTITJ-SLFFLAALSA-N 334.500 4.779 30 40 EJEB biogenic,in-vitro CC/C(C)=N\Nc1nc2cc(NC(=O)c3cccs3)ccc2s1 72229673 DPELQEWVWAJLBM-GRSHGNNSSA-N 344.465 4.808 30 40 EJEB CCCC(NC(C)(C)C)=C1C(=O)CC(C[C@@H](C)SCC)CC1=O 104424028 BACGTIXCOQFXED-KWCCSABGSA-N 339.545 4.509 30 40 EJEB CCCCCCCC[Sn](CC)(CC)OC(C)=O 195999316 YIYIWYKCKBINTD-UHFFFAOYSA-M 349.103 4.895 30 40 EJEB CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCCC2 502305 XOBLCBJTIRVUGO-RGVLZGJSSA-N 343.448 4.568 30 40 EJEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(Cl)c1Cl 4578421 VTWYHRKKVGPOEJ-UKTHLTGXSA-N 349.242 4.885 30 40 EJEB CSC(SC)=C1CCC/C(=C\c2ccc(N(C)C)cc2)C1=O 51329702 ZKWFOGPPUFJAKN-WYMLVPIESA-N 333.522 4.827 30 40 EJEB COc1ccc(/N=C(\CC(C)C)C2C(=O)c3ccccc3C2=O)cc1 104223539 NNVVXMMPJMQVPQ-RELWKKBWSA-N 335.403 4.509 30 40 EJEB CC(C)(C#N)Nc1ccc(Oc2ccc(NC(C)(C)C#N)cc2)cc1 255187932 HSIOJBYNFSVOTP-UHFFFAOYSA-N 334.423 4.907 30 40 EJEB CCCC(=NOCC)C1=C(O)C[C@@H](C[C@@H](C)SCC)CC1=O 257351218 CSPPKDPQLUUTND-CHWSQXEVSA-N 327.490 4.502 30 40 EJEB CCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1 408914552 YKFYXGNCDMZQBN-MOSHPQCFSA-N 335.363 4.593 30 40 EJEB CC1C2=C(CCCC2=O)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 1640473 KOOUCQCKDMTRLQ-UHFFFAOYSA-N 341.838 4.810 30 40 EJEB CN(C(=O)/C(=C\C(=O)c1ccccc1)c1ccccc1)c1ccccc1 4805508 LXNLCUMJRIJWKA-FXBPSFAMSA-N 341.410 4.616 30 40 EJEB O=C(O)c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 5574003 ARFHNEJAPQHBIC-RGVLZGJSSA-N 340.766 4.744 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccccc1 6269521 LKHLDRLAKKZEPD-LDADJPATSA-N 330.412 4.731 30 40 EJEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)cc1C#N 225827556 NUCFSGWZEFESLF-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB FC(F)(F)c1ccccc1C=Nn1c(-c2ccccc2)n[nH]c1=S 254506399 ZXCRDFBUXNDEIX-UHFFFAOYSA-N 348.353 4.509 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 408576355 SQHBHDJIUSSXEF-OAHLLOKOSA-N 327.449 4.512 30 40 EJEB COc1ccc(Cl)cc1-c1c(-c2ccccc2)c(C)[nH]c(=N)c1C#N 408977684 FEWPUVLIKXJROA-UHFFFAOYSA-N 349.821 4.670 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(C)cc1C 409122141 ZSERZSPQBCHBND-HMAPJEAMSA-N 338.451 4.671 30 40 EJEB N#Cc1c(-c2ccccc2)cc(N2CCCC2)n2c1nc1ccccc12 83760 CDWXYYHRRYPEAI-UHFFFAOYSA-N 338.414 4.626 30 40 EJEB COc1ccc(/C=N/CC23CCC4C[C@@H](C[C@@H](C4)C2)C3)c(OC)c1 236386 LKOZLBTWDRHVLC-ZDGMFXGCSA-N 327.468 4.729 30 40 EJEB CCOc1ccc(OC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)cc1 338831 NVFVJBXVWNDTOM-UHFFFAOYSA-N 343.382 4.843 30 40 EJEB COc1cccc(/C=C/C(=O)c2c(Cl)n(C)c3ccccc23)c1 96026277 DGMIHMFFVHAURI-ZHACJKMWSA-N 325.795 4.736 30 40 EJEB C[C@]12CN(C(=O)c3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@@H]1CC[C@@]23C 101023520 DLKZOUFFUFJOFP-VMCJVTOISA-N 349.261 4.538 30 40 EJEB CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1C#N 609149949 ZQRGGOKPAFQVKX-OXJNMPFZSA-N 340.854 4.816 30 40 EJEB COc1cc(OC)c(/C=N/c2ccc(C)cc2C)cc1Br 68351 YHTLZBIPUYAGPY-VXLYETTFSA-N 348.240 4.834 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1ccccc1 5376282 LKHLDRLAKKZEPD-PDGQHHTCSA-N 330.412 4.731 30 40 EJEB CC(=O)c1c(C)cc(C)c(CNc2ccc(C#N)c(Cl)c2)c1C 12769377 BUENHOHVDYOUCV-UHFFFAOYSA-N 326.827 4.952 30 40 EJEB C[C@H]1C[C@@H](C)CN(/C(S)=N/c2ccc(SC(F)F)cc2)C1 13865608 VFQMVPUYWSZTNA-PHIMTYICSA-N 330.469 4.897 30 40 EJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 20672511 ACFSWZUUORQKGY-SFHVURJKSA-N 337.810 4.568 30 40 EJEB N#Cc1c(NCc2ccccc2)nc(-c2ccco2)c2c1CCCC2 20827674 WMBJRKRCRMHYIN-UHFFFAOYSA-N 329.403 4.704 30 40 EJEB C(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1nc2ccccc2[nH]1 32925257 DQKPTKKTVWRYSI-LPYMAVHISA-N 337.386 4.857 30 40 EJEB CCOc1cc(C)c(/C=N/OCc2ccccc2C#N)cc1C(C)C 408595735 MWJWXZMTFOIYGX-YDZHTSKRSA-N 336.435 4.940 30 40 EJEB O=C(O)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1Cl 408856164 ISQQXUFLQFZYSE-BKUYFWCQSA-N 342.826 4.779 30 40 EJEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1 409160288 TUOQMSVPMZCORE-FCEWJHQRSA-N 338.357 4.694 30 40 EJEB Cc1cccc(OCc2nc(C#N)c(N[C@H](C)c3ccccc3)o2)c1 108151 RIHMMLGULVTPSK-OAHLLOKOSA-N 333.391 4.607 30 40 EJEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1C 503857 RTLAAXXZVSEANO-FYJGNVAPSA-N 334.375 4.716 30 40 EJEB C=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)cs1 4548690 QTIVGPDNWPFKSI-UHFFFAOYSA-N 334.444 4.951 30 40 EJEB CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1O 7718230 CKNGWPYNGUYZQH-BQYQJAHWSA-N 337.202 4.994 30 40 EJEB CCCN1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1 24926145 MFSJJUJQTKBXJE-YCRUPXPOSA-N 329.490 4.571 30 40 EJEB CCCC[C@H](C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 102975555 HPKJXIBDZUYNRE-ZDUSSCGKSA-N 348.483 4.568 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1 225470056 YJUWJWOTWOILST-HNNXBMFYSA-N 326.465 4.607 30 40 EJEB CCc1ccccc1N/C=C/C(=O)c1cccc(Br)c1 409062215 QBEWNERNMKMYLM-ZHACJKMWSA-N 330.225 4.820 30 40 EJEB Fc1ccc(N/N=C/C(Br)=C/c2ccccc2)c(F)c1 3220074 MMFXVXGXBKFTOP-BSHSOUCVSA-N 337.167 4.799 30 40 EJEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 5176423 VKAZUUYDQXVMMI-MTJSOVHGSA-N 343.382 4.585 30 40 EJEB CCc1ccc(/N=C/c2cc(Br)c(OC)c(OC)c2)cc1 8084204 ZCFJDPVUUMYKEJ-YBFXNURJSA-N 348.240 4.779 30 40 EJEB CC(C)Oc1ccccc1/C=N/OCc1ncc(-c2ccccc2)o1 8394279 GJMDAXYGGDEPPB-WSDLNYQXSA-N 336.391 4.680 30 40 EJEB COc1ccccc1/C=C/c1nc(C#N)c(N[C@H](C)c2ccccc2)o1 8535360 QIABOEBQGDPUSK-RDRICISKSA-N 345.402 4.898 30 40 EJEB C=CCSc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 224928378 GNEPBXWXKSZZRM-UHFFFAOYSA-N 338.476 4.817 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409215926 CFAFPPYAPSDBHD-CIAFOILYSA-N 327.811 4.728 30 40 EJEB Cc1ccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c(C)c1 409216175 IJGJNZYRLZOIBQ-UCQKPKSFSA-N 345.446 4.856 30 40 EJEB CC(/C=N\n1c(S)nnc1C1CCCCC1)=C\c1ccccc1 15979118 DYJLDAJLALHJNM-VAWAYFNOSA-N 326.469 4.552 30 40 EJEB C=CCSc1ccccc1NC(=O)N(Cc1ccco1)C1CC1 40104101 AKNMJQIBYCQEBY-UHFFFAOYSA-N 328.437 4.754 30 40 EJEB Cc1ccc2c(c1)/C(=N/OC(=O)c1cccc(Cl)c1)CCS2 1396258 SSYUXXMZFDSZSY-XDJHFCHBSA-N 331.824 4.705 30 40 EJEB C=CCOc1ccccc1[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]21 4959432 WCIRIGFPEWGCHY-QYWGDWMGSA-N 347.414 4.776 30 40 EJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 103008477 RCVOWALFRMVVRI-UHFFFAOYSA-N 346.515 4.835 30 40 EJEB CC(C)Oc1ccccc1/C=N/Nc1ccc(Br)cc1 408603474 RAYSOWYGWTZHIV-WOJGMQOQSA-N 333.229 4.682 30 40 EJEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(C)=O)cc1 409230280 BSWPWPYHIYIYJK-PXLXIMEGSA-N 336.435 4.639 30 40 EJEB CCc1ccc(-c2csc(N/N=C/c3cccc(OC)c3)n2)cc1 4957145 LQSBZXNFZVDGDM-UDWIEESQSA-N 337.448 4.827 30 40 EJEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 13546412 IGUIOSAHSWBTMI-BKUYFWCQSA-N 348.406 4.757 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(OC)ccc2C)cc1 44843003 ACGNKRUIBRTWDH-OUKQBFOZSA-N 339.435 4.991 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 100261709 CISBUHCITCYFGI-PXAZEXFGSA-N 339.357 4.906 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1 225754636 MZFFSHPAXMOYNJ-HNNXBMFYSA-N 326.465 4.607 30 40 EJEB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C[C@@H](C)[C@]12C 263600062 JPIUWRVPCMVEFM-FLQCVYBASA-N 326.480 4.890 30 40 EJEB Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccccc1 408592646 NFBZENZARBJKSB-UCQKPKSFSA-N 329.403 4.517 30 40 EJEB C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OCC 408623779 RZBKTHHJKAMNGQ-ZHACJKMWSA-N 340.806 4.647 30 40 EJEB CCc1ccc(C(=O)/C=C/Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 409055837 QGGMSWWGNTYUEP-MDZDMXLPSA-N 330.771 4.619 30 40 EJEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1 409261249 BKCOTVRKBAKSKS-KGENOOAVSA-N 347.374 4.620 30 40 EJEB C/N=C1/S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1C 1097045 XFRVRZRGQCFBMA-UMWYYCSLSA-N 332.428 4.525 30 40 EJEB CCOC(=O)[C@@]1(CC)C(=O)C=C(c2ccccc2)C[C@@H]1c1ccccc1 1564069 PFAGDXKIOLDOED-NFBKMPQASA-N 348.442 4.786 30 40 EJEB CC(=O)c1cccc(/N=C(\O)c2cc(C3CC3)nc3ccccc23)c1 8076714 SQKOSZNLDLVOQV-UHFFFAOYSA-N 330.387 4.951 30 40 EJEB C=CCc1cc(/C=N/c2ccccc2SC)cc(OCC)c1O 59678318 DLHCDNFNUNIOHS-DEDYPNTBSA-N 327.449 4.992 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/N=c1/[nH]c(-c3ccccc3)cs1)C2 102446361 LPZRONVVQPPYEV-CSAYDWTISA-N 325.481 4.846 30 40 EJEB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225825425 GQPWFUGWYUWOKH-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N 225846679 JHWGBLYFPJABES-HXUWFJFHSA-N 346.471 4.659 30 40 EJEB CC[C@@H](C)Oc1ccccc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 408601161 IVHYPZPPLPEWDO-ZICWZVMQSA-N 346.814 4.662 30 40 EJEB C=CCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21 554910 ZJWKXMRGLHHICI-UHFFFAOYSA-N 329.403 4.693 30 40 EJEB CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 3637018 VUFHYGBQKBESHC-UHFFFAOYSA-N 338.354 4.760 30 40 EJEB c1ccc(/N=C2\O[C@H](COc3ccccc3)CN2c2ccccc2)cc1 13511531 OYWOXRIHKJOTHN-MUBPVYAGSA-N 344.414 4.659 30 40 EJEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)cc(Cl)c1O 409032268 BZDAVQVUVGHWOR-GIJQJNRQSA-N 347.827 4.500 30 40 EJEB CC1=C(C(=O)c2ccccc2)C(C)C(C(=O)c2ccccc2)=C(C)N1 348024 SEZLWUYMTWKBKC-UHFFFAOYSA-N 331.415 4.540 30 40 EJEB N#Cc1cnc(Nc2nc3ccccc3o2)nc1-c1ccc(Cl)cc1 544602 HKFUXLXTINMQIK-UHFFFAOYSA-N 347.765 4.553 30 40 EJEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccccc1 33389029 MEBSBNKWSNUCMP-JCMHNJIXSA-N 328.419 4.627 30 40 EJEB N#Cc1ccc(N/N=C2/CCCc3nc(-c4ccccc4)sc32)cc1 60808540 XEIBQBGIVBJGOK-MOHJPFBDSA-N 344.443 4.834 30 40 EJEB COc1cc(/C=N/c2nc3c(s2)-c2ccccc2CC3)ccc1C 408723254 SCWNZUKCWSHUQA-CIAFOILYSA-N 334.444 4.976 30 40 EJEB Cc1cccc(N/N=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c1 408725544 KBOQGKYWVGKDLE-GFMRDNFCSA-N 342.398 4.822 30 40 EJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(Cl)c1 5944184 IVGPYPMAQZDLTA-UFWORHAWSA-N 343.692 4.713 30 40 EJEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(C(C)(C)C)cc1 7606215 WWZXFLHHSODGLG-AUUYWEPGSA-N 332.513 4.519 30 40 EJEB O=C(/C(=C/c1ccccn1)c1nc2ccccc2o1)c1ccccc1 9423371 VEVQMSKOMMBKBI-VKAVYKQESA-N 326.355 4.646 30 40 EJEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 13125961 FSIGWXQHNOGDFP-FTIPTLOASA-N 347.443 4.792 30 40 EJEB O=C1c2ccccc2-c2c(/N=C/c3ccc([N+](=O)[O-])cc3)cccc21 18067310 XCHUJOJHGPVIIA-CIAFOILYSA-N 328.327 4.557 30 40 EJEB O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1O 36008856 DDRQPEBYBNHDBR-RGVLZGJSSA-N 332.315 4.950 30 40 EJEB Cc1sc2nc(-c3cccs3)nc(N[C@@H](C)CC#N)c2c1C 58330705 BKIXVIVELWKSBY-VIFPVBQESA-N 328.466 4.751 30 40 EJEB N#Cc1ccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc1 96861791 FOHHXYQYJBVBJS-VBKFSLOCSA-N 348.427 4.963 30 40 EJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1 59519 XAFSJFHQTAEWQB-DEDYPNTBSA-N 333.347 4.795 30 40 EJEB COc1cccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1 4921847 FHLPFIWCANNARA-AWQFTUOYSA-N 328.721 4.813 30 40 EJEB Clc1ccc(-c2csc(N/N=C/c3cccnc3)n2)c(Cl)c1 5054750 STHOOYABVADJOH-UFWORHAWSA-N 349.246 4.958 30 40 EJEB COc1cccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)c1O 5288073 QSCPTBWUQDAZGL-DNTJNYDQSA-N 329.705 4.824 30 40 EJEB N#Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 5937897 GOQKAJUKWVXKIO-UHFFFAOYSA-N 346.817 4.982 30 40 EJEB Clc1ccc(/C=N\c2ccc(I)cc2)cc1 100203582 QQRLQNNABICPKV-SXGWCWSVSA-N 341.579 4.695 30 40 EJEB C=CCc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 408705926 QLMJBMWULRDJGY-UHFFFAOYSA-N 335.325 4.695 30 40 EJEB Fc1cnc(Cl)nc1Oc1cccc(/C=N/Nc2ccccc2)c1 409066864 XBOWWCQVSSFDSX-UFFVCSGVSA-N 342.761 4.507 30 40 EJEB CCn1c(/N=C/c2cc(Cl)cc(Cl)c2O)nc2ccccc21 507264 OZWBWTXAHBXHDU-DJKKODMXSA-N 334.206 4.819 30 40 EJEB C/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 4864352 DMDBKCUGJIIFAK-YDZHTSKRSA-N 344.340 4.727 30 40 EJEB CC(C)(C)c1ccc(-c2nnc(SCC#N)n2-c2ccccc2)cc1 4959814 FSXZIJKRGOPSFB-UHFFFAOYSA-N 348.475 4.847 30 40 EJEB N#Cc1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 6880870 LKHBFJKLQOWTDO-UHFFFAOYSA-N 346.361 4.529 30 40 EJEB Cc1c(/C=N/c2ccc(Cl)c(C(=O)O)c2)c2ccccc2n1C 59678642 XLOMPLMTRYLRBB-KEBDBYFISA-N 326.783 4.589 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cc1OC 4065086 IFPFGCQMNFFWET-WUXMJOGZSA-N 344.410 4.852 30 40 EJEB CC(=O)/C=C/c1ccc(Oc2ccc(Br)cc2F)cc1 4241777 DGHHKZLDFQEHCR-NSCUHMNNSA-N 335.172 4.983 30 40 EJEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(F)cc1F)O[C@H](C)C2 7712642 NKSNLEWKUNRKEY-RPTYSRGTSA-N 344.357 4.583 30 40 EJEB CCOc1ccc2c(c1)C(=O)/C(=C\NCc1ccc(Cl)cc1)S2 100233009 OOENDEXJIZTUIO-GZTJUZNOSA-N 345.851 4.658 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Cl)cc1 409097129 FVRCNXGYBKFBMQ-BKUYFWCQSA-N 344.842 4.708 30 40 EJEB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1C 606422385 VCWQLTKDJVSIDU-HYARGMPZSA-N 349.434 4.835 30 40 EJEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 5215660 CGHCPKCVPIJAFE-NDENLUEZSA-N 332.355 4.783 30 40 EJEB C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1c(C)cc(C)[nH]c1=O 5285836 LKDRGTKFUYKOKS-JXMROGBWSA-N 336.218 4.585 30 40 EJEB Cc1ccc(Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 6261312 WYEYBCULHHOMIM-UHFFFAOYSA-N 328.371 4.911 30 40 EJEB CCOc1cc(Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 6439482 YRPAMVZGMDAIOO-SRZZPIQSSA-N 333.859 4.832 30 40 EJEB C/C(=N\n1c(=S)[nH][nH]c1=S)c1ccc(-c2ccccc2)cc1 6904351 DQARYEYVPQOWBG-YBFXNURJSA-N 326.450 4.543 30 40 EJEB C=C1CCC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCCC2 17002169 MAFDAQMXTRVVSO-KNTRCKAVSA-N 344.371 4.571 30 40 EJEB Cc1ccc(CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)cc1 39404209 XYUZEDPHNZLJGN-DHZHZOJOSA-N 333.366 4.776 30 40 EJEB CC(C)(C)C1CCC(CC2=C(O)c3ccccc3C(=O)C2=O)CC1 100871160 NEGDTWQGGLJCTL-UHFFFAOYSA-N 326.436 4.964 30 40 EJEB O=C(Nc1ccccc1)C(/N=N\c1ccccc1)=N/Nc1ccccc1 104038078 ZMMDZQUCKKVTPX-NZZCULCFSA-N 343.390 4.835 30 40 EJEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)c(C#N)c1N 59945 SBMLICRGHZARTK-UHFFFAOYSA-N 329.790 5.000 30 40 EJEB CC/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1 372907 VLLKAGFSNNHPGB-XUTLUUPISA-N 325.408 4.753 30 40 EJEB CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)C1=O 12504589 NMIRKZWCHKQRAV-VISDOYDDSA-N 325.839 4.591 30 40 EJEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(NC(C)=O)cc1 16711489 LSNXJTWBQSRGAO-XDOYNYLZSA-N 349.459 4.593 30 40 EJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3F)sc1CC2 408721843 AHZMPAKFFFLKNK-SRZZPIQSSA-N 338.407 4.807 30 40 EJEB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC#N 3330046 TVECFRRILMKEDH-UHFFFAOYSA-N 336.778 4.544 30 40 EJEB O=C(/C=C/c1cc2ccccc2o1)c1cc(Br)ccc1O 4862991 PDAXBDUDVCNQTP-SOFGYWHQSA-N 343.176 4.797 30 40 EJEB O=C(/C=C/c1ccccc1)c1ccc(OCc2ccccc2)cc1O 4762779 KPEOHUHJHWKEQL-SDNWHVSQSA-N 330.383 4.867 30 40 EJEB CN(C)CC/C(=N\Nc1c(Cl)cccc1Cl)c1ccccc1 5888801 OMZOAFBKUNFOMF-CAPFRKAQSA-N 336.266 4.761 30 40 EJEB COc1ccc2cc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc2c1 6340408 KLNPGQMTCBIDBH-BJMVGYQFSA-N 333.343 4.653 30 40 EJEB CSc1nc(Nc2ccc(F)cc2)c(C#N)c(-c2ccccc2)n1 7995233 ITQMFYHCXSPMBM-UHFFFAOYSA-N 336.395 4.620 30 40 EJEB Cc1csc(N(C(=O)CCc2ccc(C#N)cc2)c2ccccc2)n1 24691998 FYRACBLTUBZXLV-UHFFFAOYSA-N 347.443 4.621 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OC)c(F)c2)cc1 44843332 QEHBBJZLFBPBME-VAWYXSNFSA-N 343.398 4.822 30 40 EJEB CCCCCCCCCCCCCCCCNC1=NOC[C@@H]1N 104358990 GWRFQNCKRGJRGO-SFHVURJKSA-N 325.541 4.728 30 40 EJEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2cccc(C)c2)c1C 408759859 MZDQWQCOQZIIKV-UCQKPKSFSA-N 346.430 4.940 30 40 EJEB CC(=O)c1cccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 271147 IBXDTVOQHORJJY-HZHRSRAPSA-N 343.382 4.859 30 40 EJEB Cc1cc(/C=N/c2ccccc2O)c(C)n1-c1ccc(N(C)C)cc1 1091609 TWOYPXMPXCZZAM-HYARGMPZSA-N 333.435 4.616 30 40 EJEB N#Cc1ccccc1CSc1nnc(-c2ccccc2Cl)o1 68933108 FPIWGWFIXPRLQE-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(Cl)c1O 408935213 MZSFWAAFLCQRJX-ZBKNUEDVSA-N 344.720 4.519 30 40 EJEB N#CC[C@@H](c1ccccc1)[C@H](C#N)c1ccc(Br)cc1 133217 QKWZIKYUZKFVBE-DLBZAZTESA-N 325.209 4.754 30 40 EJEB Cc1ccsc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O 4660259 KTNRHSKAIUCBKC-JYRVWZFOSA-N 334.853 4.602 30 40 EJEB CC(=O)/C(=N/c1ccc(Cl)cc1Cl)NNc1cccc(C)c1 5747820 WSFBNPDKDYPWBO-UHFFFAOYSA-N 336.222 4.538 30 40 EJEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 6401305 WAAKNLDSVHUZET-MRXNPFEDSA-N 342.398 4.631 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(C)c(Br)c2)cc1 7939565 ZTZQIKQZYCRKAM-BJMVGYQFSA-N 331.209 4.662 30 40 EJEB N#Cc1ccc(CSc2nc(-c3ccccc3)ccc2C#N)cc1 9970607 IRGPHAGYCHDQEX-UHFFFAOYSA-N 327.412 4.784 30 40 EJEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc3cccc4c3c2CC4)cc1 12808549 YHJPKUBSXDDIBH-VGOFMYFVSA-N 341.410 4.793 30 40 EJEB COc1ccc(C(=O)/C=C\C(C)=C/C=N\N(C)c2ccccc2)cc1 17064583 HLGJHYSFBLPOSI-USLOYXKVSA-N 334.419 4.503 30 40 EJEB C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]21 33734523 KDWOWEXNJPDUKG-RTOMLYRKSA-N 326.480 4.859 30 40 EJEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 49583648 XFJZGXGBGAXGIH-UHFFFAOYSA-N 340.279 4.941 30 40 EJEB Cc1c(/C=N/c2ccccc2Br)c2ccccc2n1C 59249095 DPRHIVHYOYIQTA-YBFXNURJSA-N 327.225 5.000 30 40 EJEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 225827249 RZPYADNZPQVOSK-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C[C@@H](C)[C@@]12C 263600065 JPIUWRVPCMVEFM-SXIZGEDCSA-N 326.480 4.890 30 40 EJEB O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(O)cc1O 4104789 AQCRXWQAFASVJA-JLHYYAGUSA-N 346.382 4.573 30 40 EJEB biogenic,in-vitro N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1 6124085 IKCHILKZOFYJPZ-UHFFFAOYSA-N 337.231 4.596 30 40 EJEB CCCOc1ccc(Cl)cc1/C=N/NCc1ccccc1Cl 8811761 BKWHGHSUNBPKPB-CIAFOILYSA-N 337.250 4.906 30 40 EJEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 9089988 VACBGWNEWYEGKL-LRTDBIEQSA-N 334.419 4.527 30 40 EJEB CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 40151625 MWQQXWSBLWEUSK-ZDUSSCGKSA-N 327.815 4.827 30 40 EJEB Cc1ccccc1N/N=C1/C=C(c2cccc3ccccc23)OC1=O 408724988 NIWZTCNSKWNCCF-NMWGTECJSA-N 328.371 4.514 30 40 EJEB CCC(=O)N1c2ccccc2S[C@H]1CC(=O)/C=C/c1ccccc1 2049251931 SOPORRLEXQEUNM-SJFMBGHLSA-N 337.444 4.534 30 40 EJEB CCC[C@@H]1CCc2c(sc(NC(=O)Cc3cccs3)c2C#N)C1 372281 KKOAGQWRWMJMHQ-GFCCVEGCSA-N 344.505 4.767 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-])C2 5013992 FVARSWRSCSCKGL-AUUYWEPGSA-N 328.412 4.533 30 40 EJEB C/C(=N\c1c(O)ccc2ccccc12)c1cc2ccccc2oc1=O 5371062 ZHRYYCICYNDBMY-LPYMAVHISA-N 329.355 4.793 30 40 EJEB CC(C)Cn1c(SCC#N)nnc1-c1ccc(Cl)cc1Cl 5535991 KSPOEDRJVSGHQT-UHFFFAOYSA-N 341.267 4.524 30 40 EJEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC#N)n2)cc1 6546607 DKFHBZWLNJDWBK-UHFFFAOYSA-N 333.338 4.563 30 40 EJEB N#Cc1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCC2 10372811 MOWHFQWDXVUKQL-UHFFFAOYSA-N 336.460 4.559 30 40 EJEB CC(C)OC(=S)Nc1ccc(Cl)c(/C=N/OC(C)(C)C)c1 16957942 RCXQHLSNKCYCLP-RQZCQDPDSA-N 328.865 4.611 30 40 EJEB CCCCc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 39557411 UFDAHTRSOORTOK-HBBMIWKISA-N 325.408 4.632 30 40 EJEB N#CCCSc1ccccc1NC(=O)CSc1ccc(F)cc1 95953560 XXGKCFGNOGKVSO-UHFFFAOYSA-N 346.452 4.562 30 40 EJEB O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F 575358846 GNZXTWKUURKBLS-UHFFFAOYSA-N 342.132 4.721 30 40 EJEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 222582 NLNTWIXHYKFWAG-LJQANCHMSA-N 349.821 4.712 30 40 EJEB N#Cc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl 3221482 KGSXBGTUPVFVBS-UHFFFAOYSA-N 330.771 4.818 30 40 EJEB COc1ccc(C(=O)/C=C/Nc2cccc(C(C)C)c2)cc1OC 44843558 NFGBQWAEJQMCLC-ZHACJKMWSA-N 325.408 4.636 30 40 EJEB Cc1cc(OCC(=O)n2cc(C#N)c3ccccc32)cc(C)c1Cl 226362196 ZHIZKAAWQSHHKP-UHFFFAOYSA-N 338.794 4.502 30 40 EJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cc(OC)cc(OC)c2)C1 408562877 GDDGFXSYWIRVAV-BUYIWHAFSA-N 331.456 4.805 30 40 EJEB Cc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)C(=O)c1ccccc1-2 204751 UXAAQMLJVUBYMX-UHFFFAOYSA-N 330.774 4.794 30 40 EJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2c(O)ccc3ccccc23)c1O 5518369 DXSALRWBPKZLTC-DJKKODMXSA-N 342.738 4.563 30 40 EJEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(F)c1 9141969 WSVCGSSAFJSYRS-UHFFFAOYSA-N 330.318 4.849 30 40 EJEB CCCCCCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 100593850 GWQHMIQOLJNGDX-UHFFFAOYSA-N 327.424 4.670 30 40 EJEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(C)s2)c(OC)c1 286115 AYIJAEOFBLPVPV-UDWIEESQSA-N 338.432 4.886 30 40 EJEB Cc1cccc(C(=O)Nc2ccc(/N=C/c3ccccc3O)cc2)c1 345220 HRCITKPHXMXOBW-HYARGMPZSA-N 330.387 4.704 30 40 EJEB C=CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC 8111014 MWHVCSPFVKSTRR-XDHOZWIPSA-N 346.224 4.773 30 40 EJEB CSc1nc(NC2CCCC2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820548 ACRNWEDHEBLDTC-UHFFFAOYSA-N 344.871 4.745 30 40 EJEB N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3cccs3)cc2)cc1 3353961 WFKBVUDFAGCHGE-VAWYXSNFSA-N 331.396 4.906 30 40 EJEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 5550912 QTAJTROKBNXIFP-WJDWOHSUSA-N 342.851 4.794 30 40 EJEB Fc1cc(Br)ccc1/N=C/c1ccc2ncccc2c1 9139583 OOZVNUYBIHVDLM-KEBDBYFISA-N 329.172 4.887 30 40 EJEB C=CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 14171096 HKLRBPWRBWPAJQ-UHFFFAOYSA-N 328.824 4.783 30 40 EJEB CN1C/C(=C/C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 31841020 UZMNXCUMVFUXQA-BNYHAQNJSA-N 341.454 4.781 30 40 EJEB O=[N+]([O-])c1cc(/N=C/c2ccc3ccccc3c2O)ccc1Cl 32101633 IAWIAVHYVPSUPT-VXLYETTFSA-N 326.739 4.858 30 40 EJEB CC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccc(F)cc1 102531897 LVJJOUWNELMEMX-SFHVURJKSA-N 333.362 4.558 30 40 EJEB COc1ccc2c(C)cc(N/N=C/c3ccnc4ccccc34)nc2c1 5552766 BHCGCTZWUIXMKF-YDZHTSKRSA-N 342.402 4.546 30 40 EJEB C=CCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OCC 6355039 JASKAJABDOMJEH-UYRXBGFRSA-N 338.428 4.980 30 40 EJEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 13041559 GGWQAAVOKXMNOK-YDZHTSKRSA-N 344.340 4.727 30 40 EJEB COc1ccc(CC/N=C(/S)Nc2ccc(C(C)C)cc2)cc1 13686020 RTCHBBZKPNRAGH-UHFFFAOYSA-N 328.481 4.759 30 40 EJEB CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1Cl 100985580 WTNQGRZQCWFAFQ-DJKKODMXSA-N 340.206 4.779 30 40 EJEB Cc1ccccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3[nH]2)c1C 408591562 UXCJEVATPCUEOM-LPYMAVHISA-N 343.434 4.725 30 40 EJEB COc1cc(Br)c(/C=N/c2cc(C)ccc2C)cc1OC 8367901 QZCQJDXYNQORFX-VXLYETTFSA-N 348.240 4.834 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O 409100553 USBCVMUNZOLVDL-DEDYPNTBSA-N 333.347 4.795 30 40 EJEB N#C[C@@H](c1ccc(N)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1731811 RTOYAUPYTHGILO-YADHBBJMSA-N 340.426 4.933 30 40 EJEB Cc1ccc(/C(=N\OC(=O)c2cccs2)c2ccccc2)cc1C 5746828 QLIDLHNQUJKUQO-VZCXRCSSSA-N 335.428 4.974 30 40 EJEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 7017124 VWQAUXGYSPCPSA-BONVTDFDSA-N 345.295 4.528 30 40 EJEB C=C(C)CSc1nc2ccccc2c(=O)n1CC1CCCCC1 50359762 DAHVICRWWHXEPF-UHFFFAOYSA-N 328.481 4.645 30 40 EJEB C=CC[C@@H]1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=S 101196446 UPCZEHCWRAYRMR-ZEIZSXSISA-N 333.503 4.623 30 40 EJEB C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 248153918 HPQKNJHVWUWAOR-PALCPLIKSA-N 336.472 4.741 30 40 EJEB biogenic,in-vitro COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408737977 GZCMRIWUKHPBRD-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB Cc1cc(N[C@H](C)c2ccccc2)n2c(nc3ccccc32)c1C#N 91840 LEHPBEXQJOWRLI-OAHLLOKOSA-N 326.403 4.841 30 40 EJEB Clc1ccc(N2CCN(/N=C\c3cccc4ccccc34)CC2)cc1 5009046 UUVMUEFUTNKDEB-KQWNVCNZSA-N 349.865 4.649 30 40 EJEB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(F)c(F)c1 12758941 TWXABSZRECIILZ-PKNBQFBNSA-N 338.357 4.663 30 40 EJEB N#Cc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)c(F)c1 12775671 ZBYBLPXUSGGNGC-UHFFFAOYSA-N 333.410 4.558 30 40 EJEB FC(F)(F)c1cccc(N/N=C\c2cc(Cl)nc(Cl)c2)c1 33376658 CFEVPQLROGXWMY-GXHLCREISA-N 334.128 4.853 30 40 EJEB COc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c(OC)c1 51318633 QNZJKQIOQUUJGX-VAWYXSNFSA-N 325.408 4.636 30 40 EJEB N#Cc1c(F)cccc1NCc1ccc(Oc2ccc(F)cc2)nc1 58402447 RVGNPQPKWFSHBY-UHFFFAOYSA-N 337.329 4.636 30 40 EJEB C=CCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(F)(F)F 225954828 ZCAUEAGGKCIHRL-UHFFFAOYSA-N 327.346 4.789 30 40 EJEB C=C(C)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 487017 PTXYCMLYHICVGW-UHFFFAOYSA-N 336.387 4.732 30 40 EJEB biogenic Cc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1 3044124 XNVBSLMNMDEIHN-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(F)c(F)c1 3233294 YHCUPUHKMRAEEC-UFFVCSGVSA-N 331.753 4.863 30 40 EJEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 4740354 QWCAUALQACXDDZ-BUABVIFSSA-N 348.446 4.839 30 40 EJEB O=[N+]([O-])c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)ccc1Cl 5344291 OPASLRRZVRAZOW-UFWORHAWSA-N 343.692 4.713 30 40 EJEB Oc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1 5532255 QQSIHEIOCUTBBL-LSHDLFTRSA-N 346.415 4.510 30 40 EJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 20672508 ACFSWZUUORQKGY-GOSISDBHSA-N 337.810 4.568 30 40 EJEB C=C(C)CSc1nnc(COc2ccccc2)n1-c1ccccc1 27532677 OVHKISQAQLTQIQ-UHFFFAOYSA-N 337.448 4.515 30 40 EJEB C=CCn1c(C)c(C)c(-c2nc(-c3ccc(OC)cc3)cs2)c1N 102420392 XCZONXIQXOJKRY-UHFFFAOYSA-N 339.464 4.672 30 40 EJEB Cc1ccccc1C1(NC(=S)Nc2ccc(CC#N)cc2)CCCC1 225852973 WVSKYZJCIBGWOD-UHFFFAOYSA-N 349.503 4.817 30 40 EJEB C=CCn1c(-c2ccccc2)csc1=Nc1cccc([N+](=O)[O-])c1 254405877 YKTDBFRNXMIPFJ-UHFFFAOYSA-N 337.404 4.543 30 40 EJEB Brc1cccc(/N=C/c2ccc(N3CCCC3)cc2)c1 408959877 HHBDCJFVDJAWDR-CPNJWEJPSA-N 329.241 4.800 30 40 EJEB CCOc1ccccc1[C@@H](CC)Nc1nc(C(F)(F)F)ccc1C#N 522417681 JEGKIPPDVUQUOF-CQSZACIVSA-N 349.356 4.934 30 40 EJEB N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2 514024 PJRHZQCSPNPRJT-UHFFFAOYSA-N 337.231 4.668 30 40 EJEB C#CCn1c(SCc2ccc(Cl)c(Cl)c2)nc(C)c1C 4024023 GQHZAFINTZJDJU-UHFFFAOYSA-N 325.264 4.732 30 40 EJEB O=C(/C=C/c1cccs1)c1ccc(OC(=O)c2cccs2)cc1 4118270 NOIZIQPMALDFOW-MDZDMXLPSA-N 340.425 4.925 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 15932219 VGIIMQDYISWWRF-DHDCSXOGSA-N 346.814 4.679 30 40 EJEB CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccccc2)n1 19820814 YXNGBBMSQUFKOG-BBRMVZONSA-N 338.480 4.728 30 40 EJEB Cc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 101203175 FRQWGOMGWDWQDF-OEAKJJBVSA-N 339.398 4.649 30 40 EJEB N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccccc1Cl 225887938 ZPKCWNZAXPZMSN-UHFFFAOYSA-N 339.851 4.795 30 40 EJEB Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(C(=O)O)cc1 409246672 ADUNADMTGGZANT-CIAFOILYSA-N 338.794 4.888 30 40 EJEB CCc1c(C)sc(NC(=O)/C=C/c2c(F)cccc2Cl)c1C#N 368817 AZKOAEZXXLHXNW-BQYQJAHWSA-N 348.830 4.935 30 40 EJEB N#Cc1c(NC(=O)CCc2c[nH]c3ccccc23)sc2c1CCCC2 2660082 BLRJFXPJPYYEGV-UHFFFAOYSA-N 349.459 4.551 30 40 EJEB C=CCOc1ccccc1[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]21 4959429 WCIRIGFPEWGCHY-MRUHUIDDSA-N 347.414 4.776 30 40 EJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 9188407 TXWLISXCCVVIDT-LGMDPLHJSA-N 337.469 4.741 30 40 EJEB CCCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1 34953995 BVUPEMJWVNOKIF-UHFFFAOYSA-N 343.430 4.967 30 40 EJEB CC/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(F)cc1 4871748 FVLRGQVZJHZFMV-LTGZKZEYSA-N 329.444 4.543 30 40 EJEB Cc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)n1 5578005 SYQIDLYHKFGKEL-WSDLNYQXSA-N 347.466 4.564 30 40 EJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cn2)o1 27983954 LTOTZOWKZBUSAE-UHFFFAOYSA-N 348.402 4.543 30 40 EJEB CN1C/C(=C/C=C\c2ccccc2)C(=O)/C(=C\C=C\c2ccccc2)C1 31841022 UZMNXCUMVFUXQA-JCGMGKEGSA-N 341.454 4.781 30 40 EJEB N#C[C@H](NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F 73224357 YQIUUFXRTZDIFP-BMRMXDDPSA-N 334.385 4.828 30 40 EJEB O=C(Nc1ccc(/N=C/c2ccncc2)cc1)c1ccccc1Cl 100384244 KHDAGSORMVQERH-LPYMAVHISA-N 335.794 4.738 30 40 EJEB CCCCCCCCOc1ccc(Br)cc1C(=O)O 105713695 FXZMAOLOSQTMAP-UHFFFAOYSA-N 329.234 4.887 30 40 EJEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=N/O)CC[C@H]32)C1 253505148 QLSVFSSDFUXCHZ-SAMZPLIMSA-N 345.483 4.711 30 40 EJEB biogenic,in-vitro Nc1cc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1 1504250484 SJQUIVATEHIYCO-UHFFFAOYSA-N 325.183 4.636 30 40 EJEB CCCCCCCCC[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 3115089 CXNATEZOVVRARQ-RTBURBONSA-N 342.483 4.949 30 40 EJEB biogenic N#Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 28193573 HTVWJYIRDRMOGP-UHFFFAOYSA-N 334.400 4.696 30 40 EJEB CCCCCCCCNCc1cc(Br)ccc1OC 102562001 KUIIVUBDMRWLTL-UHFFFAOYSA-N 328.294 4.908 30 40 EJEB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1 223011836 GTRXABZFZXFRIO-GOSISDBHSA-N 342.826 4.511 30 40 EJEB Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 408737533 CSPZBLQEGNEWEL-CIAFOILYSA-N 337.354 4.892 30 40 EJEB CC[C@H]([C@H](C)c1ccc(OC)cc1)[C@@H](C=O)c1ccc(OC)cc1 888086480 UWBBNODFLSXEEO-LPTQZCDUSA-N 326.436 4.816 30 40 EJEB FC(F)(F)CNc1cccc(OC(C(F)(F)F)C(F)(F)F)c1 1083811731 JUGMZRJPNCVELA-UHFFFAOYSA-N 341.173 4.533 30 40 EJEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C)cc1 5500163 AIBBGJJMTONBBB-UHFFFAOYSA-N 346.459 4.604 30 40 EJEB O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 6223268 LDWWDKFRAGCQSK-OEAKJJBVSA-N 349.361 4.596 30 40 EJEB COc1cc(/C=C\C(=O)c2cccc3ccccc23)cc(OC)c1OC 8655566 GJAIIBGSTCBLNH-QXMHVHEDSA-N 348.398 4.762 30 40 EJEB CCCCCCCCSc1nnc(Cc2ccccc2)c(O)n1 97957239 FZVATMYUJAPKFK-UHFFFAOYSA-N 331.485 4.621 30 40 EJEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(N2CCCC2)c(C)c1C 98086522 MRDKZXOQAMKJHU-LPYMAVHISA-N 336.435 4.661 30 40 EJEB C=CCOc1ccc(NC(=O)c2ccccc2SCC=C)cc1 219808012 IOVFAGLDNRNHRF-UHFFFAOYSA-N 325.433 4.782 30 40 EJEB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 566946 DLNIFRYABMSKCQ-UHFFFAOYSA-N 340.448 4.538 30 40 EJEB CCOc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OCC 4545674 QYSSIZPNOXDIDG-XDHOZWIPSA-N 341.436 4.540 30 40 EJEB COc1ccc(C/C(C)=N/N=C(/S)Nc2ccc(C)c(C)c2)cc1 8687618 AKNANHFIDAISPZ-RCCKNPSSSA-N 341.480 4.628 30 40 EJEB Cn1c(=S)ss/c1=N\C(=N/c1ccccc1)c1ccccc1 13551546 JTCJGMPPZFPULS-UBTQEXSZSA-N 343.502 4.557 30 40 EJEB C[C@]12CN(C(=O)c3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@H]1CC[C@]23C 35986563 DLKZOUFFUFJOFP-KJGCIYADSA-N 349.261 4.538 30 40 EJEB CC1(C)CC(N2CCCCC2)=C/C(=N\C2CC(C)(C)NC(C)(C)C2)C1 103447189 KZKALSHLGZXGHK-HAVVHWLPSA-N 345.575 4.926 30 40 EJEB Clc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 4334670 WICKRUDMALOVRW-ZVBGSRNCSA-N 342.855 4.670 30 40 EJEB CC[C@@H](C)n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O 4949224 KDSLBPDYLQVTBG-CQSZACIVSA-N 349.459 4.531 30 40 EJEB CCOP(=O)(OCC)O/N=C(\C)c1ccc(C(F)(F)F)cc1 4963914 DINNNACUYLGCHT-LICLKQGHSA-N 339.250 4.627 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2ccc(Br)cc2)c1 8570607 PEJYNYNGPYSVMN-UHFFFAOYSA-N 346.224 4.656 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225515745 ZMSNUENCMIEGOD-INIZCTEOSA-N 340.492 4.559 30 40 EJEB CCCCCCCCC[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 3115088 CXNATEZOVVRARQ-RBUKOAKNSA-N 342.483 4.949 30 40 EJEB biogenic O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccccc1Br 3233183 TXULASKEWPEVBP-ARCZGTBSSA-N 331.169 4.773 30 40 EJEB O=[N+]([O-])c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4575650 BOIADDHOQWRIGK-KGENOOAVSA-N 332.359 4.924 30 40 EJEB Cc1ccc(/N=C\c2ccccc2I)c(C)c1 408553146 XYYKEOUBIRPSAN-YVLHZVERSA-N 335.188 4.659 30 40 EJEB O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)C(F)(F)Cl 575242622 ATGROTBILITPKM-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB C=CCCCC(=O)Nc1cc(Br)ccc1Br 4616863 JDZHVLGTINCVDH-UHFFFAOYSA-N 347.050 4.506 30 40 EJEB C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13540558 ZNWOYQVXPIEQRC-HOFZUOGSSA-N 330.512 4.763 30 40 EJEB biogenic,in-vitro OC1=NC(=Nc2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 16958715 GVOSDWFMUICKEL-BSYVCWPDSA-N 340.386 4.881 30 40 EJEB N#Cc1c(CSC2=Nc3ccccc3CS2)cn2ccccc12 58050403 SDRBKPHGRVEYAQ-UHFFFAOYSA-N 335.457 4.979 30 40 EJEB C/C(=N\Nc1nc2ccccc2n1C)c1cc2cc(Cl)ccc2o1 98054909 QODFWUKBQPGADX-SRZZPIQSSA-N 338.798 4.809 30 40 EJEB CCCCCCCCCCCC(=O)N(CCO)CCc1ccccc1 104192906 GDOVLOMTQCSIQU-UHFFFAOYSA-N 347.543 4.971 30 40 EJEB C[C@@H](Cc1c[nH]c2ccc(Cl)cc12)/N=C/c1ccc(N(C)C)cc1 53115 OLMYSIMMFFTHPX-OFJBCHTGSA-N 339.870 4.937 30 40 EJEB C(=N/Nc1nc2ccccc2[nH]1)\c1cccc(Oc2ccccc2)c1 3902918 GVCOZZLGDAWONE-KGENOOAVSA-N 328.375 4.801 30 40 EJEB C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCCC3 4813624 QLQHADMMJOZAGJ-UHFFFAOYSA-N 348.537 4.661 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c(OC)c1 6641276 ANMASKXDTNCLSB-XBXARRHUSA-N 337.202 4.907 30 40 EJEB CC(C)Oc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9196911 LMWICVQTHWKLRY-KEBDBYFISA-N 337.250 4.904 30 40 EJEB CC/C(C)=N\Nc1nc2c(C)cc(Br)c(C)c2s1 45957894 ZBIVKVKSHHGXTK-PXNMLYILSA-N 326.263 4.873 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2cccc(C)c2C)cc1OC 409122426 YJDMJRWHDRNKBN-UHFFFAOYSA-N 335.447 4.665 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 351186 UYOHMTBFVHUORY-SNVBAGLBSA-N 330.840 4.650 30 40 EJEB C=CCn1c(SCc2ccccc2)nnc1-c1ccc(F)cc1 4196781 OIRDIJSZGZQIKU-UHFFFAOYSA-N 325.412 4.563 30 40 EJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(Cl)c1 13476322 ZKMQAGAAWPDESO-NTEUORMPSA-N 349.242 4.885 30 40 EJEB C/C(=N\OCCOc1cccc2ccccc12)c1sc(C)nc1C 98055388 IQCKICZMXZIIBW-KGENOOAVSA-N 340.448 4.733 30 40 EJEB COc1ccc(/C(O)=C/C=N/c2cccc(Br)c2)cc1 100035562 CYKNIJQKGCMOFK-NIZQRAKSSA-N 332.197 4.759 30 40 EJEB Cc1ccc(/C(=N\O)c2oc3ccc4c(C)cc(=O)oc4c3c2C)cc1 100076862 BMFVYUUSIBKZLG-ZBJSNUHESA-N 347.370 4.691 30 40 EJEB biogenic C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-])C2 100770170 FVARSWRSCSCKGL-KUHUBIRLSA-N 328.412 4.533 30 40 EJEB Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882367 WDAMNUBXVLKLAH-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)cc1 408739083 STISRPIMCVVTCR-LPYMAVHISA-N 332.403 4.851 30 40 EJEB Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 409372084 LCJDIBVCKZTHIO-NTCAYCPXSA-N 345.354 4.986 30 40 EJEB C=CCNC(=O)c1cc(-c2cc(C(F)(F)F)ccc2Cl)oc1C 5059645 OICFRJXJEYQUBP-UHFFFAOYSA-N 343.732 4.843 30 40 EJEB CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 8363000 DVNBTBUZFODDHU-CUNGHOPLSA-N 340.423 4.758 30 40 EJEB C=C(C)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 12137903 LFMUDZHFFLFMPA-UHFFFAOYSA-N 335.325 4.913 30 40 EJEB N#Cc1ccc(F)c(CN2CCC[C@H]2c2nc3ccccc3s2)c1 57661255 MVALXMGLPUEYIU-KRWDZBQOSA-N 337.423 4.644 30 40 EJEB C[C@@H]1CCCC[C@H]1/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82077138 RUHXGWLESZDFTQ-CZUORRHYSA-N 342.405 4.672 30 40 EJEB CN(C)c1ccc(/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 104257686 VZPVVPDSPKHMIV-XTQSDGFTSA-N 328.415 4.756 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 225470131 LECDRFLKXXLDMK-HNNXBMFYSA-N 326.465 4.607 30 40 EJEB N#Cc1cc(N)c(Cc2ccccc2)n1Cc1cccc2ccccc12 225857071 ARRPLWNUTLQMHT-UHFFFAOYSA-N 337.426 4.734 30 40 EJEB Cc1ccc(/C=N/c2nc3c(s2)CCc2ccccc2-3)cc1[N+](=O)[O-] 408723259 SGUXTALZFMQTTD-RGVLZGJSSA-N 349.415 4.876 30 40 EJEB C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 4506673 TZEKDGCJVJLRLT-MRXNPFEDSA-N 342.398 4.842 30 40 EJEB O=C(/C=C/c1ccccc1)CCNCC1(c2ccccc2)CCCC1 5946199 BRMZNICOYGTYPP-BUHFOSPRSA-N 333.475 4.761 30 40 EJEB C[C@H](C/C=N/N1CCCCC1)Nc1ccnc2cc(Cl)ccc12 6442824 VIJKAUNKFZAHMN-YVJZOELXSA-N 330.863 4.550 30 40 EJEB N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2o1 41545005 ICFDUTSEXYZPOO-CYBMUJFWSA-N 336.416 4.648 30 40 EJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccccc3)cc2)c1 408595177 VVIARVAYBQOXRJ-KGENOOAVSA-N 332.359 4.813 30 40 EJEB CC(C)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409128999 QHGNALNTLGMCND-HYARGMPZSA-N 326.415 4.536 30 40 EJEB C[C@H]1CCC/C(=C/Nc2ccc(Br)cc2Cl)C1=O 409179570 RKPJJOMCXSXXCS-CUQRQBARSA-N 328.637 4.787 30 40 EJEB N#C/C(=N/Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 5379998 JNOXKKJQSPDODB-QRVIBDJDSA-N 346.337 4.655 30 40 EJEB C[C@H]1CCC[C@H](C)N1/N=C/c1c[nH]c2ccc(Br)cc12 6049262 HIIYQZLCLRSUGB-HGABLCPXSA-N 334.261 4.527 30 40 EJEB O=c1ccc2c([nH]1)CCC[C@@H]2/N=C/c1sc2ccccc2c1Cl 69487557 RCFURXBWPZQGSG-NPNVKNKFSA-N 342.851 4.740 30 40 EJEB CCCCCCCNC(=O)CCCCC(=O)NCCCCCCC 97940267 UVGQOCHIIWOWJD-UHFFFAOYSA-N 340.552 4.720 30 40 EJEB CCCCCCC(C)(C)C1=CC(=O)C([C@H]2CCC[C@@H](O)C2)=CC1=O 148250338 HJSQDMFICBAVFK-JKSUJKDBSA-N 332.484 4.539 30 40 EJEB in-vitro C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1OC 219800426 INUADKXLKOILJK-UHFFFAOYSA-N 333.840 4.879 30 40 EJEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(O)c1ccoc1 256465615 WAODSNXUGKNQRK-OVQJPPBNSA-N 340.463 4.609 30 40 EJEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@H]3CC[C@@]21CC 1616083843 YJGGGFXBWMZHMQ-RSFSFSNISA-N 340.507 4.844 30 40 EJEB CC(C)(C)c1ccc(Cn2c(-c3ccccc3)ccc(C#N)c2=O)cc1 1402921 SXNGLAXVGZNGNT-UHFFFAOYSA-N 342.442 4.733 30 40 EJEB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)COc2ccccc21 6559796 LZZFUFVCJUYSCQ-SDNWHVSQSA-N 347.326 4.514 30 40 EJEB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2C=O 43759766 SHBDEYQGGFCLQI-RDWCLUPISA-N 344.495 4.507 30 40 EJEB OC1=NC(=N\c2ccccc2)/C(=C/c2cccc3cccnc23)S1 72401827 JADMCCZYQSWQIN-VBKFSLOCSA-N 331.400 4.967 30 40 EJEB C=C(C)CN(CC)C(=O)Nc1cccc(CSC2CCOCC2)c1 95397933 FXDZPELZQOSHQJ-UHFFFAOYSA-N 348.512 4.529 30 40 EJEB Oc1ccccc1/C=N/c1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 103760125 BXNNSVSYOZRPCZ-SZMDNZPDSA-N 347.458 4.726 30 40 EJEB CCCCCCCCCCCCCCCCN1CNC(=O)NC1 104380763 BZJDICJOQZUSSZ-UHFFFAOYSA-N 325.541 4.998 30 40 EJEB O=[N+]([O-])c1ccccc1/C=N/c1nc2c(s1)-c1ccccc1CC2 408722308 GVGLLJWHFVRECH-YBFXNURJSA-N 335.388 4.568 30 40 EJEB CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C#N)cc2)cc1 3894601 HOKCULKDZLIAMP-NTEUORMPSA-N 335.403 4.746 30 40 EJEB biogenic CC(=O)C1=C(C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 43760890 CRCLPPBJMHAOFC-RPRDNOHOSA-N 330.512 4.905 30 40 EJEB N#Cc1c(Cl)ncc(Cl)c1-c1ccc(Br)cc1 256050775 GLYOCTITPZJQKW-UHFFFAOYSA-N 327.996 4.690 30 40 EJEB C=CCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1 408912754 RWWIQEFAOJKDCA-STZFKDTASA-N 347.374 4.759 30 40 EJEB Clc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408931556 NCFKYSVMNFXYRU-UDWIEESQSA-N 335.234 4.581 30 40 EJEB N#Cc1oc2ccccc2c1NC(=O)Cc1c(Cl)cccc1Cl 3414685 PLDFHMLACZUOTL-UHFFFAOYSA-N 345.185 4.792 30 40 EJEB Cc1cc(C)[n+]2c(c1C#N)S[C@H](c1ccccc1)[C@H]2c1ccccc1 4727983 CJFNLHIODIEEFO-NHCUHLMSSA-N 343.475 4.899 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N=C2Nc1ccccc1 7499289 NIBNTNSNQOZONO-UHFFFAOYSA-N 331.419 4.897 30 40 EJEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1C 9195975 SMHSPZUDNOHVPS-UFFVCSGVSA-N 346.261 4.917 30 40 EJEB COc1ccc2cc(C(=O)/C=C/c3cccc(OCC#N)c3)ccc2c1 58314997 LFDMXBUPCVYELN-BJMVGYQFSA-N 343.382 4.647 30 40 EJEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(OC)nc3)c2C)cc1 409187122 MHWIBPRUYQHKQN-XKZIYDEJSA-N 349.434 4.647 30 40 EJEB COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OC 5514883 UVIGPWQADGJLAG-RMKNXTFCSA-N 337.202 4.907 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(F)F 6047911 JMEQBXBJGZGGDC-KRXBUXKQSA-N 338.737 4.846 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC 6510699 OULSJLUMDHMDGH-SOFGYWHQSA-N 330.811 4.870 30 40 EJEB C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 12997916 JMJVTTRVXLLSDW-UHFFFAOYSA-N 345.446 4.578 30 40 EJEB N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 14237096 WINSRFVIGICYAD-QGZVFWFLSA-N 347.443 4.535 30 40 EJEB C=CCc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1OC 30854739 WRDNJBSJXVTJFF-HXUWFJFHSA-N 337.463 4.941 30 40 EJEB Cc1sc(NC(=O)c2ccc(OCC(C)C)cc2)c(C#N)c1C 9142090 VYGHENPDPFYBOZ-UHFFFAOYSA-N 328.437 4.524 30 40 EJEB Cn1/c(=N/N=C2c3ccccc3-c3ccccc32)ccc2ccccc21 4459119 UPPBIMDRNQERCE-ZNTNEXAZSA-N 335.410 4.512 30 40 EJEB Cc1nc(SCc2nc3ccccc3s2)c(C#N)c(C)c1C 5089147 OTFJLEZUODKGDX-UHFFFAOYSA-N 325.462 4.781 30 40 EJEB COc1ccc2cc(C(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc2c1 5128969 DQUNBQTYBQHQPX-PKNBQFBNSA-N 333.343 4.653 30 40 EJEB CN(Cc1cc(C#N)ccc1F)C(c1ccccc1)c1ccccc1 22515031 UTWJTYBJAVNYGX-UHFFFAOYSA-N 330.406 4.919 30 40 EJEB Cc1cc2occ(CC(=O)Nc3sc(C)c(C)c3C#N)c2cc1C 32986031 BXDALLOEBQOFNU-UHFFFAOYSA-N 338.432 4.781 30 40 EJEB O=C1C(c2ccccc2)=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 100683924 NBOXVFAPQGNOHK-UHFFFAOYSA-N 342.354 4.772 30 40 EJEB N#CCc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225324818 PHFCMXCOPLGAMQ-UHFFFAOYSA-N 333.218 4.631 30 40 EJEB C[C@H](NC(=O)Nc1cccnc1-c1ccccc1)c1cccc(C#N)c1 611109922 IMFUQMFEVLRAGV-HNNXBMFYSA-N 342.402 4.503 30 40 EJEB O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccccc1Cl 340684 ZSUGDMDDNBETIQ-UHFFFAOYSA-N 337.850 4.976 30 40 EJEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(N)c1 4475467 QCKRUEKXWAXTJE-SRZZPIQSSA-N 342.855 4.882 30 40 EJEB Cc1cc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12 5658393 QCHDDOQZUVXJBO-VXLYETTFSA-N 340.770 4.551 30 40 EJEB O=C1C(O)=C/C(=N/c2ccc3c4c(cccc24)CC3)c2ccccc21 105206656 KCMAKHFEVZGHDJ-NMWGTECJSA-N 325.367 4.697 30 40 EJEB N#CCc1ccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c(Cl)c1 529433104 FBAUINOUPMESNC-CVEARBPZSA-N 342.801 4.677 30 40 EJEB CSc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 4517619 VYASCRIOZLMINV-LLVKDONJSA-N 342.489 4.719 30 40 EJEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccccc1 5376280 ITAIBXSLBQFTGO-ZSOIEALJSA-N 349.242 4.885 30 40 EJEB Cc1cccc(C(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1 5747774 DDSFZKLRSHFMJA-UHFFFAOYSA-N 343.430 4.586 30 40 EJEB Cc1sc2nc(SCCCC#N)n(C3CCCC3)c(=O)c2c1C 12872277 LQANCPVODSGXJL-UHFFFAOYSA-N 347.509 4.586 30 40 EJEB COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 18197224 YECQCNQCUPDLTI-OAQYLSRUSA-N 349.430 4.577 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OCC 408535586 ZUQDQFDDOBEENB-UHFFFAOYSA-N 331.799 4.556 30 40 EJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 408708538 JQPAEJBKVHMFPD-UHFFFAOYSA-N 332.488 4.615 30 40 EJEB CC(C)Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357350 DRNODCSETAWIGG-UHFFFAOYSA-N 330.243 4.901 30 40 EJEB Clc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1Cl 247593 XHDBMYNJNZJRNN-UDWIEESQSA-N 335.234 4.581 30 40 EJEB N#Cc1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCCC2 4611933 HZTVMUPFFFOFAU-GUTXKFCHSA-N 328.481 4.653 30 40 EJEB N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 4712316 ALHMCMOSGILSDR-JCMHNJIXSA-N 338.823 4.803 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OC 6962189 BELKVHBUXLFGJS-FYJGNVAPSA-N 343.810 4.510 30 40 EJEB C=CCNc1nnc(S[C@@H](C)c2nc3ccccc3s2)s1 8131573 DUPJRVDPLUDSBI-VIFPVBQESA-N 334.495 4.599 30 40 EJEB O=C1/C(=C/N(C(=O)c2ccco2)c2ccccc2)Sc2ccccc21 13807515 KVFRTXUPGCHYSV-AQTBWJFISA-N 347.395 4.756 30 40 EJEB COc1cc(Br)cc(/C=N/c2ccc(Cl)cc2)c1O 100318838 AOTVWKZCCRIMON-CAOOACKPSA-N 340.604 4.567 30 40 EJEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 408849705 YGFVSCIOHAYKRI-LFVJCYFKSA-N 340.430 4.842 30 40 EJEB CCC1([C@](O)(C#CCN2CCCCCC2)c2ccccc2)CCCC1 1767747 TZPYZVAVKFJQAT-QHCPKHFHSA-N 339.523 4.724 30 40 EJEB Cc1ccc(/N=C\c2cc(C)cc(/C=N/c3ccc(C)cn3)c2O)nc1 13773995 DHKDPKHYGWLHPJ-UNFIKANMSA-N 344.418 4.609 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c1 502235 DQUMSCPUWFLITB-FYJGNVAPSA-N 342.358 4.889 30 40 EJEB O=C1c2ccccc2C(=O)C1/C(=N/c1ccc(F)cc1)c1ccccc1 100412468 IENDWHCBHFUQEK-HIXSDJFHSA-N 343.357 4.642 30 40 EJEB C(C#Cc1ccccc1)#CCn1c(-c2ccccc2)nc2ccccc21 6402808 XWFUWCQLSPXISP-UHFFFAOYSA-N 332.406 4.758 30 40 EJEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 14059998 NVXGHTOYCWANGW-UHFFFAOYSA-N 331.828 4.670 30 40 EJEB Oc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1 59461330 PEXABUKWOVYAIC-OTMUCCKHSA-N 338.388 4.583 30 40 EJEB CC(=O)C1=C(C)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928539 CRCLPPBJMHAOFC-WRKHRYLDSA-N 330.512 4.905 30 40 EJEB Cc1ccccc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1C 409066892 XCQTUPNDFWHYGY-FYJGNVAPSA-N 348.406 4.757 30 40 EJEB O=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1c1ccccc1 1702337 KHXDUUIFQRMZRK-UHFFFAOYSA-N 336.390 4.833 30 40 EJEB Clc1ccccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 5003827 GHOAAQNTMSUFIF-ZVBGSRNCSA-N 342.855 4.670 30 40 EJEB N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)o1 5221449 SJQDGEWSTUKFPR-UHFFFAOYSA-N 327.796 4.554 30 40 EJEB CC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 18056881 MQVUPCKTWKAUGE-HZHRSRAPSA-N 344.414 4.975 30 40 EJEB CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(O)c1 32502227 JVDNWAQKXIYYHG-KPKJPENVSA-N 337.419 4.544 30 40 EJEB C=CCN1C(=O)/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc21 100392401 XSOQXEYPILWLCT-SILNSSARSA-N 331.202 4.647 30 40 EJEB CCN1c2ccc(/C=N\c3ccc(OC)nc3)cc2C(C)=CC1(C)C 223473263 PXGXAGFTNBIUCY-XKZIYDEJSA-N 335.451 4.863 30 40 EJEB CSc1nc(Nc2cccc(C)c2)c(C#N)c(-c2ccccc2)n1 8614947 BHEXMAIYPJWBJH-UHFFFAOYSA-N 332.432 4.789 30 40 EJEB CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1O 12754977 VPPXBEUGSHISCJ-VOTSOKGWSA-N 346.810 4.657 30 40 EJEB CCN(CC)CC(C)(C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 31792899 VRPSWPVOYPUSFV-NTMALXAHSA-N 328.283 4.944 30 40 EJEB Cc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1 1403794 SZGBXTNPOCPHMO-UHFFFAOYSA-N 334.400 4.534 30 40 EJEB CCN(CC)c1ccc(/C=N/c2ccccc2Br)c(O)c1 3218435 RLSHNWICTIVFMA-XDHOZWIPSA-N 347.256 4.752 30 40 EJEB O=C1Nc2ccc3cc4ccccc4cc3c2/C1=N/Nc1ccccc1 13403038 QDNBAHUGNZSMDY-UHFFFAOYSA-N 337.382 4.761 30 40 EJEB biogenic C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1C 16711342 NUPBQZRVHOBCOW-MRCUWXFGSA-N 336.460 4.952 30 40 EJEB Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 66545018 JMDFETCHIKUWCX-AWEZNQCLSA-N 349.440 4.542 30 40 EJEB Brc1cc(/C=N/c2ccccc2)oc1Br 408950930 GWRANGMVYQSDKH-VGOFMYFVSA-N 328.991 4.555 30 40 EJEB COc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O 46311 QWOKEBWUPJWONP-CAOOACKPSA-N 340.604 4.567 30 40 EJEB COc1ccc(OC)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 3963361 XRMNQAKQNOYHDE-QPJJXVBHSA-N 337.202 4.907 30 40 EJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1 4645153 AUJFOCXNPURNFR-NTEUORMPSA-N 349.242 4.885 30 40 EJEB C/C(=N\Nc1ccc(C#N)cc1[N+](=O)[O-])c1c(C)c(C)cc(C)c1C 5697554 AFUCSYJRICPLLY-RCCKNPSSSA-N 336.395 4.536 30 40 EJEB Clc1ccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)nn1 7156160 RMLAHWZPUZJHSM-CIAFOILYSA-N 347.809 4.724 30 40 EJEB Oc1ccccc1/C=N\N=c1c2ccccc2sc2ccccc12 5048292 MQSAACDQNNFEQD-BKUYFWCQSA-N 330.412 4.695 30 40 EJEB C=CCNC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 7560943 FBHCKYWTGFRXPE-UHFFFAOYSA-N 326.509 4.627 30 40 EJEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCc1ccc(F)cc1 8654547 KTDZOFLZHQVEOL-BJMVGYQFSA-N 337.329 4.607 30 40 EJEB CC(/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O)=C\c1ccccc1 17779898 PQJZDZLDUCXUIF-MNPLYOLFSA-N 334.444 4.833 30 40 EJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1cccc(F)c1 35647326 IINAKLMEWIYVRS-WOJGMQOQSA-N 348.402 4.871 30 40 EJEB C=CCc1cc(/C=N/Nc2ccc3ccccc3n2)cc(OCC)c1O 59678930 ITRNLHDKITWHJP-HYARGMPZSA-N 347.418 4.514 30 40 EJEB O=C(/C=C/c1cccc(Br)c1)c1cc(Cl)ccc1O 72333040 GGGIUMFYOKMCHF-GQCTYLIASA-N 337.600 4.704 30 40 EJEB N#Cc1ccc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1 225658341 BOICZEFDPGLVRU-GOSISDBHSA-N 338.838 4.622 30 40 EJEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 409200784 JLZNOUCITHOUSI-KGENOOAVSA-N 332.359 4.924 30 40 EJEB C=CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 59426401 LCRRBUJIYDNUHP-MNVZFQSXSA-N 338.407 4.616 30 40 EJEB COc1ccc(/C=C/C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 102939674 QITRUDBOPMEGJP-VUPRMNMUSA-N 333.431 4.589 30 40 EJEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)cc1 219815755 XUGAADKFTSWKAG-SFHVURJKSA-N 341.476 4.854 30 40 EJEB CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 4499446 FSIGWXQHNOGDFP-JLZFKDTQSA-N 347.443 4.792 30 40 EJEB COc1cccc(/C=N/Nc2nc(-c3ccc(C)cc3C)cs2)c1 4957173 VUULVBJFNSRUGL-RGVLZGJSSA-N 337.448 4.882 30 40 EJEB N#Cc1c(N)c(C#N)c2c(c1-c1ccccc1)CSc1ccccc1-2 6276972 BYKQOOKSPPJYPJ-UHFFFAOYSA-N 339.423 4.952 30 40 EJEB CCc1ccc(C(=O)C[n+]2ccc(/C=C/c3ccccc3)cc2)cc1 26441340 MRLRHOQSMLKMJN-CMDGGOBGSA-N 328.435 4.590 30 40 EJEB COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(F)cc3)cc2c1 69701154 UCFZTPUYKNQWTL-RUDMXATFSA-N 341.769 4.932 30 40 EJEB C/C(=N\NCc1ccc(Cl)cc1)c1ccc(Br)cc1 408711870 OLXWAUWGINHYSI-YBFXNURJSA-N 337.648 4.616 30 40 EJEB CC(C)CN(CC#CC(O)(c1ccccc1)c1ccccc1)CC(C)C 2279569 AEPAHXVSOAYTIT-UHFFFAOYSA-N 349.518 4.540 30 40 EJEB C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O 3875839 ROVGZAWFACYCSP-WIURDZCKSA-N 328.452 4.558 30 40 EJEB CCCCC[C@H](O)/C=C\C1=C(CCCCCCC(=O)O)C(=O)CC1 13538413 YBHMPNRDOVPQIN-AINHQSCGSA-N 336.472 4.569 30 40 EJEB N#Cc1ccccc1-c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 14855776 HXTMUXPUZGDDIW-SFHVURJKSA-N 344.380 5.000 30 40 EJEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)s3)S2)c1 18255109 IIYZQLNQKNYCAE-WQLSENKSSA-N 334.853 4.602 30 40 EJEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N(C)c2ccccc2)n1 33325306 APRODKLUZVYYPE-UHFFFAOYSA-N 346.459 4.814 30 40 EJEB Fc1cccc(/N=C/c2cc(Br)c(Br)o2)c1 408953454 PRMMUIRLYYBCMX-GIDUJCDVSA-N 346.981 4.694 30 40 EJEB CCCCOc1ccc(/C=C2\C(=O)ON=C2c2cccc(C)c2)cc1 5707765 AOJSBGNFBANHGJ-RGEXLXHISA-N 335.403 4.518 30 40 EJEB Cc1cc(C)cc(N/C=C\C(=O)c2ccc(Br)cc2)c1 44928621 FDUAIUPAAYPPIT-FPLPWBNLSA-N 330.225 4.874 30 40 EJEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2C)cc1C 225885789 KCJQQFKOPZWVCU-UHFFFAOYSA-N 331.419 4.708 30 40 EJEB CC(C)N(CC#C[C@@](O)(c1ccccc1)C1CCCCC1)C(C)C 1825613 DSNLZFXGLZSOFH-JOCHJYFZSA-N 327.512 4.577 30 40 EJEB Cc1ccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3O)nc2c1 3066478 MBOCPQVOPRLSHA-WSDLNYQXSA-N 344.370 4.965 30 40 EJEB CCc1nc(SCc2ccc(F)cc2)c(C#N)c2c1CCCC2 19957033 NSCHWKIMVKUXSS-UHFFFAOYSA-N 326.440 4.826 30 40 EJEB C=CCOC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 73638314 TWFIFWBDPMYIQG-UHFFFAOYSA-N 341.588 4.705 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)cc1 225478210 HEEOVFWRACDLCN-MRXNPFEDSA-N 340.492 4.916 30 40 EJEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225827331 YIBUUXXERMFSSF-FQEVSTJZSA-N 346.471 4.659 30 40 EJEB O=C(c1csc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 575362341 HJEBZKZAEVVYNG-UHFFFAOYSA-N 330.224 4.917 30 40 EJEB COc1ccc(/C=N/c2cc(NC(C)=O)c(Cl)cc2Cl)cc1 293298 YRZBLWKTKPVIBP-DJKKODMXSA-N 337.206 4.711 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2ccc(Br)s2)cc1 6241767 KHAQJUNOJHZZNF-REZTVBANSA-N 349.175 4.975 30 40 EJEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)cc1C#N 225848614 DPEOROXFBLCNFT-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccc(F)cc1 225881433 LSMYMCJEEBXIAI-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB Cc1ccsc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O 409003168 YJTUTEOQZHPJSU-DHDCSXOGSA-N 328.462 4.565 30 40 EJEB Cc1cccc(O)c1/N=C/c1cc(Cl)cc(Br)c1O 59994 GEYQWAARPQQBCY-REZTVBANSA-N 340.604 4.573 30 40 EJEB C=CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OC 8116420 YYKOPXBUEHAAOE-UDWIEESQSA-N 331.799 4.673 30 40 EJEB COc1ccc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)cc1 17858158 CBGVHBIYDMZSIY-UDWIEESQSA-N 337.448 4.937 30 40 EJEB COc1cccc(/N=C2\C=Cc3noc4c3c2c(O)c2ccccc24)c1 103926660 RLDBTEJJNVKEQL-CJLVFECKSA-N 342.354 4.843 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 225461949 WFIPJJILDWYTCQ-IBGZPJMESA-N 338.476 4.615 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 225470162 LECDRFLKXXLDMK-OAHLLOKOSA-N 326.465 4.607 30 40 EJEB CCOc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1Cl 408594653 UPPLGZXKYGYJIC-UFFVCSGVSA-N 349.217 4.814 30 40 EJEB CCc1nc2c(c3[nH]c4ccccc4c13)/C(=N/N(C)C)CC(C)(C)C2 12657461 NJJWWNAZERCYSC-JJIBRWJFSA-N 334.467 4.517 30 40 EJEB biogenic O=[N+]([O-])c1ccc(N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 16490827 INPPWOLXZZROAH-XSFVSMFZSA-N 333.347 4.833 30 40 EJEB CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)NCCCC 100302537 ISFZOGMBOFWRMU-KRWDZBQOSA-N 327.509 4.755 30 40 EJEB C=CCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 16750069 FNDVCJHXVZGRSF-UHFFFAOYSA-N 344.823 4.767 30 40 EJEB Cc1ccc(N2[C@H](c3ccccc3O)Oc3ccccc3[C@@H]2C#N)cc1 17201367 PKLILLXSSPWLOR-UGKGYDQZSA-N 342.398 4.863 30 40 EJEB CSc1nc(NC(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820466 UFYCNDARFAVSDV-UHFFFAOYSA-N 340.496 4.855 30 40 EJEB C[C@@H]1Oc2ccccc2C=C1/C=N/N=C/C1=Cc2ccccc2O[C@@H]1C 27018753 INHNHGUBWMXLHV-ZMTKBKFLSA-N 344.414 4.772 30 40 EJEB C/C(=N\NC(=S)Nc1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 72433964 OOZUKPBHTVWKQC-HYARGMPZSA-N 341.524 4.874 30 40 EJEB C[C@H]1CCCC[C@@H]1/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82077136 RUHXGWLESZDFTQ-BBRMVZONSA-N 342.405 4.672 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C=C1\C(=O)[C@@H]2CC[C@]1(C)C2(C)C 100366241 NYYAZKCVECQWJT-NEYKYECNSA-N 326.480 4.890 30 40 EJEB CCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1 129454 MGKJBJDJKAFYHI-UHFFFAOYSA-N 343.814 4.754 30 40 EJEB C=CCOc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1 1922345 OGBRGYJBIJVBTF-UHFFFAOYSA-N 338.359 4.549 30 40 EJEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2)cc1 4464515 JOHXBBCEIMGGIP-MOSHPQCFSA-N 336.464 4.787 30 40 EJEB CC(/C=C\c1ccccc1)=N\Nc1c(F)c(F)c(F)c(F)c1F 31759954 IQKGWRNUKUWVDU-MJSLOQDOSA-N 326.268 4.883 30 40 EJEB O=C(/C=C/Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 44842635 SRWZGFDNTCNDPI-AATRIKPKSA-N 336.174 4.531 30 40 EJEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)O)c(Cl)c1 59249894 IMZFUGYYVJJUCT-UFWORHAWSA-N 338.190 4.516 30 40 EJEB COc1ccccc1C1(CNc2snc(Cl)c2C#N)CCCC1 64915904 BWXKNMIDNHAEAA-UHFFFAOYSA-N 347.871 4.601 30 40 EJEB C=C(Cl)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671225 RHKBPIVJBGOMFL-GSVOUGTGSA-N 346.523 4.774 30 40 EJEB CCCCCCCNC(=S)N/N=C\c1ccc(Cl)cc1Cl 104377989 WNRSXVILKLSHGV-ODLFYWEKSA-N 346.327 4.762 30 40 EJEB O=C(/C(=C\c1ccncc1)c1nc2ccccc2o1)c1ccccc1 4747043 IOVKXBOFSCCQPV-SAPNQHFASA-N 326.355 4.646 30 40 EJEB N#Cc1ccccc1CSc1nnc(-c2cccs2)n1C1CC1 5231495 DWGCUVVVRGHFLS-UHFFFAOYSA-N 338.461 4.505 30 40 EJEB CO/N=C(\CSCc1ccc(OC)cc1)c1ccc(Cl)cc1 5720495 IKHNVGKUPKEKLD-HTXNQAPBSA-N 335.856 4.633 30 40 EJEB CN(C)CCC(/C=C/c1ccccc1)=N\Nc1ccc(Cl)cc1 5722236 NOAIKPVHFBLNNL-HAQDLIPBSA-N 327.859 4.773 30 40 EJEB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(F)c1F 20029715 JWXJAJJVCMMOES-UHFFFAOYSA-N 337.194 4.514 30 40 EJEB CC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 32502236 ISLYZFZXNCMVOP-YRNVUSSQSA-N 337.419 4.544 30 40 EJEB C=CCc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1OC 222946980 JOORWGKEIVVZFP-MRXNPFEDSA-N 349.474 4.794 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 222959442 GZTRFKKKTVTVSD-LJQANCHMSA-N 339.435 4.664 30 40 EJEB CSc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 4517499 NVGQTQXLUSCYRO-LLVKDONJSA-N 342.489 4.719 30 40 EJEB CSc1nc2c(c(-c3cccs3)c1C#N)-c1ccccc1C2=O 4648835 OEXJFADEPNJFSM-UHFFFAOYSA-N 334.425 4.615 30 40 EJEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 13733983 LVHKDYCKMFWSST-OAHLLOKOSA-N 349.217 4.854 30 40 EJEB CC[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 40049496 KUDMXEDWTXCQKN-QFIPXVFZSA-N 340.426 4.614 30 40 EJEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc(F)cc1 40139536 XXVMYMJOWRAFII-AWNIVKPZSA-N 333.362 4.696 30 40 EJEB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1SCCC#N 95953490 YZZNMOJBUNBRHC-CQSZACIVSA-N 342.489 4.812 30 40 EJEB CCOc1ccc(Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 96346055 DBHIOJJMYGKNKW-ZWKOTPCHSA-N 345.402 4.960 30 40 EJEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101474801 VGUUXTQDEISKCQ-UHFFFAOYSA-N 338.169 4.646 30 40 EJEB O=[N+]([O-])c1ccc(/N=C(/C#Cc2ccccc2)c2ccccc2)cc1 103607503 NCQLOYZDYOQBAX-DQRAZIAOSA-N 326.355 4.767 30 40 EJEB CC(=O)C(=N\Nc1ccc(Cl)cc1)/C(C)=N\c1ccc(C)cc1 104317937 BDUQGXQYUZUWHE-WNHKBHSWSA-N 327.815 4.798 30 40 EJEB Cc1ccc(NC(=O)Nc2nc(SC#CC(C)(C)C)ns2)cc1 4984731 ZMNOUKWMPTUIAV-UHFFFAOYSA-N 346.481 4.590 30 40 EJEB COc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc(OC)c1 59270043 DFJWGSAHTKFGHI-BQYQJAHWSA-N 345.464 4.662 30 40 EJEB C/C=C\[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97949864 RYUIEKVXZQICBY-BLDZNJJUSA-N 326.105 4.598 30 40 EJEB C/C(N[C@@H](C)[C@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749048 FTBDZFXCBOAPHD-KPPJZBSQSA-N 327.512 4.556 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 216889249 LDGOJSHQDCWKNR-VQHVLOKHSA-N 346.785 4.801 30 40 EJEB Cc1cc(C)c(OCC(=O)n2cc(C#N)c3ccccc32)c(Cl)c1 226362200 IWUMNYGGPPBWRR-UHFFFAOYSA-N 338.794 4.502 30 40 EJEB CC(C)c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O 408848675 RUFXANAYEYCZML-JAIQZWGSSA-N 341.411 4.993 30 40 EJEB C=CCn1c(C)[n+](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 3251878 JMJUWRNWSCCABJ-UHFFFAOYSA-N 347.482 4.604 30 40 EJEB CC(C)CCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 6537186 IHSWPHQRUPTUGY-LFYBBSHMSA-N 339.391 4.916 30 40 EJEB C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1 46085374 OTMHKBZAINGMSK-OEAKJJBVSA-N 328.375 4.726 30 40 EJEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S 253497845 OXZJZRQUDLKMGF-NEBPEERISA-N 347.572 4.608 30 40 EJEB O=[N+]([O-])c1cc(N=Cc2c(O)ccc3ccccc23)ccc1Cl 254307248 FGFHERPSWDBIPZ-UHFFFAOYSA-N 326.739 4.858 30 40 EJEB C=CCN(C(=O)/C=C/c1nc2ccccc2o1)[C@@H]1CCc2ccccc21 40134034 OOQSRHWZLMFPKI-JKIKYLSZSA-N 344.414 4.543 30 40 EJEB CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 40151626 MWQQXWSBLWEUSK-CYBMUJFWSA-N 327.815 4.827 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(C(C)=O)c2)cc1 51318533 BEXVUHWEYWIZNV-OUKQBFOZSA-N 337.419 4.877 30 40 EJEB CC[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1 98086567 ZEQNPDLQVGVNHR-AWEZNQCLSA-N 335.382 4.958 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)c1 225485518 KKWMZLQLWMRJQR-IBGZPJMESA-N 340.492 4.998 30 40 EJEB C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 408575786 RBGVMBNGBHQVPL-UHFFFAOYSA-N 347.867 4.777 30 40 EJEB CSC1=N[C@@H](c2ccccc2)C(C(C)=O)=C(C)N1c1ccccc1 408729582 CNCPIJAHBMEALR-IBGZPJMESA-N 336.460 4.830 30 40 EJEB Cc1c(/C=N\c2ccc(Br)cc2)c2ccccc2n1C 408851735 FPARVEWKEYXFRU-ODLFYWEKSA-N 327.225 5.000 30 40 EJEB Cc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1C 409214673 ZPXFQMPJIMKHJX-OEAKJJBVSA-N 345.446 4.856 30 40 EJEB C/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl 8156636 RYRYVAGYAXWNMO-JMIUGGIZSA-N 330.218 4.895 30 40 EJEB Cc1ccc(F)cc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 8848554 PJKUCADTODMRKN-UHFFFAOYSA-N 329.374 4.786 30 40 EJEB CN(Cc1ccccc1NC(=O)c1cccc(C#N)c1)C1CCCCC1 24976541 BNWBWDZYXVTUDG-UHFFFAOYSA-N 347.462 4.575 30 40 EJEB C=CCc1ccccc1OCc1nc2cc(Br)ccc2[nH]1 33327166 LDGGRBVTAMMOLU-UHFFFAOYSA-N 343.224 4.633 30 40 EJEB COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OC(F)F 33420895 RSJCABGEVJPGJW-UVTDQMKNSA-N 330.330 4.509 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 216885721 IYMLOZNFUPDTGU-PKNBQFBNSA-N 328.795 4.661 30 40 EJEB CCOC(=O)c1cccc(/N=C\c2ccc(N3CCCC3)cc2C)c1 408959894 HQOXKPZOVFGWCB-JCMHNJIXSA-N 336.435 4.523 30 40 EJEB Cc1ccc(/N=C\c2cccn2-c2cccc(C(=O)O)c2)cc1Cl 409084265 CISWXSNSZAQZEZ-MTJSOVHGSA-N 338.794 4.888 30 40 EJEB CCSC(=Nc1nc2ccc([N+](=O)[O-])cc2s1)SCC 1573751 VFKGBAIGNUOULF-UHFFFAOYSA-N 327.456 4.698 30 40 EJEB N/C(=N\c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 6321464 YVIRBKVHDITBNP-UHFFFAOYSA-N 332.247 4.761 30 40 EJEB N#Cc1ccccc1CSc1nnc(Nc2ccccc2F)s1 6788669 JBILFUDNPAIFMO-UHFFFAOYSA-N 342.424 4.585 30 40 EJEB Cc1ccc2c(CC(=O)Nc3ccc(C#N)c(Cl)c3)coc2c1C 6851833 MZXFOKBBZYMLFM-UHFFFAOYSA-N 338.794 4.756 30 40 EJEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 7017121 VWQAUXGYSPCPSA-BMIGLBTASA-N 345.295 4.528 30 40 EJEB C#CCOc1ccc(/C=N/c2ccc(C)cc2)cc1Br 8371850 PWDKAHBCYDVOBE-XDHOZWIPSA-N 328.209 4.520 30 40 EJEB CC(C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Cl 408596354 RSBPYWPNNZWJLP-SRZZPIQSSA-N 328.799 4.550 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C#N)C1 259146 VDSSECVKYZWMNM-BIPYJSMBSA-N 340.423 4.536 30 40 EJEB O=[N+]([O-])c1ccc(/N=C/c2c[nH]c3ccccc23)c(Br)c1 4713988 VILPLRSAEPGOSN-GIJQJNRQSA-N 344.168 4.589 30 40 EJEB N#C[C@@H]1c2ccccc2O[C@H](c2ccccc2O)N1c1ccccc1 5495444 NGSLQPUXZJMKEY-WIYYLYMNSA-N 328.371 4.555 30 40 EJEB N#CCOc1ccccc1/C=N/N(c1ccccc1)c1ccccc1 43776433 SCCIFJXUUYZAAF-HAVVHWLPSA-N 327.387 4.761 30 40 EJEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCc1cccs1 96346301 IUVGKBHFCLEIHK-HZPDHXFCSA-N 335.432 4.533 30 40 EJEB Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N\O)CC(C)(C)C2 100931430 MAHCTIXFSPZEMA-BKUYFWCQSA-N 346.814 4.644 30 40 EJEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1OC 222946929 JOORWGKEIVVZFP-INIZCTEOSA-N 349.474 4.794 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N/c1cccc(Cl)c1C 409072697 KMYXQDLUVCPPJD-FYJGNVAPSA-N 328.843 4.544 30 40 EJEB CN(C(=O)c1ccccc1C1=Cc2ccccc2C1=O)c1ccccc1 4266327 PZIJFBSIJDJQAT-UHFFFAOYSA-N 339.394 4.700 30 40 EJEB biogenic C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccs3)c12 23909237 WKXMFTOAOUJTQB-ZHACJKMWSA-N 347.443 4.741 30 40 EJEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2s1 28294084 ZIPFIPSTZVHWQB-CMDGGOBGSA-N 342.401 4.537 30 40 EJEB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225843825 NRXRLFUCOJXXJH-QRWLVFNGSA-N 346.471 4.659 30 40 EJEB CC(C)COc1ccc(/C=N/Nc2ccc(Br)cc2)cc1 408604118 SPCJRKUDTRAFIW-YBFXNURJSA-N 347.256 4.930 30 40 EJEB O=C(c1ccc(F)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 575357661 VQBISTFNJNWVTO-UHFFFAOYSA-N 342.185 4.995 30 40 EJEB C=CCc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 151318 JXDNTYQEFJDESA-UHFFFAOYSA-N 336.218 4.739 30 40 EJEB FC(F)(F)c1cccc(N/N=C/c2ccc(Br)cc2)c1 4925313 PMNACFVNGQDOSO-DJKKODMXSA-N 343.146 4.914 30 40 EJEB Cc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(C)c1O 13140797 MMXQDZPURJMIEZ-VOTSOKGWSA-N 331.209 4.668 30 40 EJEB COc1ccc(/N=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 22247798 JLDIEUXAGMIJGY-MRCUWXFGSA-N 330.343 4.753 30 40 EJEB CSc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 51318607 ROLVQVDCGAZACQ-ZHACJKMWSA-N 348.265 4.980 30 40 EJEB O=C(Nc1ccccc1)C(=N/Nc1ccccc1)/N=N/c1ccccc1 104038086 ZMMDZQUCKKVTPX-DYBOKRGISA-N 343.390 4.835 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1 222989062 PUBQSSYNHJMRGZ-FQEVSTJZSA-N 339.435 4.664 30 40 EJEB N#Cc1cn(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc12 226361392 DAWJDWNJRGWQGH-UHFFFAOYSA-N 336.394 4.985 30 40 EJEB CC[C@H](C)Oc1ccccc1/C=N/Nc1nc2ccccc2s1 408604262 UPCUIQBHXXYCOB-HCZVKUGISA-N 325.437 4.920 30 40 EJEB CC(C)n1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 408932236 VARQRZPJJZYPAF-HZHRSRAPSA-N 347.462 4.809 30 40 EJEB N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCC2 4174163 HMGNHPMJCZTRGL-UHFFFAOYSA-N 343.260 4.729 30 40 EJEB Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C\c3ccco3)cc2)c1 4832654 VXTQMPIZUMQZOU-QXMHVHEDSA-N 331.371 4.736 30 40 EJEB C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)O 38542048 HPQKNJHVWUWAOR-UIGPTYSNSA-N 336.472 4.741 30 40 EJEB biogenic,in-vitro C#CCOc1c(Cl)cc(CNc2cccc(C)c2)cc1OCC 409115189 JEPSFDZNDGOOLG-UHFFFAOYSA-N 329.827 4.671 30 40 EJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)c3ccccc3)nc2c1 412231 UAUNWXHLMTVXSC-UHFFFAOYSA-N 332.428 4.698 30 40 EJEB CN(C)c1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 18191886 MGFJXWXZOGVARQ-OEAKJJBVSA-N 326.399 4.715 30 40 EJEB CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12O[C@@H]1[C@H](O)C(C)=CC2=O 100064851 DKOXVDVXOYHFHV-LZSPVNHTSA-N 344.495 4.823 30 40 EJEB biogenic O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 408811020 KGGLWJOLVJEWEX-UNOMPAQXSA-N 325.755 4.790 30 40 EJEB CCC1([C@@](O)(C#CCN2CCCCCC2)c2ccccc2)CCCC1 1767744 TZPYZVAVKFJQAT-HSZRJFAPSA-N 339.523 4.724 30 40 EJEB CCO[P@](=O)(CCCCCCC#N)Oc1ccc([N+](=O)[O-])cc1 2035884 KDHVTGOONRWTGV-HSZRJFAPSA-N 340.316 4.677 30 40 EJEB COc1cc(/N=C/C=C/c2ccccc2)ccc1NC(=O)c1ccco1 2053732 LVVINWDEQSMEHS-LQUQISKOSA-N 346.386 4.956 30 40 EJEB C=C1C[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 4727030 PNUPHAWFSSBOAI-RLZRBERESA-N 342.479 4.616 30 40 EJEB CN(c1ccccc1)c1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc1 4869436 KRQMGJIZDRBDBM-RCCKNPSSSA-N 346.390 4.809 30 40 EJEB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=N/Nc1ccccc1 6890327 KARZRQZIGVCJFN-GFMRDNFCSA-N 340.382 4.719 30 40 EJEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(C)cc3)c3cc(C)cc1c32 14671495 WSWZUMJEYGWPBF-FCDQGJHFSA-N 330.431 4.966 30 40 EJEB COc1ccc(Br)cc1/C=N\c1sc(C)c(C)c1C#N 17201393 SSTMGBKZPNZSKG-LSCVHKIXSA-N 349.253 4.758 30 40 EJEB CNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33026970 NCSFUXFNAJWQDF-UHFFFAOYSA-N 345.358 4.580 30 40 EJEB CN1C(=O)/C(=C\C(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21 55104064 SFDBYZRTIVVFIJ-HKWRFOASSA-N 345.442 4.977 30 40 EJEB C[C@H]1CCCCN1Cc1ccccc1CNc1ccc(C#N)cc1F 72073048 NOVPQPXLTQFZHM-INIZCTEOSA-N 337.442 4.684 30 40 EJEB C#Cc1c(C)nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 685937169 CBCCCILTNKMJJD-UHFFFAOYSA-N 346.274 4.567 30 40 EJEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccccc3)n2)c(C)c1 4523591 SFDBAKXDDLYJTR-HAVVHWLPSA-N 332.432 4.767 30 40 EJEB COc1cccc2cc(C(=O)/C=C/c3ccc(OC(F)F)cc3)oc12 7716034 ASMOGFXVWXJGBJ-JXMROGBWSA-N 344.313 4.939 30 40 EJEB CCOc1ccc2ccccc2c1/C=N\Nc1nc2ccccc2[nH]1 12412342 UARPDTTYJTUWTI-BKUYFWCQSA-N 330.391 4.561 30 40 EJEB COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C 22061785 VTSFDGSDUILKPM-XPSLGPGOSA-N 328.452 4.870 30 40 EJEB in-vitro Cc1cc(/N=C/c2ccc(-n3ccnc3)cc2)ccc1Br 100101042 ZVYXDWKHRJEOFF-RGVLZGJSSA-N 340.224 4.694 30 40 EJEB COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 95962 ILERONFTKYUXOY-DJKKODMXSA-N 340.206 4.770 30 40 EJEB C=CCOc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 4959434 SHVMYTQKYXOYAT-WAOWUJCRSA-N 347.414 4.776 30 40 EJEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1c(Cl)cccc1Cl 5556966 RIHNZTLQMVOPMT-ZROIWOOFSA-N 349.242 4.885 30 40 EJEB Cc1noc(C)c1/C=C1\SC(O)=N\C1=N/c1cccc(Cl)c1 72401860 JVBIWEHNIKELLJ-QPEQYQDCSA-N 333.800 4.677 30 40 EJEB CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 100235260 YNTFRULGEWHTKY-UHFFFAOYSA-N 339.476 4.685 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2cccc(C)c2)cc1OCC 409118214 NLPQLLVHCYFWNO-UHFFFAOYSA-N 335.447 4.746 30 40 EJEB O=C1C=C(c2ccc(Br)cc2)C[C@H](c2ccccc2)C1 1469185 KQFNBFDHOBXGFI-HNNXBMFYSA-N 327.221 4.979 30 40 EJEB CCOC(=O)c1ccccc1N/C(C)=C/C(=O)c1ccc(Cl)cc1 32100533 SRDFLOYVDZZDPG-OUKQBFOZSA-N 343.810 4.715 30 40 EJEB C1=C(NCc2cccs2)c2ccccc2/C1=N/Cc1cccs1 100470223 QXJSPJGHPVBPON-XUTLUUPISA-N 336.485 4.943 30 40 EJEB Cc1ccccc1/N=C(\c1ccccc1)C1C(=O)c2ccccc2C1=O 102180801 ZCLPAQYHDXAQFS-DARPEHSRSA-N 339.394 4.811 30 40 EJEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 298272 YPNLGSYRERRWRC-SNVBAGLBSA-N 330.840 4.650 30 40 EJEB C=CCN(C(=O)c1ccc(CSC)cc1)[C@@H]1CCc2ccccc21 32915473 OOTDUXVMFAVOMT-HXUWFJFHSA-N 337.488 4.865 30 40 EJEB Cc1cc(NCCC2=CCCCC2)n2c(nc3ccccc32)c1C#N 47163392 VLUAZYZFGVPNJT-UHFFFAOYSA-N 330.435 4.970 30 40 EJEB CCCCCCCCCCCc1nnc(S)n1C[C@@H]1CCCO1 97941858 PBOHETZHRDKLRK-INIZCTEOSA-N 339.549 4.819 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 222988935 MKHLKPJEGRMFCP-FQEVSTJZSA-N 339.435 4.664 30 40 EJEB COc1ccc(-n2cccc2/C=N/c2ccc(OC)c(Cl)c2)cc1 408951858 KIDMIPQKYFEOKH-FYJGNVAPSA-N 340.810 4.899 30 40 EJEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 552610 AHESLJGETLYVKM-UHFFFAOYSA-N 344.462 4.632 30 40 EJEB N#Cc1c(/N=C/c2ccc(Cl)cc2)sc2c1C1CCN2CC1 562668 QLCJQRGJTXOKTG-KEBDBYFISA-N 327.840 4.721 30 40 EJEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1ccccc1 3173164 REHUPAQDLIEZJW-GOSISDBHSA-N 345.442 4.850 30 40 EJEB O=C(O)c1ccc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cc1 12608035 LFTBQYUMIGRQKW-VGOFMYFVSA-N 349.430 4.661 30 40 EJEB COc1ccc2cc(/C=C/C(=O)c3cccc(F)c3)c(Cl)nc2c1 95115984 ZHANJZPYJQLBQS-SOFGYWHQSA-N 341.769 4.932 30 40 EJEB N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1cccc(F)c1 225881962 MCMHDTIURCLKCG-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB CC(C)n1c(S[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl 7058863 ZKUYNVJURIWEJR-VIFPVBQESA-N 341.267 4.837 30 40 EJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(C)cc3)sc1CC2 408723161 QYBZTYUILYZZON-CIAFOILYSA-N 334.444 4.976 30 40 EJEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1\Cc2ccccc2C1=O 7742140 KPTDXLPSFPLTCS-SFQUDFHCSA-N 348.833 4.716 30 40 EJEB N#Cc1cccc(NC(=O)c2ccc(CSc3ccccc3)o2)c1 30619042 KBWYKFQRPNRZQI-UHFFFAOYSA-N 334.400 4.696 30 40 EJEB C=CCn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409113177 GZINVHYCSKYPFN-AUEPDCJTSA-N 344.340 4.687 30 40 EJEB CCCCn1c(/C=N/Nc2nc3ccccc3s2)nc2ccccc21 4115905 QGGKMSDADZBGQA-DEDYPNTBSA-N 349.463 4.892 30 40 EJEB CN1/C(=C\C(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21 18130246 SDNRKWUNLROQBM-UNOMPAQXSA-N 341.838 4.599 30 40 EJEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nnc(C3CC3)s2)c1 28250410 LCCJASLCLAMKJV-UHFFFAOYSA-N 342.468 4.505 30 40 EJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1nc2ccccc2s1 44026068 CGCCADOSJIFQER-CMDGGOBGSA-N 349.440 4.711 30 40 EJEB COc1cc(/C=N\O)cc(Cl)c1OCc1cccc2ccccc12 100250246 QRTXYVLSSIMLJQ-NHDPSOOVSA-N 341.794 4.889 30 40 EJEB CCCCCCCCCCc1c(C)nc(N2CCCCC2)[nH]c1=O 102241487 WSIJUPQBUWMSTD-UHFFFAOYSA-N 333.520 4.752 30 40 EJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(F)cc3)sc1CC2 408723237 RRRZJDOCLXBGRL-SRZZPIQSSA-N 338.407 4.807 30 40 EJEB CCCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1 409008601 YNKZQJGKDLJJEY-STZFKDTASA-N 349.390 4.983 30 40 EJEB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C(=N/Nc1ccccc1)C(F)(F)F 5426111 DMGQWPFEZYBJLJ-RVFWHNAVSA-N 338.373 4.658 30 40 EJEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)c1 225885370 VBBACJVRSFUUAQ-UHFFFAOYSA-N 335.382 4.539 30 40 EJEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(F)cc1 408738103 NVYPYZQCXYNIHV-WSDLNYQXSA-N 336.366 4.682 30 40 EJEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(C(C)(C)C)cc1 7606217 WWZXFLHHSODGLG-KUHUBIRLSA-N 332.513 4.519 30 40 EJEB CN(C)c1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1 12650941 DQTIESPTNSQEGU-UXBLZVDNSA-N 348.215 4.550 30 40 EJEB N#CCCN(c1ccc(Br)cc1F)C1CCCCC1 95915694 UQGOGPGHGVHBSO-UHFFFAOYSA-N 325.225 4.641 30 40 EJEB C=CCn1c(-c2ccccc2)csc1=Nc1ccc(NC(C)=O)cc1 582467910 LSNXJTWBQSRGAO-UHFFFAOYSA-N 349.459 4.593 30 40 EJEB Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 63768 HECWVXVNBSXDQB-WSDLNYQXSA-N 334.341 4.762 30 40 EJEB COc1ccc(-n2cnc3cc(/N=C/c4cccs4)ccc32)cc1 522861 RPPNKAGUDXEKLF-UDWIEESQSA-N 333.416 4.846 30 40 EJEB C=CCSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 2066433 NCBBWBGBFVDBJB-SNVBAGLBSA-N 333.526 4.703 30 40 EJEB CCn1nccc1C(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 6490116 VGRJPLQSOJVHTG-VQHVLOKHSA-N 326.783 4.713 30 40 EJEB C=C(C)COc1cccc(C(=O)Nc2ccccc2Br)c1 8570605 GVVBQFNJYCQYHS-UHFFFAOYSA-N 346.224 4.656 30 40 EJEB C=CCc1cccc(/C=N/c2ccc3nc(C(F)(F)F)[nH]c3c2)c1O 13281258 YJVAWHILBNZKJH-LSHDLFTRSA-N 345.324 4.766 30 40 EJEB O/N=C(/CCCCC/C(=N\O)c1ccc(F)cc1)c1ccc(F)cc1 13764168 BPTXERYOMRDLST-URMAKSPSSA-N 346.377 4.972 30 40 EJEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(-c3ccccc3)ccc1O2 40545926 NBULCMKBRVZTCL-OAQYLSRUSA-N 333.387 4.651 30 40 EJEB COc1ccc(-n2cccc2/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)cc1 408856656 KZFFWFDPWRSSNF-BKUYFWCQSA-N 349.390 4.762 30 40 EJEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc(C)cc3C)c2C)cc1 408997024 QGWLPTCOZDUYET-XKZIYDEJSA-N 332.451 4.860 30 40 EJEB Cc1ccccc1-n1cccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409064264 CXCKVTRKMCDLPC-FSJBWODESA-N 344.340 4.646 30 40 EJEB COc1cc2c(cc1/C=N\c1ccc(-c3ccccc3)cc1)OCO2 409098412 LIHDWCDCELJWRI-XKZIYDEJSA-N 331.371 4.842 30 40 EJEB O=C1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 540609 RAOINHTZOICECU-IBGZPJMESA-N 334.350 4.903 30 40 EJEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccccc1 4072784 VDWMFAALTYCWIK-HNENSFHCSA-N 337.404 4.543 30 40 EJEB N#Cc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 5185717 KHOCJORLQDEBGK-UHFFFAOYSA-N 339.398 4.535 30 40 EJEB N#Cc1ccccc1CN1CCc2sccc2[C@H]1c1cccs1 22064162 CZEUNSAKBRGIGG-IBGZPJMESA-N 336.485 4.829 30 40 EJEB COc1ccc2c(c1)CCC/C2=N/OCc1cc(-c2ccccc2)no1 83970471 POIIFVGNOHHBPT-XDOYNYLZSA-N 348.402 4.607 30 40 EJEB CC(C)N1C(=O)/C(=N/Nc2cc(Cl)ccc2Cl)c2ccccc21 100322664 MIBRJIMEQOEQSB-LTGZKZEYSA-N 348.233 4.565 30 40 EJEB CCOC(=O)c1ccccc1N/C=C1\C[C@@H](C(C)(C)CC)CCC1=O 408563460 MITRUPGYCKYJGF-IYOXOMEYSA-N 343.467 4.965 30 40 EJEB Cc1cc(C)c(C#N)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 1425968 HUFVTNYUOWEQHT-UHFFFAOYSA-N 334.350 4.827 30 40 EJEB N#Cc1ccccc1COc1ccc(C(=O)c2ccc(F)cc2)cc1 3365808 ZAQZWBCGGXSRSB-UHFFFAOYSA-N 331.346 4.507 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)c(OC)c1 4363529 OTELYLKBYAVJEK-JXMROGBWSA-N 336.309 4.619 30 40 EJEB CCc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1 4672962 ROIFGALLFCIIFD-MDZDMXLPSA-N 348.215 4.959 30 40 EJEB COc1cc(/C=C/c2nc3cc(C)ccc3s2)ccc1OCC#N 7716577 LMEXVXCXVYIUND-VMPITWQZSA-N 336.416 4.686 30 40 EJEB CCCOc1ccc(-c2nnc(/N=C(\O)c3cccs3)s2)cc1 8742815 XEQNJPHIRAYBSU-UHFFFAOYSA-N 345.449 4.692 30 40 EJEB Cc1sc(NC(=O)c2ccc(SC(F)F)cc2)c(C#N)c1C 10392382 RPRWPYCLNFGTLW-UHFFFAOYSA-N 338.404 4.804 30 40 EJEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1O 13122858 DZWYDBZWEAYRBS-AWQFTUOYSA-N 328.721 4.901 30 40 EJEB CC[C@H](C)Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19794130 YZMXUTBKUFMDPB-JTQLQIEISA-N 332.860 4.601 30 40 EJEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 20762452 ODVNEOGKRNNQBJ-BUVRLJJBSA-N 347.462 4.535 30 40 EJEB Oc1ccc2ccccc2c1/C=N/N=C1\C[C@H](c2ccccc2)N=N1 24543267 UWFRVXQVAIHVLF-XVIQTJBWSA-N 328.375 4.875 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C 34361855 HMPWCNANWMGWIQ-YWVIAJDESA-N 345.483 4.711 30 40 EJEB CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 51318656 XJGBZBPGOSKCHV-BUHFOSPRSA-N 337.419 4.795 30 40 EJEB N#C/C(=N\Nc1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 108241737 ALEZMUOAQVUSOD-YDZHTSKRSA-N 346.337 4.655 30 40 EJEB O=C(COc1ccc(/C=N\c2ccccc2)cc1)Nc1ccc(F)cc1 408816910 ZIGJJBWPMJWQFJ-UCQKPKSFSA-N 348.377 4.594 30 40 EJEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1 409160201 TUOQMSVPMZCORE-BXWFABGCSA-N 338.357 4.694 30 40 EJEB N#Cc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 95863 DGHMJEOQHUMGAP-UHFFFAOYSA-N 325.415 4.584 30 40 EJEB Cc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 1079477 GCELNNYHNLMJAW-GOSISDBHSA-N 349.405 4.662 30 40 EJEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 4535951 KEBPOUMCRXRPCR-CAOOACKPSA-N 329.303 4.511 30 40 EJEB O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1cccnc1 7739853 PRPQWJAYCBMPCF-VQHVLOKHSA-N 332.384 4.847 30 40 EJEB O=C(/C=C/c1nc2ccccc2n1Cc1ccccc1)c1ccccc1 26462583 FRPXBJFXCJOSAB-FOCLMDBBSA-N 338.410 4.981 30 40 EJEB C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1 34190033 MKVLRDJGMWBXKW-UHFFFAOYSA-N 349.430 4.740 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225708082 LFQDIOHWBKRZEN-INIZCTEOSA-N 340.492 4.916 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Br)cc1 408692082 CZNZMQVAXCEWCQ-VQHVLOKHSA-N 346.180 4.562 30 40 EJEB CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12 1642071 XIHAUUSLMVOQKO-UHFFFAOYSA-N 348.427 4.921 30 40 EJEB Cc1ccc(C(=O)O/N=C/C2=C(Cl)c3ccccc3CC2)cc1 4091914 GFCVKSYILXHGEA-CIAFOILYSA-N 325.795 4.734 30 40 EJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Cl)cc(Cl)c1O 4119250 WYSDZTNSQRTYIC-REZTVBANSA-N 325.151 4.666 30 40 EJEB O=C(/C(=C\c1cccnc1)c1nc2ccccc2o1)c1ccccc1 16672999 OJCMTHCACYRILJ-GHRIWEEISA-N 326.355 4.646 30 40 EJEB Cc1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1C 408594125 SJXUHBQUIRGURF-FYJGNVAPSA-N 349.390 4.553 30 40 EJEB O=C1CCCC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12 101308 JJTHTXHIRXGBTR-FQEVSTJZSA-N 332.428 4.970 30 40 EJEB CCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 3107189 PYXABCLHECYWLF-UHFFFAOYSA-N 339.483 4.916 30 40 EJEB Cc1nc2ccccc2n1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F 13229938 VLPZEKAOGZLXLG-UHFFFAOYSA-N 348.221 4.909 30 40 EJEB Cc1noc2c1[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 21660296 CEPYRKHJFMICQJ-INIZCTEOSA-N 342.826 4.837 30 40 EJEB C=CCc1cc(/C=N/c2ccc3ncccc3c2)cc(OCC)c1O 59248357 VAJZHFPTOUQWHK-OEAKJJBVSA-N 332.403 4.818 30 40 EJEB C=CCOc1cc2c(cc1[C@H](C)c1ccc(OCC)c(C)c1)OCO2 1587081 OWAAFELUJIQZCU-OAHLLOKOSA-N 340.419 4.839 30 40 EJEB C=CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2210229 CPJQHPGXIUXTLL-UHFFFAOYSA-N 338.480 4.525 30 40 EJEB CCCOc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10119079 HZGADMUYCXMKIK-HYARGMPZSA-N 346.858 4.651 30 40 EJEB CCOc1ccc(OCC)c(N/C=C/C(=O)c2ccc(C)c(C)c2)c1 44843922 OEEHMTHTCVRSJG-VAWYXSNFSA-N 339.435 4.909 30 40 EJEB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@@H]3CC[C@]12C 245219482 PGAUJQOPTMSERF-BKTATZPRSA-N 344.495 4.696 30 40 EJEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccc(Cl)cc1Cl 3190022 FCDCOBDXHPEONB-NSHDSACASA-N 339.218 4.667 30 40 EJEB CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(F)cc1 4893249 WKZWSGQEYRUOBI-CIAFOILYSA-N 340.427 4.743 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 30849987 YUTCFBKCKCWTBH-KRWDZBQOSA-N 339.435 4.583 30 40 EJEB Cc1nn(-c2ccccc2)c(/N=C/c2cccnc2)c1-c1ccccc1 100150482 CVAPEHVEDXTKHF-LFVJCYFKSA-N 338.414 4.993 30 40 EJEB Oc1ccccc1/C=N/c1ccc(C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1 103760118 BXNNSVSYOZRPCZ-CLWYYSOLSA-N 347.458 4.726 30 40 EJEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 196481509 BAVUSQAKFXVLIC-UHFFFAOYSA-N 337.202 4.915 30 40 EJEB Cc1ccc(C(=O)/C=C/Nc2ccccc2Br)cc1C 44844097 TVUDNVWFHQQJPY-MDZDMXLPSA-N 330.225 4.874 30 40 EJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(C(F)(F)F)c2)c1O 3148192 GMDPBQBHYKMCPH-FBCYGCLPSA-N 344.676 4.723 30 40 EJEB CCOc1ccc(NC(=S)N/N=C/c2cccc3ccccc23)cc1 3261767 AFZPGKMJCDKOFP-KGENOOAVSA-N 349.459 4.559 30 40 EJEB C(=N/Nc1ccc2ccccc2n1)\c1ccc(N2CCCCC2)s1 5636985 GCBHEYGRKCMGAG-XSFVSMFZSA-N 336.464 4.733 30 40 EJEB CC1(C)CC(=O)C=C(Nc2ccccc2C(=O)Nc2ccccc2)C1 8394325 WAYLQZFPMKIURB-UHFFFAOYSA-N 334.419 4.624 30 40 EJEB FC(F)(F)C(F)(F)Oc1cccc(OC(F)(F)C(F)(F)F)c1 68590862 UJHIDELKUNKVMU-UHFFFAOYSA-N 346.120 4.754 30 40 EJEB Cc1nn(-c2ccccc2)c(C)c1/C=N\Nc1nc2ccccc2s1 210599978 BWKLMJABDFTSGX-NDENLUEZSA-N 347.447 4.545 30 40 EJEB CCOc1cc2c(cc1/C=N/c1ccc(Cl)c(Cl)c1)OCO2 409094325 DCFUUDAMSMENOO-UFWORHAWSA-N 338.190 4.871 30 40 EJEB C=CCSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2224324 PVMIBSCKOXRXTR-UHFFFAOYSA-N 338.523 4.543 30 40 EJEB C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 3406312 ALXJYZYAUCDGIR-UHFFFAOYSA-N 345.427 4.515 30 40 EJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-])C2 5013990 FVARSWRSCSCKGL-LIRRHRJNSA-N 328.412 4.533 30 40 EJEB CC(=O)/C=C\c1ccccc1Oc1ccc(Br)cc1F 12351488 NULGMYYXDTUAJE-SREVYHEPSA-N 335.172 4.983 30 40 EJEB [O-]/[N+](=C\c1ccccc1Br)Cc1ccc2ccccc2c1 12961461 XMARNXWMOLOEBB-MOSHPQCFSA-N 340.220 4.732 30 40 EJEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCCCC1 32975360 ZZBKGAWQMYLHQY-UHFFFAOYSA-N 336.460 4.726 30 40 EJEB O=C1C=Cc2ccccc2/C1=C/Nc1ccc(OC(F)(F)F)cc1 100946483 WRAIRJSFOXWDPP-WJDWOHSUSA-N 331.293 4.634 30 40 EJEB Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4O)cc3O)nc2c1 101539405 PAQNFKFJXZNEMN-WSDLNYQXSA-N 344.370 4.965 30 40 EJEB C[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1cccc(C#N)c1 611109923 IMFUQMFEVLRAGV-OAHLLOKOSA-N 342.402 4.503 30 40 EJEB COc1c(Cl)cc(Cl)cc1/C=N/C1=NN(c2ccccc2)CC1 85573 OWXZUTOEMOGJFC-RGVLZGJSSA-N 348.233 4.645 30 40 EJEB CCCCCCN(CCC#N)c1ccc(Br)cc1F 95915689 NBCNWJMNFBNGMR-UHFFFAOYSA-N 327.241 4.889 30 40 EJEB CCCCCCCCCCCCCCCCN(CCO)CCO 100309784 MJWIPTSHMLSLFE-UHFFFAOYSA-N 329.569 4.754 30 40 EJEB CC(C)(C)/C(O)=C\C=N\c1ccc([N+](=O)[O-])cc1Br 100715279 FNJOCACZMFGLLM-DXLNJPRNSA-N 327.178 4.548 30 40 EJEB CCCC(=O)C1=C(NCc2ccccc2)C[C@@H](c2ccccc2)CC1=O 102174980 VPSVLRKVNJPNHL-LJQANCHMSA-N 347.458 4.546 30 40 EJEB O=C(O)c1ccc(COc2ccccc2/C=N\C2CCCCC2)cc1 408959662 CSMYPAJKTCLMSJ-HMAPJEAMSA-N 337.419 4.715 30 40 EJEB O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1O 409213380 UAPYJWFSTXMMQP-DEDYPNTBSA-N 334.331 4.843 30 40 EJEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2[C@@H](C)CC)c1O 5908038 NSHVFHDPWOAVBL-DZUMZMOTSA-N 342.395 4.963 30 40 EJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(C3CCCCC3)o2)cc1 6606979 BPIRKPYRNILOLF-INIZCTEOSA-N 327.453 4.653 30 40 EJEB Cc1ccc(/N=C(/NN(C)C)C(c2ccccc2)c2ccccc2)cc1 17284104 NUNYPKZPTMJQCD-UHFFFAOYSA-N 343.474 4.923 30 40 EJEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C 38167081 XZNGOEFIQGQWSR-LXPFHCMOSA-N 326.480 4.890 30 40 EJEB CCCCCCCCCCSCC(=O)OCC(=O)c1ccco1 59211799 ICSNAOUAUYAREQ-UHFFFAOYSA-N 340.485 4.879 30 40 EJEB O=C1C/C(=C/c2ccc3ccccc3c2)C(=O)c2cc(F)ccc2N1 96010311 PADQAEMVPMEFLI-YBEGLDIGSA-N 331.346 4.587 30 40 EJEB Clc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(Cl)c1 100249037 SMMMVONQLGGVFK-UDWIEESQSA-N 335.234 4.581 30 40 EJEB CCN(CC)c1ccc(/C=N\c2ccnc3ccc(OC)cc23)cc1 100680426 GNFCCVQPIQVHOX-HAHDFKILSA-N 333.435 4.840 30 40 EJEB Cc1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)c1 102934037 KTGPTXHTIVYAAV-XTQSDGFTSA-N 326.399 4.602 30 40 EJEB C#Cc1cccc(/N=C\c2cc(Cl)cc(Br)c2O)c1 104223727 OABJBZPYRGPIPZ-NVMNQCDNSA-N 334.600 4.540 30 40 EJEB CC(C)c1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 253616971 JBDLCESJJQMSJI-UHFFFAOYSA-N 328.485 4.620 30 40 EJEB C=CCc1ccc(Oc2ncnc3sc(C)c(C)c23)c(OC)c1 87619 ZYPLMCQOQNDVON-UHFFFAOYSA-N 326.421 4.838 30 40 EJEB N#Cc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 523630 KOKUNZULXZWZSB-UHFFFAOYSA-N 337.473 4.734 30 40 EJEB Cc1cc2ccccc2c[n+]1CC(=O)c1ccc(-c2ccccc2)cc1 1668168 WXQGXGYBHDFNNI-UHFFFAOYSA-N 338.430 4.986 30 40 EJEB O=C(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 2568746 BCBQUHNJLALFTN-VOTSOKGWSA-N 332.190 4.597 30 40 EJEB O=C(O/N=C/c1ccc(Cl)cc1Cl)C(Cl)=C(Cl)Cl 2577687 PDGNJBCDIVGNAX-AYSLTRBKSA-N 347.412 4.756 30 40 EJEB C#CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1 5380576 ARHUWEUEMPGHTO-UHFFFAOYSA-N 342.320 4.570 30 40 EJEB Cc1noc2c1[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 8548736 MJWMFWVUKXTLOR-MRXNPFEDSA-N 342.826 4.837 30 40 EJEB C=CCOc1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 22520718 GRRBSWTXXGWFPL-UHFFFAOYSA-N 333.387 4.666 30 40 EJEB COc1ccc(OC)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1 27552548 VYCOAGNCTSVFKT-QPJJXVBHSA-N 337.202 4.907 30 40 EJEB C=CCSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 409095858 IREQSOBQFQIOBS-UHFFFAOYSA-N 335.476 4.753 30 40 EJEB COc1ccccc1N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 479571 YPHQTERQIMBMOV-OAQYLSRUSA-N 344.414 4.951 30 40 EJEB C=C(C)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 2623027 GYJOYBRTSQCCRZ-UHFFFAOYSA-N 337.448 4.611 30 40 EJEB C=CCn1c(-c2cccc(OC)c2)cs/c1=N\c1ccc(C)cc1 4614631 RKLPLNXTQLKKDP-MRCUWXFGSA-N 336.460 4.952 30 40 EJEB N#Cc1cccnc1NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 24106892 BXROZHABQKPUFE-LJQANCHMSA-N 338.414 4.679 30 40 EJEB Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(CC#N)cc2)c1C 5320899 ZVQZZAXUKJEFGT-UHFFFAOYSA-N 338.476 4.717 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccccc2C)c1 225758778 LADYVDIRSUYIGY-LJQANCHMSA-N 340.492 4.998 30 40 EJEB N#Cc1c(-c2ccccc2)cn(Cc2ccc(Cl)cc2Cl)c1N 4040104 SWWKJMBDZVGDRC-UHFFFAOYSA-N 342.229 4.964 30 40 EJEB N#CCOc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O 5607488 POQMCCGZZIMWHA-UHFFFAOYSA-N 346.169 4.669 30 40 EJEB N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCCCC1 6881585 WJGBDGBJYAZOOX-UHFFFAOYSA-N 336.460 4.772 30 40 EJEB O=C(Nc1cccc(Cl)c1)[C@H]1CCC(=C/c2ccccc2)/C1=N/O 33479508 PKNSMTQWTNJRDQ-RUGNNSPHSA-N 340.810 4.602 30 40 EJEB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C#N)c1 225841177 RFWMGHGSDVOQHW-FQEVSTJZSA-N 346.471 4.517 30 40 EJEB Fc1ccc(N=Cc2nnn(-c3ccccc3)c2-c2ccccc2)cc1 254568007 YSCJVJUQCHGZGZ-UHFFFAOYSA-N 342.377 4.824 30 40 EJEB N#Cc1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2 320916 MLBUFUBEBRSKPP-MDZDMXLPSA-N 342.851 4.804 30 40 EJEB C=CCOc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1C 12138055 BBWMFUBYERWCBX-UHFFFAOYSA-N 345.826 4.539 30 40 EJEB C/C(=N\N=c1\[nH]c(-c2ccc(Cl)cc2)cs1)c1cccs1 13136594 ITWOPFOSIWSCID-VCHYOVAHSA-N 333.869 4.783 30 40 EJEB COc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2O)cc1 16226430 YONGVPUNQZEESN-NDENLUEZSA-N 326.783 4.596 30 40 EJEB CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CC[C@@H](C)C3)cc1 16609378 JLHHAYIIANOCFB-CQSZACIVSA-N 329.447 4.927 30 40 EJEB C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 58305652 JAJSDHKQCDICSC-CYBMUJFWSA-N 346.390 4.784 30 40 EJEB Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3cccc(F)c3C#N)n2)c1 75094650 CUYOKYBHVYWIAH-HXUWFJFHSA-N 346.409 4.737 30 40 EJEB CN1/C(=C\C(=O)c2cccc(Br)c2)Sc2ccccc21 103552273 VUVOBOIOZZBUQE-MHWRWJLKSA-N 346.249 4.715 30 40 EJEB O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)Sc2ccccc21 195758293 LZGFADVSTAVOMP-LDADJPATSA-N 348.383 4.715 30 40 EJEB Oc1ccccc1/C=N/c1ccc(-c2nc3ccccc3o2)c(O)c1 3118211 NDFCFBQYSTUGFF-CIAFOILYSA-N 330.343 4.657 30 40 EJEB CN(C)CC/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccccc1 5888793 IKAXHSHZARTANE-HEHNFIMWSA-N 336.266 4.761 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@]5(CO5)[C@@]4(C)CC[C@@H]32)C1 13382074 PQMPPACKUYBMIW-SJFWLOONSA-N 346.511 4.707 30 40 EJEB C[C@@H](c1nc2ccccc2s1)N(C)Cc1cn2ccccc2c1C#N 58434125 QCHFTTPXPYRVJD-AWEZNQCLSA-N 346.459 4.614 30 40 EJEB N/C(=N/Cc1ccco1)SCc1csc(C2CCCCC2)n1 84429585 PYEPWKQBRAFEFD-UHFFFAOYSA-N 335.498 4.532 30 40 EJEB Cc1nc(C#N)c(NCc2ccc(Oc3ccc(Cl)cc3)cc2)o1 96346500 BROLOTIVEQYFHF-UHFFFAOYSA-N 339.782 4.913 30 40 EJEB FC(F)(F)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083806296 FIHFTUIYJXUSJO-UHFFFAOYSA-N 332.084 4.586 30 40 EJEB C/C(=N\c1cccc(Br)c1)c1cc2ccccc2oc1=O 5371130 JEEYQSSFCCQOHH-YBFXNURJSA-N 342.192 4.696 30 40 EJEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccccc2)S1 8277653 GYVKMRAJUCWEIX-XNTDXEJSSA-N 328.824 4.540 30 40 EJEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)nc2)cc1OC 409388328 UAOUSAOPIVMYEO-XGTDKWECSA-N 348.830 4.680 30 40 EJEB COc1ccccc1/N=C/c1nc(-c2ccccc2)n2ccccc12 1236111 MPXSTIQBDCDOCH-PXLXIMEGSA-N 327.387 4.761 30 40 EJEB C=CCSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 2066432 NCBBWBGBFVDBJB-JTQLQIEISA-N 333.526 4.703 30 40 EJEB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 15029722 PKXUUXBVAUEILS-GFCCVEGCSA-N 330.840 4.525 30 40 EJEB O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1 33376634 DKYFASZJOIACKA-NTMALXAHSA-N 337.306 4.890 30 40 EJEB CCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1ccc(F)cc1 409241592 KAMRFFIWNHFSPS-QXBHNWBMSA-N 342.395 4.599 30 40 EJEB CC(C)c1ccc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)cc1 9287710 DKAPALJRAJXKFF-UHFFFAOYSA-N 346.430 4.575 30 40 EJEB CC1=CC(=O)[C@@]2(C)C(c3ccccc3)=C(Cc3ccccc3)N(C)[C@H]2C1 90373735 AYHWOFRGVYNNHK-URXFXBBRSA-N 343.470 4.880 30 40 EJEB C=CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1OCC 408533475 RDAGYSVHOCACRN-UHFFFAOYSA-N 325.408 4.519 30 40 EJEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1 408765704 ZOIQYSMRJOFVMF-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB CC(C)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 408905911 GGIUTSDSQVZGFW-CUNGHOPLSA-N 340.423 4.838 30 40 EJEB CCCCCCCCNC(=O)Nc1ccc2nc(C)c(C)nc2c1 408980109 UXWSYQSOGLUQOD-UHFFFAOYSA-N 328.460 4.729 30 40 EJEB C=CC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2049238282 BQXKIYVBCVCFAZ-ZDJYKZBGSA-N 332.528 4.697 30 40 EJEB CCC/C=N/N=c1/scc(-c2ccc(O)cc2)n1-c1ccccc1 4475472 UYEILIKLJKHLJB-BSSBVLFISA-N 337.448 4.598 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 4691929 SGQKAJDGWMDIOH-YJIAGASKSA-N 328.496 4.970 30 40 EJEB in-vitro N#CCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 12603392 CDMSFLOZXFKXNP-UHFFFAOYSA-N 327.387 4.682 30 40 EJEB Clc1cccc(Cl)c1/C=N\Nc1nc2c(s1)CCCC2 16755044 ZPGLNZNISPMFJJ-IUXPMGMMSA-N 326.252 4.775 30 40 EJEB Cc1csc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)n1 24829786 MJEHBKMCFHHZEF-UHFFFAOYSA-N 337.360 4.691 30 40 EJEB Cc1cc2nc(SCC#N)n(Cc3ccc(Cl)cc3)c2cc1C 33643669 WCWFORGAFGQLJD-UHFFFAOYSA-N 341.867 4.971 30 40 EJEB CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 40049497 KUDMXEDWTXCQKN-JOCHJYFZSA-N 340.426 4.614 30 40 EJEB O=C(/C=C/Nc1ccc(F)cc1F)c1cccc(Br)c1 409060624 VOSDBVOZHUQNCG-VOTSOKGWSA-N 338.151 4.536 30 40 EJEB CCOc1ccc(Cl)cc1/C=N/Nc1nc2ccccc2s1 409218938 LTOZIRYZMBHYFT-VCHYOVAHSA-N 331.828 4.794 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/C=C/c3ccccc3)S2)c(C)c1 5698135 TUDXRVTVHMCBNS-CVCOPPNTSA-N 334.444 4.751 30 40 EJEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2 5716733 ADCCWUFZQPMPOJ-AWNIVKPZSA-N 329.355 4.743 30 40 EJEB O=C(/C=C/c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 13954997 ZSCOPPVOKVWXIL-DTQAZKPQSA-N 327.383 4.835 30 40 EJEB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CC#N)cc1 44844954 IVRAPNNFJHQIAH-FQEVSTJZSA-N 344.414 4.702 30 40 EJEB C=C(C)COc1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 219786303 LRPRUEIDLBZGEQ-UHFFFAOYSA-N 343.854 4.658 30 40 EJEB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225820691 CZKZGLFZMSTAQZ-FOIQADDNSA-N 346.471 4.515 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC 409116958 MRUGBOPICOZSPU-UHFFFAOYSA-N 329.827 4.671 30 40 EJEB Cc1c(/N=C/c2cccn2-c2ccc(Cl)cc2)cccc1C(=O)O 562996 FPTZVMBHJNVNOV-CIAFOILYSA-N 338.794 4.888 30 40 EJEB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)Cc2ccccc21 6628081 NYKYGJUFWNLLKR-NTCAYCPXSA-N 331.327 4.677 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C 118913193 PGAUJQOPTMSERF-AWZNDACSSA-N 344.495 4.696 30 40 EJEB COc1ccc(N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 479568 OVFVHWVICVJGOX-QFIPXVFZSA-N 344.414 4.951 30 40 EJEB CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)c2c1CCCC2 5386443 XJXDUFIQCDIXIN-UHFFFAOYSA-N 348.475 4.563 30 40 EJEB O=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)Sc2ccccc21 5557402 LZGFADVSTAVOMP-PDGQHHTCSA-N 348.383 4.715 30 40 EJEB CCCCCNc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2 20057503 RZUFQVUFOQBDKW-UHFFFAOYSA-N 329.488 4.605 30 40 EJEB N#CC[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 79064620 LNPBFPWYXGAYIV-AWEZNQCLSA-N 334.206 4.770 30 40 EJEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccccc2F)c1 225885330 NOPJHPBDARFNER-UHFFFAOYSA-N 335.382 4.539 30 40 EJEB Sc1nnc(C2CCCCC2)n1N=C/C(Cl)=C/c1ccccc1 252429487 URVLMQHGANREAC-TWERBRQASA-N 346.887 4.728 30 40 EJEB CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 409251187 TYKMKFFNBRZMTA-FGVWYHQHSA-N 344.386 4.589 30 40 EJEB Cc1cc(/C=C/c2ccc(Br)cc2)c(C#N)c(=S)[nH]1 936519 IYQXKJLXAYRQED-GORDUTHDSA-N 331.238 4.857 30 40 EJEB COc1ccccc1NC(=O)O/N=C/c1ccc(C(C)(C)C)cc1 6585884 QKBRSJGNRCPUFI-DEDYPNTBSA-N 326.396 4.575 30 40 EJEB Cc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1[N+](=O)[O-] 15227148 HNWUGZZMPNERPJ-CIAFOILYSA-N 331.331 4.786 30 40 EJEB CCOC(C/N=C\c1ccc2c(c1)Sc1ccccc1O2)OCC 104138263 KKZSMHYDHQFAAR-NDENLUEZSA-N 343.448 4.762 30 40 EJEB C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 3861511 FRCNDHZJYALSFS-HOFZUOGSSA-N 328.496 4.539 30 40 EJEB C#CCOC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 73633991 URBNTPPSPKUSJG-UHFFFAOYSA-N 346.169 4.592 30 40 EJEB C#CCOC(=O)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226244423 BRPVWSWTXZIGSN-UHFFFAOYSA-N 329.566 4.697 30 40 EJEB N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(C(F)(F)F)cn1 3047570 VXIQWNXPOUHXCI-UHFFFAOYSA-N 349.259 4.537 30 40 EJEB C#CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1 7939570 VTULDYQVWPGPLJ-BUHFOSPRSA-N 342.394 4.757 30 40 EJEB CCC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 12860287 FMVOBCQQXATOIP-SFHVURJKSA-N 347.418 4.522 30 40 EJEB CC(=O)Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 1799255 HJBFPMXOCPUEJX-UHFFFAOYSA-N 335.244 4.528 30 40 EJEB Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 13689239 WEDSPTUXKVAVTR-INIZCTEOSA-N 342.826 4.837 30 40 EJEB COc1cc(Br)cc(/C=N\c2cccc(Cl)c2)c1O 100318834 ZFGDUQUWBSTUBM-IUXPMGMMSA-N 340.604 4.567 30 40 EJEB O=[N+]([O-])c1cccc(CO/N=C/c2cccc(Oc3ccccc3)c2)c1 408595200 VYXZVGWAHPETEM-KGENOOAVSA-N 348.358 4.938 30 40 EJEB COC(=O)c1ccc(C)c(/N=C/c2ccc(-c3cccc(F)c3)o2)c1 409014334 XJBAZMLJSKJZMQ-WSDLNYQXSA-N 337.350 4.931 30 40 EJEB COc1cc(/C=N/c2cccc3ccccc23)c([N+](=O)[O-])cc1OC 4705067 WFFLJMZPFAZCGJ-UDWIEESQSA-N 336.347 4.516 30 40 EJEB CCOc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)c(O)c1 4925087 KPZWJPADORYPEO-GIJQJNRQSA-N 325.195 4.544 30 40 EJEB Cc1ccc2c(c1)N[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 5218520 LESOCJNBYQDOGR-FQEVSTJZSA-N 333.435 4.612 30 40 EJEB FC(F)(F)c1cnc(N/N=C/c2cccc(Cl)c2)c(Cl)c1 6321522 IGHFXUPHKAVMPL-CGOBSMCZSA-N 334.128 4.853 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OC)cc2)cc1 44842945 AFTSRBFQFOXTSF-BUHFOSPRSA-N 325.408 4.683 30 40 EJEB C/C(=C/C(=O)c1ccc(C)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 100746495 TULKAGVGEUTIOV-XFXZXTDPSA-N 330.771 4.755 30 40 EJEB C=CCN(CC=C)C(=O)c1csc(Nc2cccc3ccccc23)n1 4688475 JSWSRALAMRKCJM-UHFFFAOYSA-N 349.459 4.854 30 40 EJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3cccs3)S2)cc1 5376759 CVROSMROYVFAMO-FOWTUZBSSA-N 342.489 4.982 30 40 EJEB C=CCSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 10437621 VBFBLTPTWJEYQO-UHFFFAOYSA-N 340.473 4.603 30 40 EJEB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N 225675831 WKOAVTZKPFKORM-UHFFFAOYSA-N 348.446 4.798 30 40 EJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1 408564383 ZUVDAQBCNUVTCL-QJPKHSJYSA-N 328.456 4.746 30 40 EJEB COc1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1 408591579 UYVXRULSGSSMEC-FSJBWODESA-N 347.418 4.935 30 40 EJEB CC(C)(C)[C@H]1CC[C@@H](CC2=C(O)c3ccccc3C(=O)C2=O)CC1 584567000 NEGDTWQGGLJCTL-OKILXGFUSA-N 326.436 4.964 30 40 EJEB Cc1cc(N[C@@H](C#N)c2ccc(-n3ccnc3)cc2)ccc1C(C)C 4025507 DACJNVAUUQQERU-NRFANRHFSA-N 330.435 4.981 30 40 EJEB Cc1nn(C(C)(C)C)c2c1[C@H](c1cccs1)C1=C(CCCC1=O)N2 4979914 IAOQGOMQXBOUED-KRWDZBQOSA-N 341.480 4.573 30 40 EJEB O=[N+]([O-])c1cccc(N/N=C/c2cccc(Oc3ccccc3)c2)c1 5785935 GYWKSGWSSHKUMV-XSFVSMFZSA-N 333.347 4.833 30 40 EJEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OC 6959098 AYUSBXLNVVWABP-WOJGMQOQSA-N 334.213 4.607 30 40 EJEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 11869118 WCAUOAVDNIWQOT-UNOMPAQXSA-N 333.387 4.503 30 40 EJEB biogenic C=CC[C@@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 27242217 OJCUFKWOJKXXPD-DHIUTWEWSA-N 335.491 4.720 30 40 EJEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1 40139545 WXTYFRZOHZZTGV-VGOFMYFVSA-N 345.398 4.565 30 40 EJEB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl 72302482 RKXRFNMAVDAXLN-WMZOPIPTSA-N 325.843 4.688 30 40 EJEB CC1=C(/C=C/[C@@](C)(O)CC#C[C@]2(C)C=COCCO2)C(C)(C)CCC1 95611847 FOOIMBDCRKVYBU-WMNQZJELSA-N 344.495 4.533 30 40 EJEB N#CCc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218097451 GGQJLHGDYHRVSH-HMMYKYKNSA-N 328.371 4.525 30 40 EJEB CC(=O)Nc1ccc(N/C=C/C(=O)c2cccc3ccccc23)cc1 532790 RSHBANHBERRFPB-BUHFOSPRSA-N 330.387 4.607 30 40 EJEB CCC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 12860278 FMVOBCQQXATOIP-GOSISDBHSA-N 347.418 4.522 30 40 EJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)cc1 100123570 MKPKASXZXPKWDK-HNNXBMFYSA-N 332.403 4.614 30 40 EJEB O=C(/C=C/Nc1ccc(Cl)cc1)c1ccc(OCCCF)cc1 100418653 AUBMFVYEKTYSKM-ZRDIBKRKSA-N 333.790 4.887 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\OC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 100867564 SFECAJQDNFQEIJ-OVJAURFUSA-N 345.483 4.517 30 40 EJEB N#CCOc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 409160289 TUOQMSVPMZCORE-GJYPPUQNSA-N 338.357 4.694 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1 9086606 VQAJJLWJTYWIAO-FYJGNVAPSA-N 342.358 4.889 30 40 EJEB N#Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 216910967 CEXWHUCYJKJGRO-UHFFFAOYSA-N 340.579 4.692 30 40 EJEB Oc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 409017021 VEKMCUSOSXGTED-UNOMPAQXSA-N 341.208 4.696 30 40 EJEB N#Cc1ccccc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409097240 HYCKWOUILBWDCZ-ODLFYWEKSA-N 344.395 4.904 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OC 409112748 COYCMSJLXXELRN-UHFFFAOYSA-N 329.827 4.535 30 40 EJEB C(=N/Cc1ccco1)\c1cn(-c2ccccc2)nc1-c1ccccc1 163910 HJVHJGHRNLDANQ-HYARGMPZSA-N 327.387 4.751 30 40 EJEB O=[N+]([O-])c1cc(O)cc(/C=N/c2c3ccccc3nc3ccccc23)c1 4117438 HWZLLAYWOPPYOT-CIAFOILYSA-N 343.342 4.752 30 40 EJEB COc1ccc(CSc2nc(C)cc(-c3cccnc3)c2C#N)cc1 4451187 COYWAPUFVONPLP-UHFFFAOYSA-N 347.443 4.625 30 40 EJEB N#Cc1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1 17156294 GJDMZQGNVZEBRQ-UHFFFAOYSA-N 342.171 4.752 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c1 20490394 RRZKBRJGFJMCFI-KRWDZBQOSA-N 345.826 4.701 30 40 EJEB O=[N+]([O-])c1cc(N=Cc2ccc3ccccc3c2O)ccc1Cl 260840584 IAWIAVHYVPSUPT-UHFFFAOYSA-N 326.739 4.858 30 40 EJEB O=C1CCCC2=C1[C@H]([C@@H]1CC=CCC1)Nc1ccc3ncccc3c12 128672 LERPWBLFAPTXOQ-PEBXRYMYSA-N 330.431 4.892 30 40 EJEB C[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2C1 4070050 ANLKTZXNULWNEE-SNVBAGLBSA-N 330.840 4.650 30 40 EJEB C[C@]12CN(C(=O)c3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@H]1CC[C@@]23C 101023524 DLKZOUFFUFJOFP-SZZJOZGLSA-N 349.261 4.538 30 40 EJEB N#C/C(=N/Nc1ccccc1Cl)c1nc(-c2ccccc2)cs1 4712317 BPLWLXXNNOAMMI-JCMHNJIXSA-N 338.823 4.803 30 40 EJEB COc1ccccc1NC1=C(c2ccccc2)C(=O)c2ccccc21 6793667 VYNRFOROLMZMIN-UHFFFAOYSA-N 327.383 4.872 30 40 EJEB C/C(=N\Nc1nc(-c2ccc(F)c(C)c2)cs1)c1ccccc1O 4387246 RQEZCHKXVBMNQD-CIAFOILYSA-N 341.411 4.799 30 40 EJEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc(C(C)(C)C)cc1 5867917 JBKVYZWJOIRNCZ-KGENOOAVSA-N 331.529 4.505 30 40 EJEB Cc1cc(C)cc([C@@H](C)/N=C\c2cc(Br)ccc2O)c1 104237675 SZIMQWAWDOGJCK-XTBHVRTMSA-N 332.241 4.952 30 40 EJEB N=C1S/C(=C\c2cccc3ccccc23)C(=O)[C@H]1c1nccs1 137644715 XKVKRJWQAYJOHA-PAOGCMMFSA-N 336.441 4.714 30 40 EJEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1 408738340 VLBZQQSTOUNBDA-SRZZPIQSSA-N 339.826 4.902 30 40 EJEB Cc1ccc(N=C2NC(=O)/C(=C/c3sccc3C)S2)cc1C 409000027 MFEAOQLGGPQIMY-DHDCSXOGSA-N 328.462 4.565 30 40 EJEB N#Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 1512012 MQONJXAKXKAXKH-UHFFFAOYSA-N 339.807 4.587 30 40 EJEB CCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1OCC 31623964 QYSSIZPNOXDIDG-UNOMPAQXSA-N 341.436 4.540 30 40 EJEB C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1ccncc1 96313916 BGUJQNMCNCWRCS-MFKUBSTISA-N 339.402 4.528 30 40 EJEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)cc1C 225885916 BGGYIERMBGPTLF-UHFFFAOYSA-N 335.382 4.539 30 40 EJEB CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1 254906165 QEORVDCGZONWCJ-UHFFFAOYSA-N 348.366 4.622 30 40 EJEB Cc1ccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2C)cc1 1415489 COJRSNUYMTZFMU-IJYYVMIVSA-N 341.867 4.650 30 40 EJEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3sccc3C)S2)cc1Cl 9323831 GGIAOENYZQGPEG-RIYZIHGNSA-N 348.880 4.910 30 40 EJEB O=C1/C(=C/c2ccc3c(c2)Cc2ccccc2-3)Oc2cc(O)ccc21 9340501 HYJUIVZOZPDYTP-FBHDLOMBSA-N 326.351 4.580 30 40 EJEB CC(C)c1nc(OCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13730785 HBBAWXRLPNACBY-UHFFFAOYSA-N 336.435 4.507 30 40 EJEB N#Cc1ccc(OCCSc2nc3cc(Cl)ccc3s2)cc1 15566222 QHDWNDXOKQHKEW-UHFFFAOYSA-N 346.864 4.992 30 40 EJEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3sccc3C)S2)cc1 16161375 DPOBPRJEXMVBOU-GDNBJRDFSA-N 328.462 4.511 30 40 EJEB Cc1ccc(C)c(NC(=S)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)c1 103207211 YSAWMXPHSGLCDZ-PWIMYCEHSA-N 327.497 4.568 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 6253627 VFWWGXPUKBEQSQ-NSHDSACASA-N 344.867 4.579 30 40 EJEB N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(F)c1 14258382 RZLZWSUOYFOXTK-UHFFFAOYSA-N 342.679 4.622 30 40 EJEB Cc1ccc(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c(C)c1 16031532 HXXGOMGHSYVZLX-PKNBQFBNSA-N 343.430 4.824 30 40 EJEB CCOc1ccc(/N=C/c2ccc(OC)c(Br)c2)cc1 103933832 HSNUTISTFKDIMD-WOJGMQOQSA-N 334.213 4.607 30 40 EJEB CCCCCCCCCCCCCCNC(=O)[C@H](C)OC(C)=O 104394548 RHIOEWRDQLPMFZ-KRWDZBQOSA-N 327.509 4.755 30 40 EJEB CSC1=N[C@H](c2ccccc2)C(C(C)=O)=C(C)N1c1ccccc1 408729583 CNCPIJAHBMEALR-LJQANCHMSA-N 336.460 4.830 30 40 EJEB CC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 59621 PLWYFIOOJNFHKW-HZHRSRAPSA-N 343.382 4.859 30 40 EJEB Cc1cc(N/N=C/c2ccccc2)c2cc(Br)ccc2n1 5249677 PQJWLPLWTMKZQZ-YBFXNURJSA-N 340.224 4.752 30 40 EJEB CCOP(=O)(N/C(=N\c1ccccc1)c1ccccc1)OCC 17124735 RGYJWNDOUUTCSC-UHFFFAOYSA-N 332.340 4.536 30 40 EJEB Cc1ccc(Cl)cc1N/C(=C\C(=O)C(F)(F)F)c1ccncc1 408738771 OCXJAQUFMHRLTN-ZROIWOOFSA-N 340.732 4.628 30 40 EJEB N#Cc1ncc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1 1391396 GWQKDVNWZWJTEQ-UHFFFAOYSA-N 332.203 4.783 30 40 EJEB C=CCC1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C 4176912 LLVHGGXMXPNCGC-GPHNJDIKSA-N 335.491 4.994 30 40 EJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1 105453382 YCKQCRAZKDUSNR-UHFFFAOYSA-N 346.515 4.971 30 40 EJEB O=C(Cc1ccccc1)C(Cc1ccccc1)=NNc1ccccc1 245241177 YOCVIESOCFYSJA-UHFFFAOYSA-N 328.415 4.509 30 40 EJEB C#CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OCC 408606530 IKHWGYYODGATBH-UHFFFAOYSA-N 333.790 4.502 30 40 EJEB CCOc1cc2c(cc1/C=N/c1cccc(Cl)c1Cl)OCO2 409109229 ZXZGLYOKICJMAI-UFWORHAWSA-N 338.190 4.871 30 40 EJEB Cc1ccccc1OCc1nc(C#N)c(N[C@H](C)c2ccccc2)o1 108137 NJJHGWZJVAZUIC-OAHLLOKOSA-N 333.391 4.607 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/c2c(-c3ccccc3)nc3ccccn23)cc1 502542 NRLNMWNJEGLKCJ-KGENOOAVSA-N 342.358 4.660 30 40 EJEB CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 9422731 ULAYTVTWUIGKMX-VIFPVBQESA-N 328.403 4.845 30 40 EJEB CC(=O)Nc1ccc(C)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 100010425 HGGQYWJHZUQETM-UFWORHAWSA-N 337.206 4.716 30 40 EJEB CCC(=O)N1c2ccccc2S[C@@H]1CC(=O)/C=C/c1ccccc1 2049251930 SOPORRLEXQEUNM-DRUFCSCSSA-N 337.444 4.534 30 40 EJEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 3191664 SNMIDLUKOAVOFX-UHFFFAOYSA-N 340.448 4.540 30 40 EJEB C/C(=N\Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(F)cc1 4713161 DUFNUMICUXYTML-FSJBWODESA-N 340.789 4.772 30 40 EJEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O 9481671 ILHQHCRJXQXPCX-JAIQZWGSSA-N 336.387 4.656 30 40 EJEB biogenic C=CCOc1ccc(CNc2ccccc2C)cc1Br 409109320 BPZNHQRLTBXJHX-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OCC 409110221 UMXINBLOFVQLPA-UHFFFAOYSA-N 343.854 4.980 30 40 EJEB Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1 1403804 LFAMYXOBWYPWMK-UHFFFAOYSA-N 334.400 4.534 30 40 EJEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 6048127 NENWTIMELVGFAW-ORCRQEGFSA-N 335.186 4.661 30 40 EJEB N#Cc1ccc(F)c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 11318183 GWGAYCWUGIVVCF-UHFFFAOYSA-N 345.786 4.693 30 40 EJEB C=CCSc1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40104102 PKPDGWZWZCYTGZ-LBPRGKRZSA-N 344.402 4.771 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc2ccccc2c1 100149990 GYANXLOWLMLQSB-YRXLECQKSA-N 327.387 4.581 30 40 EJEB O=C(/C=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 408621417 MEBROWIOLFOCNX-OUKQBFOZSA-N 349.342 4.663 30 40 EJEB N#Cc1c(SCc2cccc(C(F)(F)F)c2)nc2sccn12 1400672 IHAMIEKNTMNJHN-UHFFFAOYSA-N 339.367 4.579 30 40 EJEB Cc1cc(C)[n+]2c(c1C#N)S[C@@H](c1ccccc1)[C@H]2c1ccccc1 4727984 CJFNLHIODIEEFO-RTWAWAEBSA-N 343.475 4.899 30 40 EJEB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1C 7756361 RUDSMNLMQHPYHC-UHFFFAOYSA-N 347.443 4.859 30 40 EJEB N#CCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 8062166 QJZYZVSQWFLFJG-XBXARRHUSA-N 331.202 4.711 30 40 EJEB CCCCCCCCCC[C@H](C(=O)Oc1ccc(O)cc1)N(C)C 105006693 LGSPEBVZKPPXKM-LJQANCHMSA-N 335.488 4.759 30 40 EJEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1c[nH]c2ccc(Br)cc12 3339777 HIIYQZLCLRSUGB-WGLYJRSMSA-N 334.261 4.527 30 40 EJEB CCc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 5054820 UIGQPNLSCVMEKY-SSDVNMTOSA-N 336.464 4.579 30 40 EJEB N#CCCn1cc(-c2csc(N3CCCCC3)n2)c2ccccc21 12556072 KRNZODDBJIZGBQ-UHFFFAOYSA-N 336.464 4.669 30 40 EJEB CSc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 13639969 NFDOXDFMDSJTPK-LJQANCHMSA-N 349.459 4.636 30 40 EJEB CC1(C)C(C(=O)/C=C2\Nc3ccccc3C2(C)C)=Nc2ccccc21 17969693 ULHFMCPEWCMZKH-UYRXBGFRSA-N 330.431 4.907 30 40 EJEB N#CC1(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CCCC1 29852122 VETFYUMGPFZBIX-UHFFFAOYSA-N 337.857 4.547 30 40 EJEB COc1ccc(/C=N/c2oc(-c3ccccc3)cc2C#N)cc1OC 84923910 HPBHQNVIOBKNIR-LPYMAVHISA-N 332.359 4.586 30 40 EJEB FC1(F)C(F)(F)[C@@](F)(Cl)[C@](F)(Cl)C(F)(F)[C@@]1(F)Cl 100475539 NOLOAYRMLAKXDE-RBVZJJKUSA-N 349.407 4.620 30 40 EJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1C 101504791 JIZHFUJUJKQBCG-SMSCYPBYSA-N 340.423 4.676 30 40 EJEB Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@@H]1CCO[C@H](C(C)C)C1 330176792 KGKZQDKJRJWIPS-WBVHZDCISA-N 341.455 4.814 30 40 EJEB Brc1cccc(-n2cccc2/C=N\C2CCCCC2)c1 409009429 FQJXRNGGDGPNHR-UYRXBGFRSA-N 331.257 4.991 30 40 EJEB CCc1ccccc1N/C=C/C(=O)c1ccc(Br)cc1 479031 SJURZDKLKPIRFQ-VAWYXSNFSA-N 330.225 4.820 30 40 EJEB C=C[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(=O)c1ccccc1 3846405 DSDGITVLZKIPAY-DSLXNQLJSA-N 328.452 4.676 30 40 EJEB biogenic O=C(/C=C/c1ccc(Br)cc1)c1cc(Cl)ccc1O 72333041 OOFMASRZPRVDLJ-XVNBXDOJSA-N 337.600 4.704 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225461997 YOTQKZCUUXWWEN-LJQANCHMSA-N 338.476 4.615 30 40 EJEB CCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1 408708334 XUCWIIHIGNNRRU-UHFFFAOYSA-N 338.879 4.535 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 408723218 RHUVTWLHQLUJOD-YBFXNURJSA-N 335.388 4.568 30 40 EJEB N#CCCCSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 6083850 LEPJMYNFWRKFMG-UHFFFAOYSA-N 347.871 4.561 30 40 EJEB CCn1cc(/C=C2/Oc3c(ccc(OC)c3C)C2=O)c2ccccc21 8765260 NEOZQOCZGUPHNJ-YBFXNURJSA-N 333.387 4.594 30 40 EJEB biogenic C=CCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 14400643 VOMXOCQYQLWLOP-UHFFFAOYSA-N 335.325 4.695 30 40 EJEB O=C(/C=C\Nc1ccc(F)cc1F)c1ccc(Br)cc1 100661894 OPWSADIIAMDFOZ-FPLPWBNLSA-N 338.151 4.536 30 40 EJEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccccc3F)ccc21 5186050 ISXGCUCGPIWXAT-ODLFYWEKSA-N 336.318 4.614 30 40 EJEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(F)cc1Br 6753428 AJASETCWANEDGQ-PKNBQFBNSA-N 334.188 4.787 30 40 EJEB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)cc1C#N 225825347 ORMORRYXSRMNSP-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2O)cc1 408859065 VSJOVODIOPTIRO-BKUYFWCQSA-N 339.826 4.653 30 40 EJEB C[C@H]1C[C@@H](C)CN(c2oc(-c3cccc4ccccc34)nc2C#N)C1 13787005 JVYXTMIZQPVKBJ-GASCZTMLSA-N 331.419 4.849 30 40 EJEB COc1ccc(/N=C2\C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 18286618 LOPBEIMSPQZRIB-NMWGTECJSA-N 346.430 4.667 30 40 EJEB C=CCOc1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225664162 RHIMMOHRSADRJR-UHFFFAOYSA-N 339.435 4.944 30 40 EJEB Cc1cc(/C=N\Nc2ccccn2)cc(C)c1OCc1ccc(F)cc1 408852321 SKUZVASDKNYDOU-CFRMEGHHSA-N 349.409 4.863 30 40 EJEB COc1ccccc1C(=O)/N=C(\c1ccccc1)c1ccc(C)cc1 4946978 JAMSMEJEYYTTNC-XTQSDGFTSA-N 329.399 4.681 30 40 EJEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 6048973 NFUQZMYWDVRWRQ-RUDMXATFSA-N 335.186 4.676 30 40 EJEB C=CCNCc1ccc(-c2ccc(Cl)cc2Br)o1 20158494 QBCCUWLVEOWGFW-UHFFFAOYSA-N 326.621 4.638 30 40 EJEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118924313 QRBQTBMHAOMKGV-ASIAPXLTSA-N 331.500 4.776 30 40 EJEB N#CC1(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 222945008 MUBPPBXHZBDYSY-UHFFFAOYSA-N 331.202 4.801 30 40 EJEB N#Cc1cn(C(=O)CSc2ccc(Cl)cc2)c2ccccc12 226362048 KGAICWOVINEHFQ-UHFFFAOYSA-N 326.808 4.599 30 40 EJEB CSc1ccccc1/N=C/c1cccn1-c1ccc(C(=O)O)cc1 408933051 HAYAMMOOIGICSG-DEDYPNTBSA-N 336.416 4.648 30 40 EJEB O=[N+]([O-])c1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc1 1565673185 WJUVBUMTFJWVJE-UHFFFAOYSA-N 349.202 4.587 30 40 EJEB Cc1ccc2nc(N/N=C/c3ccco3)nc(-c3ccccc3)c2c1 46085272 NWSWUTNVGHJFOH-FYJGNVAPSA-N 328.375 4.644 30 40 EJEB CC(C)[C@](C)(C#N)NC(=O)c1cc(-c2cccs2)nc2ccccc12 96997142 QVDSKZMXOCHSME-FQEVSTJZSA-N 349.459 4.631 30 40 EJEB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225820672 CZKZGLFZMSTAQZ-QRWLVFNGSA-N 346.471 4.515 30 40 EJEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(O)c3)c2C)cc1 409186956 KDCSRWJICHVQFP-HMAPJEAMSA-N 334.419 4.949 30 40 EJEB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)c1 191245 AZFUHEHHYHHSBZ-UHFFFAOYSA-N 347.443 4.859 30 40 EJEB N#Cc1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCC2 566947 IVYMERXCJZUFCB-UHFFFAOYSA-N 332.428 4.904 30 40 EJEB CCCOC(=O)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5431109 KXTOWLURQSTSGV-YBFXNURJSA-N 346.770 4.566 30 40 EJEB COc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c(OC)c1 16840726 YKXWMOKZLIEQSW-UHFFFAOYSA-N 339.782 4.521 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c1 20490393 RRZKBRJGFJMCFI-QGZVFWFLSA-N 345.826 4.701 30 40 EJEB COC(=O)c1ccc(/C=C2/CCC[C@H](C3CCCCC3)C2=O)cc1 33380690 MCFAANRGORGRSI-GDLUXTLDSA-N 326.436 4.806 30 40 EJEB Cc1ccc(C(=O)/C=C/C2=C(N3CCCC3)Cc3ccccc32)cc1 55112185 ITTUACMFMNCPAS-OUKQBFOZSA-N 329.443 4.797 30 40 EJEB N#C[C@@H](NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F 73224356 YQIUUFXRTZDIFP-RBXDXQPVSA-N 334.385 4.828 30 40 EJEB CC(C)[C@@](C)(C#N)NC(=O)c1cc(-c2cccs2)nc2ccccc12 96997141 QVDSKZMXOCHSME-HXUWFJFHSA-N 349.459 4.631 30 40 EJEB COc1cc(OC)c(/C=N/c2cc(C)ccc2C)cc1Br 261162 CGOBHFZWVBJQNS-VXLYETTFSA-N 348.240 4.834 30 40 EJEB C=C(C)C1(Br)[C@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 71785911 IDSMPKFHDMXGJE-IOETWPSPSA-N 335.138 4.927 30 40 EJEB C[C@@H]1CCCCN1Cc1ccccc1CNc1ccc(C#N)cc1F 72073047 NOVPQPXLTQFZHM-MRXNPFEDSA-N 337.442 4.684 30 40 EJEB Oc1nc2ccc(/N=C\c3ccc4c(c3)OCO4)cc2c2ccccc12 104102130 AMAIYDRKZBJGJN-JJFYIABZSA-N 342.354 4.573 30 40 EJEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 216828483 JAWKFFWNGHEEFM-UHFFFAOYSA-N 346.810 4.661 30 40 EJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccccc1Cl 408748898 IUSZSAPZISEQAI-RIYZIHGNSA-N 349.242 4.885 30 40 EJEB Cc1ccc(N2[C@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 1003570 PKLILLXSSPWLOR-DENIHFKCSA-N 342.398 4.863 30 40 EJEB C[C@]1(c2ccccc2)O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 5395705 JPQOSLFMZWFPKG-IFMALSPDSA-N 329.399 4.666 30 40 EJEB C(=N/Nc1nc(-c2ccccc2)nc2ccccc12)\c1cccs1 5731536 PRIPRWAPNSCBJP-DEDYPNTBSA-N 330.416 4.804 30 40 EJEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 21660298 CEPYRKHJFMICQJ-MRXNPFEDSA-N 342.826 4.837 30 40 EJEB N#Cc1cc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1C#N 24605406 XLWHBGQLXAMEGL-UHFFFAOYSA-N 341.326 4.797 30 40 EJEB Fc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59679271 PKAVEYLZQLFQAL-VCHYOVAHSA-N 337.192 4.532 30 40 EJEB C=CCOc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1 219644689 MKTLNCVHPPEBRA-UHFFFAOYSA-N 337.463 4.737 30 40 EJEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)N2 223729712 GKHPESJHDUHNHO-UHFFFAOYSA-N 348.233 4.885 30 40 EJEB COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC 5810731 GJAIIBGSTCBLNH-VAWYXSNFSA-N 348.398 4.762 30 40 EJEB O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(F)cc1 58381535 GQLSMLAJEIRMLV-FMIVXFBMSA-N 333.362 4.696 30 40 EJEB COc1cccc2cccc(/C=C/C(=O)c3ccc(NC(C)=O)cc3)c12 95115867 ZIVSMEUGHLQPOZ-SDNWHVSQSA-N 345.398 4.703 30 40 EJEB Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@@H]1CCO[C@@H](C(C)C)C1 330176790 KGKZQDKJRJWIPS-NVXWUHKLSA-N 341.455 4.814 30 40 EJEB COc1ccc2c(c1)-c1nc(/N=C/c3cccs3)sc1CC2 408722991 PDFYFWRKCHVWIU-VCHYOVAHSA-N 326.446 4.729 30 40 EJEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)O)cc1Cl 409217568 QDRWNMWVOOTOFD-UFWORHAWSA-N 338.190 4.516 30 40 EJEB O=C(c1ccc(Cl)cc1C(F)(F)F)C(F)(F)C(F)(F)F 575242689 FGARBTQJRPGRND-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB CCCCCCCNC(=S)N/N=C/c1ccc(Cl)cc1Cl 1685870 WNRSXVILKLSHGV-YBFXNURJSA-N 346.327 4.762 30 40 EJEB CC1(C)CCC[C@@](C)(C#CCN2CCC(Cc3ccccc3)CC2)O1 12402419 KUCFNANUPHJRDX-QHCPKHFHSA-N 339.523 4.682 30 40 EJEB CC(C)Cc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 20789846 LOJGCPLJPKHWHU-UHFFFAOYSA-N 349.478 4.615 30 40 EJEB CCCCCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 97941856 LIEMBYOWJWHMJP-UHFFFAOYSA-N 338.451 4.639 30 40 EJEB CN1/C(=C\C(=O)c2ccc(OC(F)F)cc2)C(C)(C)c2ccccc21 102947838 SRNDAZYQRINDTH-PDGQHHTCSA-N 343.373 4.782 30 40 EJEB C=CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OCC 408529520 HPJBQHISLKPTPS-UHFFFAOYSA-N 325.408 4.519 30 40 EJEB O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccc(F)cc1 5689548 XANYBKLOSJHPFQ-UHFFFAOYSA-N 333.366 4.546 30 40 EJEB CCC/C(=N\OCC)C1=C(OC)C[C@@H](C[C@@H](C)SCC)CC1=O 16611448 MLOOJBXIFOAJIX-KAPPWWTFSA-N 341.517 4.590 30 40 EJEB CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC 59109325 DMTNFEGHASBQDX-WOJGMQOQSA-N 334.213 4.607 30 40 EJEB N#Cc1cccc(C(=O)N2CCC[C@H]2c2cccc3ccccc23)c1 84598315 QCGWYCBXXAOQNL-NRFANRHFSA-N 326.399 4.689 30 40 EJEB COc1ccc(/C(=C/Nc2cccc(Cl)c2C)C(C)=O)cc1OC 100301534 RQGZFRZZTLETMU-RVDMUPIBSA-N 345.826 4.708 30 40 EJEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OC 409214439 TUVGLIZBIMYBLW-VXLYETTFSA-N 348.240 4.834 30 40 EJEB Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)cc1C 61783 OPZBGCPYPQKTRL-UFWORHAWSA-N 332.787 4.938 30 40 EJEB CCOc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 501490 ANLFASWURISABX-FYJGNVAPSA-N 339.826 4.983 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC 4276691 CHKCKZJOXKQZMG-DHZHZOJOSA-N 348.398 4.762 30 40 EJEB COc1ccc2c(c1)CC/C(=C\c1ccccc1Br)C2=O 4826285 ZHOQTMYSBFYMPC-GXDHUFHOSA-N 343.220 4.670 30 40 EJEB FC(F)(F)c1ccc(N/N=C/c2cc(Br)cs2)cc1 6241764 BXCNSSWCCOLNKQ-UBKPWBPPSA-N 349.175 4.975 30 40 EJEB CC1CCC2(CC1)[C@H](C(=O)C13CC4CC(CC(C4)C1)C3)C2(C#N)C#N 6395755 AQDMAHBQTDZTDP-GRCSFXLMSA-N 336.479 4.632 30 40 EJEB Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)n2C)cc1 7131219 GEGHVBXVAJQHPF-GOSISDBHSA-N 333.460 4.623 30 40 EJEB CCCOc1ccc2ccccc2c1/C=N/NCc1ccccc1OC 20762199 BDJCWXMBOYIERX-LFVJCYFKSA-N 348.446 4.761 30 40 EJEB Cc1ccc(N/N=C2\C(=O)Nc3ccc(C(C)C)cc32)cc1Cl 59154497 HRCPAFOJGBTCLA-UHFFFAOYSA-N 327.815 4.540 30 40 EJEB C=C1CCC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCCC2 104149797 MAFDAQMXTRVVSO-MNDPQUGUSA-N 344.371 4.571 30 40 EJEB Cc1cc(/C=N/c2cccc(O)c2)c(C)n1-c1ccc(N(C)C)cc1 408739813 FWMWLNRKSBOWJZ-HYARGMPZSA-N 333.435 4.616 30 40 EJEB C#CCOC(=O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 216795742 STKVZPZVKUIFKZ-UHFFFAOYSA-N 346.169 4.592 30 40 EJEB N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1ccccn1 8436770 NYPVJUDSQUTPCD-UHFFFAOYSA-N 335.354 4.537 30 40 EJEB O=C1NC(=N\c2cccc(C(F)(F)F)c2)/C(=C/c2cccnc2)S1 39886189 GSSRMGYBEFUMJL-QPEQYQDCSA-N 349.337 4.628 30 40 EJEB C=C1Nc2ccccc2N=C(O)[C@H]1Sc1nc2ccccc2s1 101181510 ZARFQBUXZJKJJF-HNNXBMFYSA-N 339.445 4.984 30 40 EJEB CCn1c(N/N=C/c2c(OC)ccc3ccccc23)nc2ccccc21 408692285 JAWRGLCJDDZSNX-HYARGMPZSA-N 344.418 4.664 30 40 EJEB C=C[C@@](C)(Cc1cccc2ccccc12)NC(=S)N1CCCCC1 91247 YOCIIUHSMJEKCC-NRFANRHFSA-N 338.520 4.687 30 40 EJEB FC(F)(F)c1cccc(/N=C/c2ccc(OC3CSC3)cc2)c1 440133 VYBJPDBLGMETAJ-ZVBGSRNCSA-N 337.366 4.950 30 40 EJEB Cn1nc(-c2ccccc2)c(C#N)c1Sc1ccccc1Cl 1387619 GEVLNPHAUTYHCZ-UHFFFAOYSA-N 325.824 4.763 30 40 EJEB CC(C)c1ccccc1-n1c(S[C@@H](C)C#N)nc2ccccc2c1=O 3444406 RFGJWDGBRMULDE-AWEZNQCLSA-N 349.459 4.513 30 40 EJEB CC/C(=N\NC(=S)Nc1ccc(C)c(C)c1)c1ccc(F)cc1 4871728 GSZGZDFNGWROSM-HEHNFIMWSA-N 329.444 4.543 30 40 EJEB COc1ccc2cc(/C(C)=N/Nc3nc4ccccc4[nH]3)ccc2c1 5070803 KVUZBQPPMBVXLH-YDZHTSKRSA-N 330.391 4.561 30 40 EJEB CSc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 5863752 KYMURGNRGQUUAS-IFRROFPPSA-N 345.777 4.922 30 40 EJEB CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(F)cc1)c1ccccc1-2 104180862 VYXKCTVLODINGA-FLFQWRMESA-N 330.362 4.934 30 40 EJEB Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)cccc1[N+](=O)[O-] 65944 XHHSESFHHWEXKO-REZTVBANSA-N 325.151 4.666 30 40 EJEB C[C@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1 357828 ZNBKDZHODAQBRP-QKRFLKLASA-N 348.830 4.744 30 40 EJEB CCOc1cccc(/C=N/c2cc(-c3ccccc3)ccc2O)c1O 3033546 MMNVXYGPWRZFNY-HYARGMPZSA-N 333.387 4.914 30 40 EJEB C=C[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 6744536 HQCWLYGJDWRLIV-PJDYVGSDSA-N 341.451 4.655 30 40 EJEB CCCCCCCOc1ccc(C(=O)Nc2cccc(N)c2)cc1 100013039 YZKPORVLMCSCSH-UHFFFAOYSA-N 326.440 4.870 30 40 EJEB CCN(/C=N/c1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC 102311117 OTNLMBULSKDKJE-HZHRSRAPSA-N 332.451 4.501 30 40 EJEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccccc3)c2)c1 409201693 NLKWNYTWQWBXPF-HAHDFKILSA-N 344.414 4.763 30 40 EJEB N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 2765829 RMONXVYIYWHKFM-JKSUJKDBSA-N 336.460 4.631 30 40 EJEB CC1(C)CC(=O)C=C(Nc2ccc(Br)cc2Cl)C1 4600209 YQZVMYYHBBUSSS-UHFFFAOYSA-N 328.637 4.787 30 40 EJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1cccc(F)c1 5376979 BQSIKVSWVPERDG-PDGQHHTCSA-N 348.402 4.871 30 40 EJEB C=C[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@H]1[C@H]2C 100742790 HQCWLYGJDWRLIV-ZAGABRQDSA-N 341.451 4.655 30 40 EJEB biogenic S=C(NCc1ccccc1)N/N=C1/CCCC[C@@H]1C1CCCCC1 103458618 ZUHGTTMPXIBJHE-HSDQKXRGSA-N 343.540 4.777 30 40 EJEB C=CCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)SC1=S 409338539 LSDAPKPQMRITLG-YBEGLDIGSA-N 342.489 4.609 30 40 EJEB FC(F)(F)c1ccccc1N/N=C/c1ccc(Br)cc1 4933184 XNPVWFCBDRKGGE-DJKKODMXSA-N 343.146 4.914 30 40 EJEB Cc1ccc(C(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 5928645 DESBBVIYLAYEIW-UHFFFAOYSA-N 343.430 4.586 30 40 EJEB N#Cc1ccccc1Cn1c(NCc2ccccc2)nc2ccccc21 7989840 WQMPFUGTFOGYST-UHFFFAOYSA-N 338.414 4.568 30 40 EJEB C[C@@H]1CCCC[C@@H]1/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82077134 RUHXGWLESZDFTQ-CJNGLKHVSA-N 342.405 4.672 30 40 EJEB FC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100044041 NBQYGIPVNCVJJP-UHFFFAOYSA-N 338.038 4.652 30 40 EJEB in-vitro CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225840978 JDLFQKWLXNVASK-FQEVSTJZSA-N 346.471 4.515 30 40 EJEB Cc1c(/C=N\c2cc(C(=O)O)ccc2Cl)c2ccccc2n1C 408854153 YONWUAHDRFLCBA-JMIUGGIZSA-N 326.783 4.589 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2ccc(C)cc2)cc1OCC 409120289 SXGJUIMIXZITEN-UHFFFAOYSA-N 335.447 4.746 30 40 EJEB CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(Cl)cc1C#N 609149948 ZQRGGOKPAFQVKX-JXFKEZNVSA-N 340.854 4.816 30 40 EJEB COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 59990 FCUJTBIKGGUVSI-CAOOACKPSA-N 325.151 4.661 30 40 EJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccccc3F)nc1-2 59459297 SDTGUQCBQMYXRU-SRZZPIQSSA-N 338.407 4.807 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(C(C)(C)C)cc1 408739778 FQDJVCDYVRVAQX-KWJZBXMYSA-N 333.435 4.725 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)CCCc3ccccc3)c2C#N)C1 28432 BDKSGJFAJHJHBQ-AWEZNQCLSA-N 338.476 4.706 30 40 EJEB Cc1ccc(/N=C2\CCCCCN2C(=O)NC2CCCCC2)cc1 1409657 BHQFZYLEOKMQSV-XUTLUUPISA-N 327.472 4.943 30 40 EJEB N#Cc1c(NC(=O)Nc2ccccc2)sc2c1CCCCCC2 2740111 UAFQSUNYTKBKPC-UHFFFAOYSA-N 325.437 4.923 30 40 EJEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCC1 5453725 FIMUNAUSDWBIMD-UHFFFAOYSA-N 332.451 4.975 30 40 EJEB Cc1[nH]c2ccccc2c1/C=N/Nc1ncnc2sc(C)c(C)c12 6651716 RMILHPWSGZWCTC-ODCIPOBUSA-N 335.436 4.544 30 40 EJEB O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)ccc1O 8381347 TXIASVZZUFTTQH-KGENOOAVSA-N 332.359 4.642 30 40 EJEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1 8811661 UALUUBRFOCPLKQ-OEAKJJBVSA-N 337.854 4.871 30 40 EJEB CCOc1ccc(Cl)cc1/C=N/c1cc(C(=O)O)ccc1Cl 409105010 HOXBTXPFLZDLMX-DJKKODMXSA-N 338.190 4.841 30 40 EJEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 2740580 BMQFSUONYZUVER-LLVKDONJSA-N 328.412 4.526 30 40 EJEB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1Cc1ccc(C#N)cc1 4450109 CAWUXHFOUUXDTM-UHFFFAOYSA-N 342.320 4.615 30 40 EJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\O)[C@@]4(C)CC[C@@H]32)C1 4887424 QLSVFSSDFUXCHZ-UQENRJRCSA-N 345.483 4.711 30 40 EJEB biogenic,in-vitro Cc1c(C(=O)c2ccc(F)cc2Cl)c2ccccn2c1CCC#N 6550084 BVNOQDIYXAVXSI-UHFFFAOYSA-N 340.785 4.727 30 40 EJEB CN(CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 57234729 RZLCKHJLSZXITQ-DEOSSOPVSA-N 347.502 4.590 30 40 EJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccccc3Cl)S2)c1 59426801 ZFLBATRFAHXFTG-YBEGLDIGSA-N 342.851 4.848 30 40 EJEB Clc1cc(Cl)c(/C=N/N=C/c2cnc(Cl)cc2Cl)cn1 91302291 UCFSTFZPQWYXQW-OGBZJDJUSA-N 348.020 4.543 30 40 EJEB C=CCOc1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225664119 LGYDISQXTUDORF-UHFFFAOYSA-N 339.435 4.944 30 40 EJEB CC(C)COc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1 408978742 JQRNKHDYJNYOJX-UHFFFAOYSA-N 343.430 4.735 30 40 EJEB CCN(Cc1ccc(Cl)s1)Cc1cn2ccccc2c1C#N 12904540 ZBSBRYHINRLVSP-UHFFFAOYSA-N 329.856 4.548 30 40 EJEB O=C1/C(=C\Nc2cccc(Br)c2)Sc2ccccc21 100057777 RFWWNHAULHNCKI-NTEUORMPSA-N 332.222 4.691 30 40 EJEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC1=[N+]([O-])CCN1 104370696 LYAOJMQMJXWQCP-RTBURBONSA-N 338.536 4.747 30 40 EJEB C=CCSc1ccccc1C(=O)NCc1cccc(OC(C)C)c1 219810550 MOCVTSOXCIJCSH-UHFFFAOYSA-N 341.476 4.682 30 40 EJEB CCCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 408910360 KHZHAEDTVPQMNJ-WBZXNMJOSA-N 328.462 4.762 30 40 EJEB COc1cc(Cl)ccc1/N=C/c1cc(Br)ccc1O 353849 HUGKOCWBTRKMQG-CAOOACKPSA-N 340.604 4.567 30 40 EJEB Cc1cccc(N/N=C(/C#N)c2nc(-c3ccccc3)cs2)c1C 4175503 XITGAKGGRXGMFG-QJOMJCCJSA-N 332.432 4.767 30 40 EJEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 5612856 STGOYRHLTNNDMV-HZHRSRAPSA-N 347.462 4.919 30 40 EJEB C=CCn1c([C@@H](C)Oc2ccc(-c3ccccc3)cc2)n[nH]c1=S 5729987 QCNRXFJRRHMWBS-CQSZACIVSA-N 337.448 4.934 30 40 EJEB CC1(C)C/C(=N\O)c2c(nc(C(F)(F)F)c3[nH]c4ccccc4c23)C1 6591222 RRVHEZVGBROKGV-WYMPLXKRSA-N 347.340 4.886 30 40 EJEB Cc1ccc(C(=O)/C=C/C(Cl)=C/c2ccccc2)cc1[N+](=O)[O-] 48324566 UBQZKVXFGLBCSM-MDHDVOIXSA-N 327.767 4.922 30 40 EJEB C=CCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OC 70453944 HNXGUKKITGHJKW-UHFFFAOYSA-N 332.403 4.949 30 40 EJEB CCCCCCCc1nnc(NC(=O)c2ccccc2Cl)s1 98045237 JAVHFUUYSXSBFJ-UHFFFAOYSA-N 337.876 4.957 30 40 EJEB C=CCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1nc(-c2ccccc2)cs1 101202816 IKHQTGLKWOASOC-XIRDDKMYSA-N 336.460 4.541 30 40 EJEB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C#N 225680252 MUQFLSLRWPPHQV-UHFFFAOYSA-N 348.446 4.716 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 225708038 LINVQWPQFLJOBT-MRXNPFEDSA-N 340.492 4.916 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccccc2C)c1 225758761 LADYVDIRSUYIGY-IBGZPJMESA-N 340.492 4.998 30 40 EJEB Cc1ccc(/N=C/c2ccccc2I)cc1C 408551292 MWMPFHZSOOMOQT-LICLKQGHSA-N 335.188 4.659 30 40 EJEB COc1cc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)ccc1O 408733549 JLMBVLNWQCNGRX-YDZHTSKRSA-N 344.414 4.672 30 40 EJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3)S2)cc1Cl 408739390 WBMIZEXSYUIGFB-DHDCSXOGSA-N 328.824 4.540 30 40 EJEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1Cl 409010516 FGGKNEAZWITOIX-ZICWZVMQSA-N 331.799 4.966 30 40 EJEB O=C(O)c1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 59421 XNVAJKRENCRCFT-HYARGMPZSA-N 331.371 4.714 30 40 EJEB COc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 353474 ANFFXNDZWFXAFO-LPYMAVHISA-N 344.370 4.960 30 40 EJEB CCOc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1O 4925914 FRKNVUATMWYXBE-XQNSMLJCSA-N 346.430 4.832 30 40 EJEB Cc1cc2oc(=O)cc(COc3ccc(C#N)cc3Cl)c2cc1C 18963616 BYVOLLWKPJSGFL-UHFFFAOYSA-N 339.778 4.514 30 40 EJEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(F)ccc2F)cc1 44843106 YBLNATVOAVYBJI-ZHACJKMWSA-N 331.362 4.952 30 40 EJEB CCOc1ccccc1/N=C\c1cc(F)c(N2CCCC2)cc1C 107565627 YZUJWARWWASAJD-HMAPJEAMSA-N 326.415 4.884 30 40 EJEB CCOc1ccc(-c2csc(N/N=C/c3cccc(C)c3)n2)cc1 8478672 QCUMLKGOJXNWSU-UDWIEESQSA-N 337.448 4.963 30 40 EJEB C/C(=N\N(C)c1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1 91695222 AVZZMMLVRUTBFS-UFFVCSGVSA-N 327.737 4.614 30 40 EJEB COc1ccccc1/C=C/C(=O)c1c(Cl)n(C)c2ccccc12 96026276 YKRSRQNAWJHVJO-VAWYXSNFSA-N 325.795 4.736 30 40 EJEB Cc1ccc(COc2c(Cl)cc(C#N)cc2Br)cc1 216910806 STDOXUKYNDMGJW-UHFFFAOYSA-N 336.616 4.862 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Sc2ccc(C)cc2)cc1 225888461 ISGOXAWJJXCDAR-UHFFFAOYSA-N 333.460 4.758 30 40 EJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1 408596822 VEEHESSBHRFPMZ-BUVRLJJBSA-N 342.398 4.688 30 40 EJEB C/C(=N\Nc1nc(C)cs1)c1ccc(OCc2ccccc2)cc1 409058630 UHLQECQZGYURBM-RCCKNPSSSA-N 337.448 4.867 30 40 EJEB CCOc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)ccc1O 3244257 ISYSACPWWWJLPF-XQNSMLJCSA-N 344.414 4.662 30 40 EJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccccc1Cl 5550947 IMKMMPWBOGXQAH-ZROIWOOFSA-N 349.242 4.885 30 40 EJEB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 12406348 CFMYMGVPGPWIRI-QWEZLZDISA-N 336.410 4.887 30 40 EJEB CCCCCCCNC(=O)COc1ccc(-c2ccccc2)cc1 97940328 YITPPRYMBPWGFN-UHFFFAOYSA-N 325.452 4.819 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 216887376 QUTLNMXKXYYCSG-BJMVGYQFSA-N 346.785 4.801 30 40 EJEB Cc1cccc(Cn2c(C#N)cc(N)c2Oc2cc(C)ccc2C)c1 225885209 DPQSSWYEQMRHOA-UHFFFAOYSA-N 331.419 4.708 30 40 EJEB C=CCNc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1775129 NKUSKIGSCNEXSL-UHFFFAOYSA-N 338.480 4.669 30 40 EJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2557160 ULJOJMSGJSWPSE-XUCMERPOSA-N 342.479 4.616 30 40 EJEB biogenic O=C(Nc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1 8708643 YWQWBAAEXBUHKW-UHFFFAOYSA-N 331.802 4.992 30 40 EJEB CCCCCOc1ccc(/C(C)=N\Nc2nc3ccccc3[nH]2)cc1 59417095 OQIVXDUCGCEFLX-HAHDFKILSA-N 336.439 4.968 30 40 EJEB Clc1ccc(/N=C/c2ccc(OCC3=CCOCC3)cc2)cc1 103541021 LMTUMXBYBDMOCO-FYJGNVAPSA-N 327.811 4.816 30 40 EJEB CC(=O)Nc1ccc(Cc2ccc(/N=C\c3ccccc3)cc2)cc1 104086042 HCYYFHKNXJKSQS-KQWNVCNZSA-N 328.415 4.986 30 40 EJEB Cc1ccc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 408859379 WMOUCHZEPYZWKQ-STZFKDTASA-N 348.406 4.511 30 40 EJEB CCOC(=O)C#CC1=CCC(c2ccccc2)(c2ccccc2)CC1 3844261 OBOOXHFOHSTWJD-UHFFFAOYSA-N 330.427 4.650 30 40 EJEB biogenic C/C(=N\OC(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)no1 12350737 PNKFUNKBBABRLL-UDWIEESQSA-N 340.766 4.576 30 40 EJEB N#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2cccnc2)nc1N 20291501 UTUUZNQSIQYMEU-UHFFFAOYSA-N 341.201 4.571 30 40 EJEB Oc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 408851890 BDOPVFXUBDFZRB-UNOMPAQXSA-N 341.208 4.696 30 40 EJEB CCCCCCCCn1nc2cc(F)c(F)c(Br)c2n1 1776011024 RRDYSWXWIBRXMP-UHFFFAOYSA-N 346.219 4.833 30 40 EJEB Cc1ccc2cc(C3=C/C(=N/Nc4ccccc4)C(=O)O3)ccc2c1 59472415 PTFUIBRGFKMMPJ-NMWGTECJSA-N 328.371 4.514 30 40 EJEB Cc1ccc(/N=C\c2cc(C)cc(/C=N\c3ccc(C)cn3)c2O)nc1 100146953 DHKDPKHYGWLHPJ-CPGLPWGESA-N 344.418 4.609 30 40 EJEB Cc1ccc(/N=C\c2ccc(-c3ccc(C#N)cc3)o2)cc1[N+](=O)[O-] 101751527 HNWUGZZMPNERPJ-MTJSOVHGSA-N 331.331 4.786 30 40 EJEB Cc1ccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1 411055 LXYQOVGOGDRWNB-UHFFFAOYSA-N 336.391 4.529 30 40 EJEB O=C(O)c1ccccc1N/N=C/c1ccc(-c2ccccc2Cl)o1 4902270 NMDZDMNJLCAJMA-RGVLZGJSSA-N 340.766 4.744 30 40 EJEB in-vitro CCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c21 5499169 JZIPWWRAFZJKNC-UHFFFAOYSA-N 332.451 4.610 30 40 EJEB CSc1nc(NC2CCCCC2)c(C#N)c(-c2ccc(C)cc2)n1 5607414 PDGUJALMCBZDBF-UHFFFAOYSA-N 338.480 4.790 30 40 EJEB COc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1 40379659 LMXCFZCMNBWAHM-UHFFFAOYSA-N 340.378 4.554 30 40 EJEB CCCCCCCCNC(=S)Nc1nnc(CCCCC)s1 100950758 XHDSYYIPTUDUSA-UHFFFAOYSA-N 342.578 4.918 30 40 EJEB CCCCCCCCCC(=O)NCc1ccc(Cn2ccnc2)cc1 102998318 QEXPCIFGPISOCS-UHFFFAOYSA-N 341.499 4.688 30 40 EJEB CC(C)OC(=O)COc1ccc(/C=N\c2ccc3ccccc3c2)cc1 409188520 CQILEPKKBXZCNL-UCQKPKSFSA-N 347.414 4.921 30 40 EJEB CC1(C)CC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)C1 1452449 HJYHJEFCFXKDBP-UHFFFAOYSA-N 328.795 4.942 30 40 EJEB biogenic N#Cc1ccc(Oc2ccc(Oc3ccc(C(=O)O)cc3)cc2)cc1 8473595 VESIXZPLDRQSMW-UHFFFAOYSA-N 331.327 4.841 30 40 EJEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1Cl 59250281 LJUSVUOGAXWKEW-FYJGNVAPSA-N 338.794 4.668 30 40 EJEB C#CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OC 408609919 PKTDCVZHBDLASA-UHFFFAOYSA-N 336.218 4.626 30 40 EJEB C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(F)cc1 2223795 WBEIPPCBZNFUDV-UHFFFAOYSA-N 339.439 4.871 30 40 EJEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 5161527 ICWMWEXAJSQVQT-KEBDBYFISA-N 333.363 4.734 30 40 EJEB N#Cc1ccccc1-c1ccc(CN2CCc3sccc3C2)cc1 14856217 VNRWELKFKYKGQO-UHFFFAOYSA-N 330.456 4.845 30 40 EJEB O=C(/C=C/Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 44842640 VIDUAKRFPHNUEJ-AATRIKPKSA-N 336.174 4.531 30 40 EJEB Cc1ccc(C)c(C(=O)/C=C/Nc2cccc(CN3CCCC3)c2)c1 44844406 QZNBFJRQZQTGBJ-ZHACJKMWSA-N 334.463 4.708 30 40 EJEB Cc1oc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C#N)c1C 100251838 RUVLTTVJOIODNW-KEBDBYFISA-N 335.319 4.687 30 40 EJEB C[C@H](Oc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 408851596 LNRREZRDBPOOHE-OVNPTBDBSA-N 338.190 4.596 30 40 EJEB CC1=NOC(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408934277 ABTPEPNRFVVJBX-DEDYPNTBSA-N 343.382 4.735 30 40 EJEB Cc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5376311 HGZFNRQQQAYWNU-NVNXTCNLSA-N 346.814 4.679 30 40 EJEB CC(C)/N=C1\NN=C(c2c[nH]c3ccccc23)[C@@H](c2ccccc2)S1 7780942 MKZFVDANAVKKJI-LJQANCHMSA-N 348.475 4.714 30 40 EJEB CCOc1cc(/C=N/O)cc(Cl)c1OCc1cccc(Cl)c1 11864193 ZCMLUJSJPGYOIV-DJKKODMXSA-N 340.206 4.779 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 44900145 MHMBUDQHOVLERS-SFHVURJKSA-N 345.826 4.701 30 40 EJEB CC[C@@H](CNc1oc(-c2ccc(OC)cc2)nc1C#N)c1ccccc1 72238625 JFAVMLSSNFVOMX-HNNXBMFYSA-N 347.418 4.828 30 40 EJEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O 1008402 SXYGBCZXKVKOAF-FFCYNSPCSA-N 343.379 4.697 30 40 EJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 4829062 CISBUHCITCYFGI-SJKOYZFVSA-N 339.357 4.906 30 40 EJEB CCN(CC)c1ccc(/C=N/c2cccc(Br)c2)c(O)c1 13943126 WWVXMTJLRFAZPX-XDHOZWIPSA-N 347.256 4.752 30 40 EJEB C#CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 89261549 KEEZMJHJIOUJGR-LJQANCHMSA-N 346.386 4.709 30 40 EJEB N#C[C@@]12CCCC[C@@H]1C[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1O 102665419 NYPAPXFYOSDURV-JYWFKMLOSA-N 335.451 4.507 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222846178 OBFQIBKOOJYTGM-CQSZACIVSA-N 345.826 4.619 30 40 EJEB CC(C)(C)[C@@H]1C/C(=C/c2ccccn2)C(=O)/C(=C/c2ccccn2)C1 245296596 LSJAFGPDIQTRTL-XDQCFNNNSA-N 332.447 4.969 30 40 EJEB CCCN(CCC)c1ccc(/C=N/Nc2nncc3ccccc23)cc1 4063537 IDAKWGIMQOCBRM-PXLXIMEGSA-N 347.466 4.702 30 40 EJEB CN(/N=C/C(=N/N(C)c1ccccc1)c1ccccc1)c1ccccc1 5509945 GXIJACDUNNCGBY-RNTBDFEGSA-N 342.446 4.649 30 40 EJEB COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c(OC)c1OC 7714233 PWWNOOOWWJNXLD-ZRDIBKRKSA-N 340.419 4.732 30 40 EJEB FC(F)Sc1ccc(NC(=S)N/N=C/[C@H]2CC=CCC2)cc1 7783914 BAQCUJGBUTUIAL-HPAYWCODSA-N 341.452 4.630 30 40 EJEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(F)c(F)c1)O[C@@H](C)C2 15349061 FTJFXCOINJDTEE-PZBABLGHSA-N 344.357 4.583 30 40 EJEB N#C[C@H](C1=NC=CC[C@@H]1C(F)(F)F)c1cccc(C(F)(F)F)c1 95921857 MCLQCZOGSQKPGN-RYUDHWBXSA-N 332.247 4.849 30 40 EJEB C=CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccccc1 100074735 XYNRBBPULAENOU-DQDQKTFQSA-N 326.446 4.538 30 40 EJEB CC1(C)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC1 225371437 JFBVKYLXAJDHIE-YCRREMRBSA-N 326.367 4.519 30 40 EJEB C/C(=N\Nc1ccc(F)cc1F)c1ccc(Br)s1 4927284 HNLGEUYKJOBXHH-FRKPEAEDSA-N 331.185 4.625 30 40 EJEB C=CCn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 6313082 LGEVMAKZVDVKSX-UDWIEESQSA-N 332.432 4.883 30 40 EJEB O=C(/C=C/Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 44842631 JWOOZDBAIJARBK-AATRIKPKSA-N 336.174 4.531 30 40 EJEB CCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1 100930222 JPGNCOWOSJWDEJ-QZQOTICOSA-N 327.424 4.968 30 40 EJEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1cccc(F)c1 225881408 WCVOBDVHSNVSNN-UHFFFAOYSA-N 341.773 4.575 30 40 EJEB C=CCOc1ccc(CNc2cccc(C)c2)cc1Br 409118832 ONKWBSBQHZJKMC-UHFFFAOYSA-N 332.241 4.934 30 40 EJEB N=C(Nc1ccccc1)SCCCS/C(N)=N/c1ccccc1 1667613 OVMODHWJCFPYSE-UHFFFAOYSA-N 344.509 4.536 30 40 EJEB N#Cc1ccc(-c2ccccn2)nc1SC/C=C/c1ccccc1 3088829 NJASPVVAOLMTJH-RMKNXTFCSA-N 329.428 4.821 30 40 EJEB C=CCn1c(C)nnc1SCc1nc2ccccc2c2ccccc12 20050563 CDUOAPQSTWLCGQ-UHFFFAOYSA-N 346.459 4.766 30 40 EJEB CCCCCCCc1c(C)nc(Nc2ccccc2OC)nc1O 98048992 YKEVMFRXBGORNK-UHFFFAOYSA-N 329.444 4.756 30 40 EJEB C=CCn1c(SCCCCC)nc2sc3c(c2c1=O)CCCC3 2361991 KXRCOGMVIKUWSW-UHFFFAOYSA-N 348.537 4.805 30 40 EJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(OC)c(Cl)c2)cc1 51318904 GERJNXDCVNPENH-ZHACJKMWSA-N 331.799 4.556 30 40 EJEB C=CCOC(=O)c1ccc2nc(-c3ccccc3Cl)sc2c1 73635096 UUJBRWMEUZJBEE-UHFFFAOYSA-N 329.808 4.960 30 40 EJEB N#Cc1c(Cl)ncc(Cl)c1-c1cccc(Br)c1 256054771 XRUYPKHJXMWCHI-UHFFFAOYSA-N 327.996 4.690 30 40 EJEB N#Cc1ccc(Oc2cccc(-c3cnc4ccccc4n3)c2)cc1C#N 39405 FJMDTJZJIWFQJN-UHFFFAOYSA-N 348.365 4.832 30 40 EJEB COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1 42613 SVCQCPOJSKEVKE-UHFFFAOYSA-N 330.387 4.613 30 40 EJEB CCc1sc(N/N=C/c2ccccc2OC)nc1-c1ccccc1 4980091 BYKIBCJVWRINMV-DEDYPNTBSA-N 337.448 4.827 30 40 EJEB S=C(/N=C(/Nc1ccccc1)c1ccccc1)N1CCCCCC1 5946172 DNLRMUJTIBZTJJ-UHFFFAOYSA-N 337.492 4.706 30 40 EJEB CCc1nc(SCCCC(=O)c2cccs2)c(C#N)cc1C 8783547 ODQSSEMRLQSWTB-UHFFFAOYSA-N 330.478 4.641 30 40 EJEB CSc1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 44843404 KRXSTAFGSXIENK-MDZDMXLPSA-N 348.265 4.980 30 40 EJEB CCCCCCCCCCCCCCOCCOCCOCCO 88260003 NBPXCCCUFZBDQE-UHFFFAOYSA-N 346.552 4.730 30 40 EJEB CCCCc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409069903 YMZFTIOEYYEFDU-HAVVHWLPSA-N 336.479 4.925 30 40 EJEB C=CCOc1cc2c(cc1[C@@H](C)c1ccc(OCCC)cc1)OCO2 5785304 HKGGVDSNYSWUCQ-HNNXBMFYSA-N 340.419 4.921 30 40 EJEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1 7586980 GUJZDAOAHKTXIY-JLHYYAGUSA-N 348.446 4.531 30 40 EJEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)Nc1ccccc1 100413148 IVJVDMGFEBBKNR-UCQKPKSFSA-N 348.377 4.594 30 40 EJEB C=CCSc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 219811406 IQKCYWFYQDRDGK-UHFFFAOYSA-N 345.895 4.981 30 40 EJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 409066773 MGANNORPMLHOSW-XNTDXEJSSA-N 345.807 4.822 30 40 EJEB Cn1cc(/C=C/C(=O)c2ccc(Br)cc2)c2ccccc21 4815053 DFDPOSDOJKPOSM-DHZHZOJOSA-N 340.220 4.837 30 40 EJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 5588522 JMVIANRVVAJUON-GDNBJRDFSA-N 328.824 4.540 30 40 EJEB C/C(=N\Nc1c(F)c(F)nc(F)c1F)c1ccc2ccccc2c1 8403305 OKTHVQYSFXXPEL-NUGSKGIGSA-N 333.288 4.627 30 40 EJEB N#CCCn1cc(/C=C/c2nc3ccccc3o2)c(-c2ccccc2)n1 12790729 KWYFATOSNQTHHS-VAWYXSNFSA-N 340.386 4.775 30 40 EJEB CCCCCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1 36107763 QYYOWXGHJFPMIM-UHFFFAOYSA-N 331.500 4.675 30 40 EJEB C[C@@H]1C[C@@H](C)CN(c2oc(-c3cccc4ccccc34)nc2C#N)C1 546092 JVYXTMIZQPVKBJ-HUUCEWRRSA-N 331.419 4.849 30 40 EJEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccccc3)cs2)c(C)c1 4175521 IXARJRDTHMQGLG-QJOMJCCJSA-N 332.432 4.767 30 40 EJEB Cc1cc(N/N=C(\N=N\c2ccc(Cl)cc2)c2ccccc2)n[nH]1 5322510 UGDODLJMZQFMEN-BCAKGFHESA-N 338.802 4.929 30 40 EJEB C=CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 8498820 WTWWRXIMSTWPAE-UHFFFAOYSA-N 343.426 4.771 30 40 EJEB Cc1csc(N(C(=O)/C=C/c2ccccc2C#N)c2ccccc2)n1 9052245 HNHRAXBLKDONED-VAWYXSNFSA-N 345.427 4.701 30 40 EJEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c1C 12032542 BYBGUDGDISNFNL-VCHYOVAHSA-N 347.443 4.676 30 40 EJEB CN1/C(=C\C(=O)c2ccccc2Cl)c2ccccc2CC1(C)C 33311183 QCAKXRFLHYMFOX-PDGQHHTCSA-N 325.839 4.830 30 40 EJEB CC(=O)Nc1ccc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc1 96930485 SUOKBMGRYKEQNQ-JYRVWZFOSA-N 343.835 4.670 30 40 EJEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)CO5 118936612 QVWIWZCMRRDQQC-RVDICAHYSA-N 346.511 4.730 30 40 EJEB C=CCc1cc(C=O)cc(Br)c1OCc1cccc(F)c1 408855087 BVIFXPYMDZNJAF-UHFFFAOYSA-N 349.199 4.708 30 40 EJEB O=C(c1ccc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)F 575242653 BTWCZBRVSMWLOP-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB N#Cc1ccc(SCc2ccn(-c3ccccc3F)n2)c(Cl)c1 1643785378 NMSIZBNGHZPBPV-UHFFFAOYSA-N 343.814 4.829 30 40 EJEB O=C1CCCC2=C1[C@@H](c1cccs1)Nc1ccc3ncccc3c12 101305 JJTHTXHIRXGBTR-HXUWFJFHSA-N 332.428 4.970 30 40 EJEB C=CCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 8104379 WYYNZOXBAIKGLO-UHFFFAOYSA-N 339.435 4.701 30 40 EJEB N#Cc1nc(/C=C/c2cccs2)oc1NCc1ccc(F)cc1 16768494 FWJQQTXJKCQPLW-BQYQJAHWSA-N 325.368 4.529 30 40 EJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/C=C/c3ccccc3)S2)c1 59426796 WLWCLTJDVBYQRL-CVCOPPNTSA-N 334.444 4.751 30 40 EJEB CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC[C@@H]4C=C(O)CC[C@]4(C)[C@H]3CC[C@@]12C 118936220 YJSXWOYIDNPTIW-YNTRYAGGSA-N 344.495 4.808 30 40 EJEB CCOc1ccc(/N=C2/Oc3ccccc3[C@H]3SCCCN23)cc1 4968555 UXMJCSCJWNXVRE-MLSMBGFSSA-N 340.448 4.603 30 40 EJEB C=CCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OCC 8254452 XHKXHNIXPMJFIP-UHFFFAOYSA-N 341.495 4.564 30 40 EJEB CCCN1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 28495646 MEDQWZKTJXXNRM-VAQFQWRASA-N 329.490 4.571 30 40 EJEB CCCC/N=C1\S/C(=C/c2ccccc2F)C(=O)N1CCCC 35042013 CPOWHFVVXQXRDW-LDORSNRDSA-N 334.460 4.698 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366456 XZNGOEFIQGQWSR-VWJHMYNMSA-N 326.480 4.890 30 40 EJEB CCCCCS(=O)(=O)[C@H]1CCCCCCCCCC/C1=N/O 101511654 SXFRUCNJSPEDNX-HMNTXPNISA-N 331.522 4.705 30 40 EJEB CCCCCCCCCC[C@@H](C(=O)Oc1ccc(O)cc1)N(C)C 105006690 LGSPEBVZKPPXKM-IBGZPJMESA-N 335.488 4.759 30 40 EJEB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cc1C#N 225825368 ORMORRYXSRMNSP-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3)c2C)cc1 408742451 OYQIBFITAGHROR-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB N#Cc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C#N)cc1 65667 MZCHJWQINKYXJS-RYQLWAFASA-N 334.382 4.931 30 40 EJEB Cc1cccc([C@H](C#N)c2nc3ccccc3nc2C(F)(F)F)c1 1382056 KBSMMFJXDNUTJH-ZDUSSCGKSA-N 327.309 4.613 30 40 EJEB CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]1(C)OC3=CC(=O)C(O)=CC3=C[C@@H]12 3874818 LOCMLXSTDCXZFJ-UYWIDEMCSA-N 328.452 4.853 30 40 EJEB N#C[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@H]21 5694072 LRFWRFJDCUXCJN-PZJWPPBQSA-N 345.471 4.673 30 40 EJEB COc1ccccc1/C=N/OC(=O)Nc1ccc(Cl)c(Cl)c1 6849001 IVMOXEXFQHZEMR-GIJQJNRQSA-N 339.178 4.585 30 40 EJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OCC 6959298 LEKSJVCBVVLYMC-FYJGNVAPSA-N 343.810 4.510 30 40 EJEB C=CCNCc1ccc(-c2ccc(Br)cc2Cl)o1 20875656 LLQIDXWYLGUHPM-UHFFFAOYSA-N 326.621 4.638 30 40 EJEB O=C(O)c1ccc(COc2ccccc2/C=N/Cc2ccccc2)cc1 408961031 PZUIOCWQVMXGNJ-HZHRSRAPSA-N 345.398 4.583 30 40 EJEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1Cl 409102703 FAJMQRIMCYJZTP-MTJSOVHGSA-N 349.261 4.889 30 40 EJEB O=C(COc1ccccc1)N(O)c1ccc(/C=C/c2ccccc2)cc1 1703983 ZQKKCHBZCHWCIC-VAWYXSNFSA-N 345.398 4.658 30 40 EJEB O=C1/C(=C/c2ccc(OCc3cscn3)cc2)Cc2ccccc21 25061119 LHKTUSIUGQHXOO-CXUHLZMHSA-N 333.412 4.545 30 40 EJEB O=C1C2=C(Nc3nc4ccccc4n3[C@H]2c2ccccc2)c2ccccc21 51367089 XARFSZAXZZBZLJ-NRFANRHFSA-N 349.393 4.659 30 40 EJEB CC(C)Oc1ccc(C/N=C/c2cc(Br)ccc2O)cc1 57412000 RMJFVBNOOSDUQG-YBFXNURJSA-N 348.240 4.561 30 40 EJEB C/C(C(=O)c1ccc(Cl)cc1)=C1/Nc2ccc(Cl)cc2NC1=O 104238402 DFHKRPVUSSIVCQ-DHDCSXOGSA-N 347.201 4.514 30 40 EJEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccccc2F)cc1 225888539 ALEOTPSRVGDRLT-UHFFFAOYSA-N 337.423 4.589 30 40 EJEB COc1ccc2c(c1)Cc1sc(/N=C\c3sccc3C)nc1-2 409049086 WCMKCSPHFYHSBI-NVMNQCDNSA-N 326.446 4.843 30 40 EJEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Cl)c1O 408740001 HMPAIOAJSKLQAZ-AWQFTUOYSA-N 346.839 4.617 30 40 EJEB O=C1ON(c2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccccc1 540608 RAOINHTZOICECU-LJQANCHMSA-N 334.350 4.903 30 40 EJEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1932250 WADKMTSCEMBLDU-UHFFFAOYSA-N 342.489 4.538 30 40 EJEB C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714801 VCNAWJYTNWVLBP-UHFFFAOYSA-N 344.393 4.825 30 40 EJEB Cc1csc(-c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)n1 15140640 MJXJEIZSOSZHDX-UHFFFAOYSA-N 337.360 4.691 30 40 EJEB C=C1CCC[C@]2(C)[C@@H](OC(=O)C[C@H](C)CC)C[C@H](C(=C)C(=O)O)C[C@@H]12 49180772 QVSFEOQJKPOOHP-UZXPACTOSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro C[C@@H]1CCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)csc2C1 78735975 ZKRBVCBTYHDTHR-DGCLKSJQSA-N 336.416 4.504 30 40 EJEB CCN(CC)CN1C(=O)/C(=N\c2ccc(C(C)C)cc2)c2ccccc21 100191339 GGOAIMTWDHJPIZ-LNVKXUELSA-N 349.478 4.577 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118929510 ZJTSNYHPKIGSEQ-TYGQNADFSA-N 328.496 4.970 30 40 EJEB N#CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl 1665931 FUCQEDXGOJIFJO-UHFFFAOYSA-N 334.206 4.946 30 40 EJEB Cn1c(Cl)c(/C=N/OC(=O)c2ccccc2Cl)c2ccccc21 4051489 PMMKGYYYYJGQCO-KEBDBYFISA-N 347.201 4.676 30 40 EJEB Clc1cnc(N/N=C/c2ccc(Br)cc2)c(Cl)c1 4499635 SOAJXFLTSWMYND-UBKPWBPPSA-N 345.027 4.597 30 40 EJEB Cc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 5268026 UDNAZNYQEHBXHE-UHFFFAOYSA-N 338.476 4.687 30 40 EJEB C/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(O)cc1 7065077 FZCDCRNMALYBQA-CIAFOILYSA-N 325.799 4.738 30 40 EJEB O=C1/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)Sc2ccccc21 16450581 WQHCWYNOXGTKKS-WOJGMQOQSA-N 348.379 4.974 30 40 EJEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCc1cccs1 96346294 IUVGKBHFCLEIHK-HOTGVXAUSA-N 335.432 4.533 30 40 EJEB COC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c1 113860268 YLVJRMXJMMFEGH-ZRDIBKRKSA-N 332.355 4.629 30 40 EJEB C=CCn1c(C)c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc21 409018333 ULSJPYTXIZERGF-GZTJUZNOSA-N 340.448 4.580 30 40 EJEB Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(C(=O)O)cc1 409242860 PJHMOVXVPPKCCL-CIAFOILYSA-N 338.794 4.888 30 40 EJEB N#Cc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 1565504745 ZUESSQKRLVYYHC-UHFFFAOYSA-N 346.352 4.841 30 40 EJEB N#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCCCC2 2737023 KSULHPFICZBXLB-MDZDMXLPSA-N 326.421 4.524 30 40 EJEB CCCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1 12419788 CGWRQKKCAXAJMV-MNDPQUGUSA-N 349.430 4.990 30 40 EJEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(O)cc1 18172921 HNOGJIVCJQTOQX-HXUWFJFHSA-N 334.419 4.614 30 40 EJEB COc1cccc2cccc(/C=N/c3cccc(/C=C/C(=O)O)c3)c12 36181927 ZZRDXWQJNWMTMN-DVBYBJGBSA-N 331.371 4.697 30 40 EJEB CSc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1C#N 138246320 SBPJHILPWCPDQO-UHFFFAOYSA-N 342.427 4.657 30 40 EJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(Cl)c1 408750089 XHPVIUSKHQHVAX-RIYZIHGNSA-N 349.242 4.885 30 40 EJEB N#Cc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc1 1565672462 CETTUCRMLCRPCF-UHFFFAOYSA-N 329.215 4.550 30 40 EJEB COC(=O)c1ccccc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 14134482 LJZNZRCOIREXNH-SSDVNMTOSA-N 348.358 4.565 30 40 EJEB Cc1ccc(Cn2c(C#N)cc(N)c2Oc2cc(C)ccc2C)cc1 225885236 ZYADVJKIOVDWRL-UHFFFAOYSA-N 331.419 4.708 30 40 EJEB Cc1oc(C(C)C)cc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 331389530 DNVYXADSHKGSOJ-RBUKOAKNSA-N 336.435 4.623 30 40 EJEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)O)c1 408962535 YYTWBTBOZMSBEA-MTJSOVHGSA-N 342.826 4.697 30 40 EJEB C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cc3ccccc3cc2O)C1 173946 NBFSKQNISYOHDF-OAHLLOKOSA-N 334.419 4.564 30 40 EJEB N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2 2765830 RMONXVYIYWHKFM-CVEARBPZSA-N 336.460 4.631 30 40 EJEB CCCCC#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 3997445 YQLBXQZOMOMJBQ-UHFFFAOYSA-N 347.867 4.683 30 40 EJEB COc1ccc2cc(C(=O)/C=C/c3ccc(NC(C)=O)cc3)ccc2c1 5128965 SSGNUMTWCSEALO-LFYBBSHMSA-N 345.398 4.703 30 40 EJEB COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OC)c1 5785961 DBFYKNLFIQTBTR-CJLVFECKSA-N 332.403 4.876 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1O 8376900 CJHMCHFFEAPUBJ-FBCYGCLPSA-N 344.676 4.723 30 40 EJEB CCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc2ccccc23)c(C)c1 16678177 PGTLXGJLECMDTM-LSDHQDQOSA-N 345.450 4.549 30 40 EJEB COc1ccccc1CN/N=C/c1c(OC(C)C)ccc2ccccc12 20762204 VXVGNJDMTVOQGN-BUVRLJJBSA-N 348.446 4.759 30 40 EJEB O=C(Nc1cccc(/N=C/c2ccncc2)c1)c1ccccc1Cl 100384329 NJJKASVDKSVWDY-LPYMAVHISA-N 335.794 4.738 30 40 EJEB CCN(CC)c1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1 408547916 AUFHJNPVHOGGTN-KGENOOAVSA-N 326.440 4.609 30 40 EJEB Fc1cc(/C=N/c2cccc3ccccc23)ccc1N1CCOCC1 409126397 FRLVVUMOLJXUMD-HZHRSRAPSA-N 334.394 4.566 30 40 EJEB CC(C)(C)c1csc(N/N=C/c2ccccc2C(F)(F)F)n1 4616567 WYOWYARTLWNUPX-UFWORHAWSA-N 327.375 4.905 30 40 EJEB COc1c(C(=O)/C=C\c2ccc(Cl)cc2)c(O)cc2occc12 13409814 KVPPJWSRECHASD-DAXSKMNVSA-N 328.751 4.697 30 40 EJEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/C=C/c1ccccc1 16450864 NKIWWRJRKUNSDM-LVEAOLTQSA-N 340.835 4.788 30 40 EJEB C=CCNc1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N 33027070 BFCFUQVFJBOOBG-UHFFFAOYSA-N 349.390 4.600 30 40 EJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C=C1/C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 100366258 XZNGOEFIQGQWSR-FMVJEXMASA-N 326.480 4.890 30 40 EJEB COc1cccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)c1 100502982 OPZMSXBISJVUME-LPYMAVHISA-N 344.370 4.960 30 40 EJEB COc1cc(OCC=C(C)C)ccc1/C=C/C(=O)c1ccc(O)cc1 135678355 SUYNBFRQRFEKGN-YRNVUSSQSA-N 338.403 4.642 30 40 EJEB CCOc1ccc2nc3cc(/N=C\c4ccco4)ccc3c(N)c2c1 4811350 UBZYXGKCPPTJDU-UUYOSTAYSA-N 331.375 4.713 30 40 EJEB CCc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1 17071247 JFQMFQZKSTXVSI-CUNGHOPLSA-N 340.423 4.622 30 40 EJEB CO/N=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 22873200 GSUVFSXDMIDSDM-IFRROFPPSA-N 330.693 4.526 30 40 EJEB C=CCN(Cc1cn2cccc(C)c2n1)Cc1ccc(Cl)s1 32751341 WMYWRFLZFMSNOR-UHFFFAOYSA-N 331.872 4.546 30 40 EJEB Cc1ccc(-c2nnc(S[C@@H](C)C#N)nc2-c2ccc(C)cc2)cc1 3343461 XBAMTYYBMPQWCA-HNNXBMFYSA-N 346.459 4.827 30 40 EJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 4214861 YGMDGLJSAVHRSV-GRPBBMKTSA-N 344.495 4.696 30 40 EJEB biogenic,in-vitro C=C(C)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 6158575 IIQWSEDKYRWNPC-UHFFFAOYSA-N 325.412 4.742 30 40 EJEB Cc1nc2sccn2c1/C=C/C(=O)c1ccc(OCC(C)C)cc1 12628523 KGEDHLIOPBWDGR-CMDGGOBGSA-N 340.448 4.635 30 40 EJEB CCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 104206661 OUXAYARXDJUWFD-FQEVSTJZSA-N 349.515 4.726 30 40 EJEB Cc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408910594 KXFASHPMLSQLSD-LPYMAVHISA-N 332.403 4.851 30 40 EJEB C#CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OC 409111485 ARDSYGRJZAFLNX-UHFFFAOYSA-N 335.447 4.665 30 40 EJEB C[C@@H]1CCC/C(=C/Nc2ccc(Br)cc2Cl)C1=O 409179574 RKPJJOMCXSXXCS-URLRMUCDSA-N 328.637 4.787 30 40 EJEB N#CCc1ccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c(Cl)c1 529433113 FBAUINOUPMESNC-JKSUJKDBSA-N 342.801 4.677 30 40 EJEB N#Cc1cc(-c2ccccc2)nnc1SCc1ccc(Cl)cc1 1387396 SGVQECBUQKQUGE-UHFFFAOYSA-N 337.835 4.961 30 40 EJEB Cc1ccc2cc(/C=N/Nc3nc4ccccc4[nH]3)c(Cl)nc2c1 5461788 ZKRUMXFCCXBUME-KEBDBYFISA-N 335.798 4.519 30 40 EJEB COc1ccc2cc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2c1 6048134 VLJGWRKZIIRDFD-NYYWCZLTSA-N 333.343 4.653 30 40 EJEB CCc1ccc(/N=C/c2cc(OC)c(OC)cc2Br)cc1 8084445 WMTDAPSWUQRHGS-YBFXNURJSA-N 348.240 4.779 30 40 EJEB N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1C1CCCCC1 21475725 FIEPIIXZVPVKOB-UHFFFAOYSA-N 348.475 4.747 30 40 EJEB CC(C)Oc1ccccc1/C=N/n1cc(-c2ccccc2)[nH]c1=S 40161326 BZUTZGKWJWOMDR-UDWIEESQSA-N 337.448 4.882 30 40 EJEB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C 84671116 LTWQZVNMZDTDFL-LEWJYISDSA-N 344.458 4.658 30 40 EJEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)CO5 118936609 QVWIWZCMRRDQQC-SDJHNBRXSA-N 346.511 4.730 30 40 EJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(-c2ccc(C#N)cc2)o1 409021369 DPCJMFNNNZMCPK-CIAFOILYSA-N 331.331 4.786 30 40 EJEB C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCC3 2183016 ZUNJVNZPLYNKJC-UHFFFAOYSA-N 348.537 4.661 30 40 EJEB CCc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 3911137 NRINSZCALQRUBJ-VQHVLOKHSA-N 338.790 4.905 30 40 EJEB C=CCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5203968 HPWDAWBAIPWWAI-UHFFFAOYSA-N 326.465 4.581 30 40 EJEB Cc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccco3)cc2)cc1 12954387 SQTDGQOHRFSBJZ-JYRVWZFOSA-N 332.355 4.703 30 40 EJEB CC(C)(c1ccc(OCCC#N)cc1)c1ccc(OCCC#N)cc1 141558138 AWLHZMMQNPZLMS-UHFFFAOYSA-N 334.419 4.597 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]23CO3)C1 253501308 PQMPPACKUYBMIW-ZVZGYBOSSA-N 346.511 4.707 30 40 EJEB Cc1nc(N/N=C/c2cccc(OCc3ccccc3)c2)sc1C 409072703 DAMQNYALLYHLFI-UDWIEESQSA-N 337.448 4.785 30 40 EJEB CC(C)/N=C1\S/C(=C/c2c(F)cccc2Cl)C(=O)N1C(C)C 409200089 GSBQBNKLVQIWMV-GDUWUPNNSA-N 340.851 4.568 30 40 EJEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2)c1 409215043 ZHFDGFMCKSALKA-HZHRSRAPSA-N 344.414 4.763 30 40 EJEB N#CCCN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 3244446 YPZVMBHHUBMQNG-UHFFFAOYSA-N 344.867 4.520 30 40 EJEB N#Cc1c(C(F)(F)Cl)cc(-c2ccc(C(F)(F)F)cc2)nc1O 4002946 CVYDXTHTJNBDJO-UHFFFAOYSA-N 348.658 4.633 30 40 EJEB COc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 8469554 ZRBHNLZWDHUTRG-CAOOACKPSA-N 325.151 4.661 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/CC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 100528674 NJCJAKASTATRHD-MCAIWDLASA-N 332.831 4.592 30 40 EJEB O=C(O)COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 409210873 LIBSYEVQBKWSDT-HMAPJEAMSA-N 347.370 4.693 30 40 EJEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(F)(F)F)c2C#N)C1 2749089 HSNQGAACGGYDRH-SECBINFHSA-N 344.402 4.662 30 40 EJEB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/Nc1ccccc1 4416755 DXUIOIRFFVADIJ-DYXVEQEQSA-N 342.398 4.751 30 40 EJEB COc1ccc(/C(=N/Nc2ccccc2)c2ccc(C)cc2)c(O)c1 5793920 GWIINPZENXDOFQ-XTQSDGFTSA-N 332.403 4.574 30 40 EJEB O=C1/C(=C/c2ccco2)Oc2cc(OC/C=C/c3ccccc3)ccc21 9052183 ORSHCLMWDKCYND-DCLOOSSNSA-N 344.366 4.988 30 40 EJEB N#Cc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 12999310 UOZPAWMBBOHMSX-UHFFFAOYSA-N 338.457 4.524 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 65749528 ZDDXWVZDVOPNDT-OAHLLOKOSA-N 327.449 4.512 30 40 EJEB CC(C)(C)OC(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1 95428641 HXWSZFLDQOSCOK-UHFFFAOYSA-N 329.425 4.579 30 40 EJEB N#Cc1ccc(-c2ccc(OC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 102246091 VYGQURGZXJKNMK-VDGAXYAQSA-N 331.415 4.957 30 40 EJEB COc1ccc(/C=N/CC23CCC4C[C@H](C[C@@H](C4)C2)C3)c(OC)c1 102583900 LKOZLBTWDRHVLC-WSXCAWOOSA-N 327.468 4.729 30 40 EJEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(C(C)(C)C)cc1 108654008 AHVWGNVIGXVWOZ-PQPQYNOBSA-N 337.492 4.862 30 40 EJEB Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881835 RWRSXBGOIQJMIL-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB Cc1ccc(N/N=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 408727769 XMZNUUJMSVPDCF-NMWGTECJSA-N 328.371 4.514 30 40 EJEB Cc1[nH]c(=N)c(C#N)c(-c2ccc(OC(C)C)cc2)c1-c1ccccc1 408980504 RNGLCASOTWPWJZ-UHFFFAOYSA-N 343.430 4.795 30 40 EJEB CCC(C#N)(CC)C(=O)Nc1ccc(SCc2cccnc2)cc1 585123215 BIIHMIOBPJMGGF-UHFFFAOYSA-N 339.464 4.642 30 40 EJEB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C1 35646 GPCBCWHUOZAYNE-JTQLQIEISA-N 330.840 4.650 30 40 EJEB Clc1cccc(N/N=C/c2cccc(OCc3ccccc3)c2)n1 4616527 HVXOMLSAIGRDEW-FYJGNVAPSA-N 337.810 4.760 30 40 EJEB Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 5617840 NERKTQZFNARWSS-YJHNQBKESA-N 337.394 4.595 30 40 EJEB C[C@@H]1CCc2c(sc(/N=C/c3c[nH]nc3-c3ccccc3)c2C#N)C1 18189808 JEHUJOKYLPOOJX-XIJPWPHISA-N 346.459 4.885 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccccc2C)cc1 225758731 IWGSLXWHVUHUAK-LJQANCHMSA-N 340.492 4.998 30 40 EJEB C[C@H]1C[C@H](C)CN(c2oc(-c3cccc4ccccc34)nc2C#N)C1 546093 JVYXTMIZQPVKBJ-GJZGRUSLSA-N 331.419 4.849 30 40 EJEB C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 3861510 FRCNDHZJYALSFS-IJDPAOOOSA-N 328.496 4.539 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 5434411 UZROOFLUFHWOJQ-ADDDSGAWSA-N 332.459 4.672 30 40 EJEB biogenic,in-vitro CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1O 6958610 GQLDTYVYXKAFNS-VXLYETTFSA-N 348.240 4.921 30 40 EJEB C=C(C)Cn1c(SCc2ccccc2C)nnc1-c1ccncc1 16788589 XAGZHKOIHZPYKH-UHFFFAOYSA-N 336.464 4.517 30 40 EJEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1c(F)cccc1F 29206690 HXCHPDHDJPYYED-UHFFFAOYSA-N 339.366 4.678 30 40 EJEB CC(C)c1cnc(SCCCC2(C#N)CCOCC2)n1C(C)C 252480048 BSXIYTYCPRSTMF-UHFFFAOYSA-N 335.517 4.780 30 40 EJEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2C)C(=O)N1C 408907953 CRTLHSGQNFIOJO-BIXZQSIESA-N 336.460 4.791 30 40 EJEB CCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 2088310 KCFGDMDBACYWHO-UHFFFAOYSA-N 326.824 4.729 30 40 EJEB C[C@@H]1CCCN(c2oc(Cc3cccc4ccccc34)nc2C#N)C1 27742787 AARPVWCSUGZXPR-OAHLLOKOSA-N 331.419 4.527 30 40 EJEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366262 XZNGOEFIQGQWSR-NNXHKIKMSA-N 326.480 4.890 30 40 EJEB CCCCCCCCCCOc1ccc(N2C(=O)C=CC2=O)cc1 103007528 PDRWUVWDUXFHMY-UHFFFAOYSA-N 329.440 4.636 30 40 EJEB CCN(CC)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 174009 BOJNTKDIXKWTAY-YBFXNURJSA-N 347.802 4.551 30 40 EJEB O=C(O)c1cc(N/N=C/C(Cl)=C/c2ccccc2)ccc1Cl 3220069 RHCYWSAWAFHLEL-BSHSOUCVSA-N 335.190 4.716 30 40 EJEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2Cl)S1 5550908 JLTDLKWIEKCWDJ-WJDWOHSUSA-N 342.851 4.794 30 40 EJEB CCCc1n[nH]c(SCc2ccc(-c3ccccc3C#N)cc2)n1 22417720 RGHQPYOTXDDTMG-UHFFFAOYSA-N 334.448 4.588 30 40 EJEB CCCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(Cl)cc1C#N 4550676 MYKWUBUUIVVATC-SFHVURJKSA-N 339.826 4.578 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4551219 CXVQBLOKJFKIHI-KGENOOAVSA-N 347.374 4.620 30 40 EJEB N#Cc1c(NCc2ccncc2)nc(-c2ccccc2)c2c1CCCC2 20591555 BQNMGFGKHKYCQP-UHFFFAOYSA-N 340.430 4.506 30 40 EJEB Cc1ccc(/N=C2\S/C(=C/c3sccc3C)C(=O)N2C)cc1 408906083 AIVXFMMFEDVOGI-RUCSPORFSA-N 328.462 4.599 30 40 EJEB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1C 606422254 HSHOYUOMAHYDAZ-UHFFFAOYSA-N 331.419 4.898 30 40 EJEB Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 5617848 NERKTQZFNARWSS-JUGSVMCGSA-N 337.394 4.595 30 40 EJEB N#Cc1ccc(-c2ccc(OC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 102246097 VYGQURGZXJKNMK-FFZOFVMBSA-N 331.415 4.957 30 40 EJEB Cc1nc(SCCCC(=O)c2ccc(F)cc2)c(C#N)c(C)c1C 5089352 QKQXJDNMUVDVDP-UHFFFAOYSA-N 342.439 4.773 30 40 EJEB C=CCSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1 5480648 KBECLAABBFQIAI-UHFFFAOYSA-N 326.446 4.842 30 40 EJEB N#Cc1cc2c(=O)c3ccccc3oc2nc1-c1cc2ccccc2o1 6585775 LLYHPJFVRQRELB-UHFFFAOYSA-N 338.322 4.626 30 40 EJEB COc1ccc(-c2cc(CSCc3ccc(C#N)cc3)on2)cc1 24842747 AARNJWVHNPOURV-UHFFFAOYSA-N 336.416 4.655 30 40 EJEB CCOc1ccc(Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 96346057 DBHIOJJMYGKNKW-ROUUACIJSA-N 345.402 4.960 30 40 EJEB Cc1ccc(NC=C2C(=O)CC(c3cccc(Cl)c3)CC2=O)cc1 5484545 HIYXYRTVKRNTNP-UHFFFAOYSA-N 339.822 4.660 30 40 EJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 40139512 AEGLOYMOCUIURD-CMDGGOBGSA-N 326.808 4.755 30 40 EJEB Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)c1 225880140 LTWCUPAVHDTJJV-UHFFFAOYSA-N 337.810 4.744 30 40 EJEB C#CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OC 409112442 CUCPHEMIRILWPI-UHFFFAOYSA-N 329.827 4.535 30 40 EJEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O 1008400 SXYGBCZXKVKOAF-OKHBPPCESA-N 343.379 4.697 30 40 EJEB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)o3)c2C#N)C1 2737003 PAGLLPDVNALRLH-XOVSCCBYSA-N 340.448 4.688 30 40 EJEB C=C(Cl)CSc1nnc(Nc2ccccc2OCC)s1 6510342 PFJSZHPCOOPACH-UHFFFAOYSA-N 327.862 4.525 30 40 EJEB COc1ccc(/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 12420338 VAWBYKZEESYJCB-ATJXCDBQSA-N 337.382 4.788 30 40 EJEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc(C)c1 16711387 MTLDFUJTZXTKAN-MRCUWXFGSA-N 336.460 4.952 30 40 EJEB COc1cc(/C=C/C(=O)c2ccccc2C)cc(OC)c1OC(F)F 32665933 UIEUCBBLDYGEJT-CMDGGOBGSA-N 348.345 4.510 30 40 EJEB CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@H]12 118932950 HMVLGFGCMLJNDB-NYJBGGDBSA-N 330.512 4.761 30 40 EJEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccccc3F)nc1-2 408721969 BURMVNUOBLAPEY-AWQFTUOYSA-N 340.379 4.601 30 40 EJEB CC(C)Oc1ccccc1/C=N/NCc1c(Cl)cccc1Cl 9196736 COJHCLCTBPDRJM-KEBDBYFISA-N 337.250 4.904 30 40 EJEB N#Cc1nc(CCC2CCCCC2)oc1N1CCc2ccccc2C1 96346480 VSESVRLYZKRIFE-UHFFFAOYSA-N 335.451 4.622 30 40 EJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 222959667 JGWCWOBFLTXHTI-IBGZPJMESA-N 339.435 4.664 30 40 EJEB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225803004 BITQCNZGEAVGEA-YWZLYKJASA-N 346.471 4.659 30 40 EJEB CCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1c(C)cccc1C 408910290 JLPQTPQHNBJNKM-DCOUVPPESA-N 342.489 4.989 30 40 EJEB C=CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 6652514 DIDLJSFNVPRBHK-UHFFFAOYSA-N 342.851 4.626 30 40 EJEB N#Cc1cccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 7990083 BPROGBUIDUAYPD-UHFFFAOYSA-N 346.361 4.529 30 40 EJEB CSc1nc(N[C@H](C)c2ccccc2)c(C#N)c(-c2ccccc2)n1 15831980 VBKWJENHCMEXBH-CQSZACIVSA-N 346.459 4.910 30 40 EJEB C/C(=N\NC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 72433973 PAGRFSVJWZQHLZ-FYJGNVAPSA-N 327.497 4.565 30 40 EJEB C[C@H]1CCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)csc2C1 78735981 ZKRBVCBTYHDTHR-WCQYABFASA-N 336.416 4.504 30 40 EJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 408739797 FSUKOKQORSLVGW-DEDYPNTBSA-N 340.427 4.964 30 40 EJEB N#Cc1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 409168868 NIIRQPHUZVRIIY-UFFVCSGVSA-N 332.375 4.851 30 40 EJEB C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2cc3ccccc3cc2O)C1 173950 NBFSKQNISYOHDF-HNNXBMFYSA-N 334.419 4.564 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3c3ccccc23)cc1 4794707 ZWLGUDYAJSCZGN-FYJGNVAPSA-N 342.358 4.742 30 40 EJEB Cc1nc(N/N=C/c2cccnc2)c2cc(-c3ccccc3)sc2n1 6685303 FOFFNTKFTKRCIF-CIAFOILYSA-N 345.431 4.508 30 40 EJEB C/C(=N\N=c1\sc2ccccc2n1C)c1cccc(C(F)(F)F)c1 35363511 PHKCQPYXXPXJBO-ZDHFGRQBSA-N 349.381 4.584 30 40 EJEB O=C1C(O)=C/C(=N\c2ccc(F)c(C(F)(F)F)c2)c2ccccc21 100286573 MCPUEUSNJOEBDA-HYARGMPZSA-N 335.256 4.604 30 40 EJEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 216847529 DIOQSVPLFNTXCJ-UHFFFAOYSA-N 337.202 4.915 30 40 EJEB N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2 2765828 RMONXVYIYWHKFM-HZPDHXFCSA-N 336.460 4.631 30 40 EJEB COc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O 3098646 HCFXXSMPAZKARX-LPYMAVHISA-N 344.370 4.960 30 40 EJEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(C)(C)C)cc1 7606221 WWZXFLHHSODGLG-LIRRHRJNSA-N 332.513 4.519 30 40 EJEB C=CCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 8254519 JJQREZWNVCHKJM-UHFFFAOYSA-N 331.843 4.593 30 40 EJEB FC(F)Oc1ccccc1/C=N/Nc1ccnc2cc(Cl)ccc12 12568164 PUZLWHLIKHZUCM-LSHDLFTRSA-N 347.752 4.936 30 40 EJEB O=C(/C=C/c1cccc2ccccc12)c1cccc(N2CCOC2=O)c1 60203644 DZDPUVUWDGHOTQ-VAWYXSNFSA-N 343.382 4.693 30 40 EJEB COc1ccc(/N=C2/c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 102096081 POYVRXKSUUEESG-DDYOIZNJSA-N 327.383 4.796 30 40 EJEB CSc1ccc(C=Nn2c(C3CCCCC3)n[nH]c2=S)cc1 254705382 XPAPDICCWRYZLL-UHFFFAOYSA-N 332.498 4.592 30 40 EJEB C=CCOc1ccc(CNc2ccc(F)cc2)cc1Br 409195930 SUPNVRKPQWCAJP-UHFFFAOYSA-N 336.204 4.765 30 40 EJEB CCc1ccc2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1 411058 WHJCCAIRDIPSKC-UHFFFAOYSA-N 332.428 4.644 30 40 EJEB CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 4862848 AMARTHKWEQBHBL-YBFXNURJSA-N 327.840 4.934 30 40 EJEB CCN(CC)CC[C@@]1(C#N)Cc2ccccc2N(CC)c2ccccc21 5389806 WLPBPDGAOMFFBF-QHCPKHFHSA-N 347.506 4.894 30 40 EJEB N#C[C@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1O 11525767 NYPAPXFYOSDURV-BTYSMDAFSA-N 335.451 4.507 30 40 EJEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C 17070662 FWVSNRDKVPLHIP-UHFFFAOYSA-N 335.476 4.656 30 40 EJEB N#Cc1c(F)cccc1NCc1ccc(Oc2cccnc2)c(F)c1 58421263 OKFBUTMTMDCXMN-UHFFFAOYSA-N 337.329 4.636 30 40 EJEB CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C/C(=C/O)C1=O 137387919 TTXFXDNREBBNTM-JCTRDAAHSA-N 344.495 4.711 30 40 EJEB in-vitro COC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)c1 408691800 QOLQBLWAWOYIPH-ZRDIBKRKSA-N 346.382 4.938 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)ncn3-c2ccccc2)c1 255266 CLKMPJCHXAPNFI-FYJGNVAPSA-N 342.358 4.684 30 40 EJEB CCCOc1ccc(/C=N/c2ccc(OC)cc2)cc1Br 6941727 JTTAINPASDQULU-XDHOZWIPSA-N 348.240 4.997 30 40 EJEB C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3cccc(C)c3)cc21 27460971 KDEXQLHKBCMVCP-UHFFFAOYSA-N 349.430 4.993 30 40 EJEB Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(OCc2ccccc2)cc1 85396871 BKJVRJWFTOEZKS-UHFFFAOYSA-N 344.414 4.770 30 40 EJEB COc1cccc(NC2=C(C(=O)c3ccccc3)C(=O)CC(C)(C)C2)c1 100160987 NFNSRDFOEPSRBC-UHFFFAOYSA-N 349.430 4.633 30 40 EJEB CCCC(=NOCC)C1=C(O)C[C@@H](C[C@H](C)SCC)CC1=O 257351220 CSPPKDPQLUUTND-QWHCGFSZSA-N 327.490 4.502 30 40 EJEB Cc1ccc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1Cl 408812222 CVBGHLLMYDFAHI-UWVJOHFNSA-N 338.190 4.516 30 40 EJEB COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409052819 ATJNWVDETUBHLX-CAOOACKPSA-N 325.151 4.661 30 40 EJEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1C(C)(C)C 409089503 NYAZQRPJRFCFKZ-LSFURLLWSA-N 338.377 4.720 30 40 EJEB Cn1ccc2c(NC(=O)Nc3ccccc3)c3ccccc3c(C#N)c21 1397376 GCYJWXWZUTVYPZ-UHFFFAOYSA-N 340.386 4.847 30 40 EJEB CCc1ccc([C@@H](NC(=O)c2cccc(C#N)c2)c2cccs2)cc1 8062306 RJXGDSRWCGOKRH-HXUWFJFHSA-N 346.455 4.702 30 40 EJEB C=CCSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 219809310 XIDRFUGQJLQIJA-MRXNPFEDSA-N 325.477 4.716 30 40 EJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C)c(C)c1 409094308 DDOFPCRCHZPHSR-HYARGMPZSA-N 338.451 4.671 30 40 EJEB O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(Br)cc1 4695795 DVZIOCNFAKCQMB-JXMROGBWSA-N 326.193 4.827 30 40 EJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 5378020 VVAOHMGBAKHHAW-DEDYPNTBSA-N 334.331 4.843 30 40 EJEB CC(C)OC(=S)Nc1ccc(Cl)c(/C=N\OC(C)(C)C)c1 5811797 RCXQHLSNKCYCLP-MFOYZWKCSA-N 328.865 4.611 30 40 EJEB investigational CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1O 6627122 KSQFKTRNDPYWSL-XVNBXDOJSA-N 337.202 4.994 30 40 EJEB Cc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1 21006034 YBULHSZVURAKBR-UZYVYHOESA-N 335.428 4.860 30 40 EJEB N#C[C@@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1O 102665424 NYPAPXFYOSDURV-JWWGGVBKSA-N 335.451 4.507 30 40 EJEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C#N)c1 225848328 ANDXOTBZNAPGNF-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 109685 RTPSHVGPBLTBLA-FQEVSTJZSA-N 342.398 4.505 30 40 EJEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 4838952 AONOLVICTNQFDG-GORDUTHDSA-N 335.186 4.661 30 40 EJEB Cc1cc(C)c(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)c1 16267172 HPHUQFWZBMQBPC-YVLHZVERSA-N 340.423 4.643 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 216387592 ONWBMXMCOGXLOG-IBGZPJMESA-N 339.435 4.664 30 40 EJEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1O 409109657 IUVOCRXRXSBXGJ-UHFFFAOYSA-N 327.424 4.530 30 40 EJEB C#CCOc1ccc(Br)cc1-c1nc2ccccc2s1 409193061 HQXZSHKMIDOHFY-UHFFFAOYSA-N 344.233 4.738 30 40 EJEB O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)Cl 575243160 UJSADSXGQOKCFZ-UHFFFAOYSA-N 326.570 4.739 30 40 EJEB Cc1ccc([C@H](C#N)C(=O)CCCC(=O)Nc2ccc(C)c(C)c2)cc1 1613955 BMXOHUJWEDTOIR-FQEVSTJZSA-N 348.446 4.597 30 40 EJEB Cc1ccc([C@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1706532 HIKGKLNLJZQJOC-WOJBJXKFSA-N 344.476 4.735 30 40 EJEB CCc1ccc(/N=C2\CCCN2C(=O)Nc2cccc(OC)c2)cc1 16778103 BURRBRFZQOBQRE-XUTLUUPISA-N 337.423 4.616 30 40 EJEB O=C1/C(=C\c2ccc(O)cc2)CC[C@H]1CNc1ccc(Cl)cc1 17198845 KRNGWPMSMWJZKZ-SZGZABIGSA-N 327.811 4.520 30 40 EJEB CN(Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 57758752 PZUCOWFPNCFPKU-QFIPXVFZSA-N 330.406 4.919 30 40 EJEB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)c(C#N)c1 225825661 ZJTPNQRZTVYZNH-HXUWFJFHSA-N 346.471 4.661 30 40 EJEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 66936 TXCHRCYRLITQHS-KIHMUJGBSA-N 340.448 4.512 30 40 EJEB Cc1ccc(/N=C/c2cc3c(cc2Br)OCO3)c(C)c1 268358 IJGWBNCZOPDZOD-QGMBQPNBSA-N 332.197 4.545 30 40 EJEB N#Cc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 3196129 IYANFMAUQIOFGV-UHFFFAOYSA-N 349.217 4.663 30 40 EJEB Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9195954 VFWBCIFPTASFIX-AWQFTUOYSA-N 332.234 4.609 30 40 EJEB C=C(Br)[C@@](F)(CC(F)(F)C(F)(F)F)C(F)(F)F 100502128 DOXKLBHEFKYSES-BYPYZUCNSA-N 338.995 4.753 30 40 EJEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1/C[C@@H]3CC[C@]1(C)C3(C)C)CC2=O 100867568 SFECAJQDNFQEIJ-PJRHEHPOSA-N 345.483 4.517 30 40 EJEB COC(=O)c1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 4921443 IAGBSVJRQPXNIV-XQNSMLJCSA-N 344.414 4.514 30 40 EJEB COc1cccc(-n2c(-c3ccccc3)cnc2S[C@H](C)C#N)c1 5263694 FGZHMTLUOPSVDS-CQSZACIVSA-N 335.432 4.552 30 40 EJEB CNC(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 12911641 DILKUKXSUGUMQN-CXUHLZMHSA-N 341.410 4.609 30 40 EJEB N#C[C@]12CCCC[C@H]1C[C@H]1CCCC[C@]1(C#N)N2c1ccccc1O 13509635 NYPAPXFYOSDURV-HRQSHJORSA-N 335.451 4.507 30 40 EJEB CN(C)c1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1 16186378 WQLMTASFRNDMRQ-HZHRSRAPSA-N 340.430 4.900 30 40 EJEB COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 18197222 YECQCNQCUPDLTI-NRFANRHFSA-N 349.430 4.577 30 40 EJEB CCCCCCc1ccccc1[C@@H](O)CC#CCCCC(=O)OC 83433957 FNBRCMZPPJUPTO-FQEVSTJZSA-N 330.468 4.580 30 40 EJEB Cc1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408855929 HKXSGRLTZGNTKK-WQRHYEAKSA-N 333.229 4.701 30 40 EJEB Oc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409010610 CNHOKGAEGGEPNY-XDHOZWIPSA-N 341.208 4.696 30 40 EJEB CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1 551025 FGJJXBGAJHEEMU-UHFFFAOYSA-N 347.237 4.556 30 40 EJEB COc1cc2c(cc1NC(=O)C1(C#N)CCCC1)oc1ccccc12 7334491 NMLBNVBNXDNODW-UHFFFAOYSA-N 334.375 4.617 30 40 EJEB O=C(/C(Cl)=C/Nc1ccc(SC(F)F)cc1)C(F)(F)F 105893561 MOYREWRBUBSPPQ-YVMONPNESA-N 331.693 4.625 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 216889077 GCLSQWVSWGZWKY-CSKARUKUSA-N 346.785 4.801 30 40 EJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1 222887291 HNCDJXCPWVCVNS-HXUWFJFHSA-N 339.435 4.610 30 40 EJEB Cc1ccccc1N(C)/N=C1/C=C(c2ccc3ccccc3c2)OC1=O 408725370 OIKPKBOIHAWDBG-NMWGTECJSA-N 342.398 4.538 30 40 EJEB C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 595045955 WQMBBTXTOMOUNU-SJCJKPOMSA-N 327.378 4.619 30 40 EJEB CC1=C(Cl)C(=O)C(Cl)=C(C)C1=NC(=O)c1ccc(Cl)cc1 16779965 RRMCHEIVLQNFGZ-UHFFFAOYSA-N 342.609 4.530 30 40 EJEB O=C(/C(=C/c1ccccc1)c1nc2ccccc2o1)c1cccnc1 26770735 DNUUZCRUELDWIB-LGMDPLHJSA-N 326.355 4.646 30 40 EJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(F)c3)o2)c1 408594658 UPUOXRYPRSUDLA-RGVLZGJSSA-N 340.310 4.545 30 40 EJEB CCCCO[C@@H](C)OCCCC(F)(F)C(F)(F)C(F)(F)F 1772820744 ZQGNWGXSXYUWPO-SECBINFHSA-N 328.268 4.779 30 40 EJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 428104 AAFCZIVLTILZBR-IRLDBZIGSA-N 348.442 4.623 30 40 EJEB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CCC2 4031685 BSDICJRRLOBTBP-UHFFFAOYSA-N 348.427 4.523 30 40 EJEB CC1(C)CC(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)C1 5689822 IPDXOIFHNKRZNB-UHFFFAOYSA-N 334.419 4.684 30 40 EJEB N#Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C#N 13481388 GKXPEJISVXRJBA-UHFFFAOYSA-N 340.382 4.588 30 40 EJEB COc1ccc(/C(=N\N=C(\c2ccc(OC)cc2)C2CC2)C2CC2)cc1 18129284 WJIJXVOUYCVYJC-MMUCEYJRSA-N 348.446 4.717 30 40 EJEB Clc1cccc(/C=N/c2ccc(I)cc2)c1 268167 LSSBDZVOJMIKHW-CXUHLZMHSA-N 341.579 4.695 30 40 EJEB O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)cc1 504016 CGGKVABQIJVMHH-FYJGNVAPSA-N 342.358 4.660 30 40 EJEB COc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 4675669 BIEUCRLMQHYJES-CIAFOILYSA-N 335.359 4.712 30 40 EJEB CCCCCCC[C@](O)(CCN1CCCCC1)c1ccc(O)cc1 98048923 JXTZUCWFMHMHGD-NRFANRHFSA-N 333.516 4.816 30 40 EJEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(C)C1=O 100299535 WPYPTDXHCKHHJZ-LMDBJESCSA-N 347.443 4.710 30 40 EJEB CCCCCCCCCCCCCCNC(=O)[C@@H](C)OC(C)=O 104394543 RHIOEWRDQLPMFZ-QGZVFWFLSA-N 327.509 4.755 30 40 EJEB N#CCc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225852946 HHYIEYVRWMWMFS-UHFFFAOYSA-N 335.476 4.509 30 40 EJEB CN(C)c1ccc(/C=N/c2cccc(C(=O)c3ccccc3)c2)cc1 138739 SMAPBRDZKCZOCG-XQNSMLJCSA-N 328.415 4.734 30 40 EJEB Cc1sc(NC(=O)c2cc(Cl)sc2Cl)c(C#N)c1C 4570346 VYRBFJOZAZIBAB-UHFFFAOYSA-N 331.249 4.857 30 40 EJEB COc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O 5273466 TUWHACHHSHPYTB-HYARGMPZSA-N 333.387 4.730 30 40 EJEB COC(=O)c1ccc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)cc1 6897836 SLYNTXGXVKRYGI-LFYBBSHMSA-N 346.382 4.531 30 40 EJEB CCOc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)ccc1O 16407388 HCZLZDDFSKMKCZ-SOFGYWHQSA-N 336.309 4.706 30 40 EJEB COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)ccc1OC(F)F 24717893 KBDNKFADTZXIDX-VMPITWQZSA-N 348.345 4.510 30 40 EJEB CC(=O)C1=C(C)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928544 CRCLPPBJMHAOFC-PSVXMLEBSA-N 330.512 4.905 30 40 EJEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccccc1 225888963 UCEBJQLTYGMOMF-UHFFFAOYSA-N 339.851 4.795 30 40 EJEB CCOC(=O)c1c(/N=C/c2ccccc2O)sc2c1CC[C@H](C)C2 411689 PXJLMWOYDOCIEO-DQAKUKQTSA-N 343.448 4.506 30 40 EJEB O=C(/C(=C\c1ccccc1)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 4994107 ITEVQCOSZIDQSW-HMMYKYKNSA-N 345.354 4.898 30 40 EJEB Cc1sc(NC(=O)c2ccc(SC(C)C)cc2)c(C#N)c1C 10253334 JVODZXXCLILTTL-UHFFFAOYSA-N 330.478 4.989 30 40 EJEB CC(C)N1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 20528795 VRUHLKTXANSXQL-AOEKMSOUSA-N 329.490 4.570 30 40 EJEB C=CCSc1ccccc1NC(=O)c1ccccc1OC(F)F 25734130 MEMVOYBJEQUEBO-UHFFFAOYSA-N 335.375 4.818 30 40 EJEB C=CCOc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 219640726 PHISCHWMSXWFHC-UHFFFAOYSA-N 337.419 4.825 30 40 EJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1C 408782935 LHHVOLOOYYGNEM-OEAKJJBVSA-N 346.430 4.940 30 40 EJEB COc1ccc2nc(/N=C/c3c(O)ccc4ccccc34)sc2c1 545694 OKAWYCYENNOONO-RGVLZGJSSA-N 334.400 4.914 30 40 EJEB C=CCn1c(SCCCC)nc2sc3c(c2c1=O)C[C@@H](C)CC3 2229766 HGXPICYSSVRZAZ-LBPRGKRZSA-N 348.537 4.661 30 40 EJEB Cc1ccc(O)c(/C=N/c2nc3ccc(Br)cc3s2)c1 5541917 SNZPLIVVXQZZTR-CAOOACKPSA-N 347.237 4.823 30 40 EJEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OC(C)C 8811894 BOQSXUAUSDFDFK-CIAFOILYSA-N 346.858 4.650 30 40 EJEB Cc1ccc2nc(N/N=C\c3c(O)ccc4ccccc34)sc2c1 98086924 YLUMZQCIHVQIDW-JAIQZWGSSA-N 333.416 4.910 30 40 EJEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C=C1\C(=O)[C@@H]2CC[C@]1(C)C2(C)C 100366245 NYYAZKCVECQWJT-KREXLMAPSA-N 326.480 4.890 30 40 EJEB C=C(C(=O)O)[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@@]2(C)CCCC(=C)[C@H]2C1 253389119 QVSFEOQJKPOOHP-YOZCEPSOSA-N 348.483 4.748 30 40 EJEB biogenic,in-vitro Clc1ccc(/C=N/c2ccc(I)cc2)cc1 2162175 QQRLQNNABICPKV-CXUHLZMHSA-N 341.579 4.695 30 40 EJEB O=C(O)c1ccc(N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1 4914830 CYMUQTPZTOXBNG-RGVLZGJSSA-N 340.766 4.744 30 40 EJEB CCCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9196904 YWSIJIPEYXOAHM-RGVLZGJSSA-N 337.250 4.906 30 40 EJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13708650 GHOORAITHHOVFE-MRXNPFEDSA-N 347.414 4.811 30 40 EJEB O=C1CCCC2=C1[C@H](c1ccncc1)Nc1ccc3ccccc3c12 408829969 XVDRGBMVAUSFLF-QFIPXVFZSA-N 326.399 4.908 30 40 EJEB Cc1cc(/N=C/C2=C=C=CC=C2C(F)(F)F)n(-c2ccccc2)n1 409050977 FRVSLWAVEJRFMX-WSDLNYQXSA-N 327.309 4.622 30 40 EJEB COc1ccc(-c2cc(C)nc(SCc3cccnc3)c2C#N)cc1 33204 RAJQQHPTDVGAHO-UHFFFAOYSA-N 347.443 4.625 30 40 EJEB CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCC2 4888987 MBVQTWADRHVFFH-DJKKODMXSA-N 349.839 4.523 30 40 EJEB CCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N/NCC)CC(C)(C)C2 12657042 DLHHBRPGCXPKBF-NLRVBDNBSA-N 348.494 4.955 30 40 EJEB biogenic CN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1cccc(F)c1 12912468 UMYUUJBGOFJWHW-UHFFFAOYSA-N 330.406 4.996 30 40 EJEB C/N=C1/S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1C 15227055 XFRVRZRGQCFBMA-LLPDMMGZSA-N 332.428 4.525 30 40 EJEB N#Cc1cc2c(nc1SCc1cccc(Cl)c1)C1CCN2CC1 16398864 DVWHQWVNFMWBIN-UHFFFAOYSA-N 341.867 4.596 30 40 EJEB N#CCN(Cc1csc(-c2cccs2)n1)C1CCCCCC1 84445000 ABGISJHQOGPPRX-UHFFFAOYSA-N 331.510 4.920 30 40 EJEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCC(=O)O 409200484 HOLBSRWEJBOOJB-UFWORHAWSA-N 338.190 4.516 30 40 EJEB CN1/C(=C/C(=O)c2cccc(Br)c2)Sc2ccccc21 5810473 VUVOBOIOZZBUQE-YBEGLDIGSA-N 346.249 4.715 30 40 EJEB COc1ccc(/N=C2\c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 12420318 POYVRXKSUUEESG-VLMSHNLISA-N 327.383 4.796 30 40 EJEB CCOc1ccc(N/C(S)=N\[C@@H](C)CCc2ccccc2)cc1 13686008 LJWZJNNMHKKEJS-HNNXBMFYSA-N 328.481 4.804 30 40 EJEB CCOC(C/N=C/c1cc(C)c2[nH]c3ccccc3c2c1C)OCC 17917644 ALTWHROXLXFDIW-WSDLNYQXSA-N 338.451 4.756 30 40 EJEB N#Cc1ccc(F)c(CSc2ncc(-c3ccc(F)cc3)[nH]2)c1 27227517 KZISGPVAPFKVNR-UHFFFAOYSA-N 327.359 4.519 30 40 EJEB CC(=O)[C@H]1C[C@H](F)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925565 KAWQTQXJOMANFC-UOUVBWGTSA-N 332.459 4.672 30 40 EJEB C=CCc1cc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)ccc1OC 218659097 FFCICYFKHUHISU-HXUWFJFHSA-N 337.463 4.922 30 40 EJEB Cc1ccc(N(CCC#N)C(=O)CSc2ccc(C)cc2C)cc1 2624724 SEMSZFLHGXPFLY-UHFFFAOYSA-N 338.476 4.651 30 40 EJEB CC(=N/Nc1nc2ccccc2s1)/N=N/c1ccccc1C(=O)O 4832865 WFXLFWOXFCMEMJ-MNJINHJASA-N 339.380 4.524 30 40 EJEB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)COc2ccccc21 6085127 SCSGHZPCAMVTCV-XMHGGMMESA-N 342.394 4.924 30 40 EJEB N#CCCn1cc(-c2csc(-c3ccccn3)n2)c2ccccc21 7845303 CAGUUVHIAZBNJY-UHFFFAOYSA-N 330.416 4.740 30 40 EJEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1C 8368547 WYANYZKIKQBBMA-UDWIEESQSA-N 342.236 4.829 30 40 EJEB CCCCCCOc1ccc(/C=N/N=c2\[nH]c(C)c(C)s2)cc1 11992853 LZEKPGXEDBIMOL-CPNJWEJPSA-N 331.485 4.587 30 40 EJEB Cc1ccc(C(=O)/C(Br)=C/c2ccc([N+](=O)[O-])cc2)cc1 20357405 VBUJNEVODIQZJA-GDNBJRDFSA-N 346.180 4.522 30 40 EJEB Clc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1Br 46403 IOFGZAPXOLKLSQ-REZTVBANSA-N 338.588 4.582 30 40 EJEB O=[N+]([O-])c1ccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)cc1 4414239 ZRXGHNUDJGJMAE-CJLVFECKSA-N 326.355 4.745 30 40 EJEB COc1ccccc1/C(C)=N/NC(=S)Nc1ccc(C(C)C)cc1 4871717 WEALJEXLCSBGCI-KGENOOAVSA-N 341.480 4.529 30 40 EJEB FC(F)(F)C(F)(F)CCCOCCCC(F)(F)C(F)(F)F 103537719 OTSCEYMRHHIIIC-UHFFFAOYSA-N 338.185 4.959 30 40 EJEB O=c1oc2ccccc2c(O)c1/C=N/c1cc(Cl)cc(Cl)c1 226759812 VCLZOCZUCQNFBT-UFWORHAWSA-N 334.158 4.556 30 40 EJEB CCSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 3637072 SBJGNXNLVROAPT-UHFFFAOYSA-N 326.318 4.890 30 40 EJEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59247937 KYUITIKSTATROP-FYJGNVAPSA-N 338.794 4.668 30 40 EJEB O=C(/C=C\Nc1cccc(Br)c1)c1ccc(Cl)cc1 104727502 PPHGPKCQJPFHKJ-HJWRWDBZSA-N 336.616 4.911 30 40 EJEB C=CCOc1c(Br)cc(CNc2ccccc2)cc1OC 237287441 OOONUDUCRUHHIQ-UHFFFAOYSA-N 348.240 4.635 30 40 EJEB O=C(O)CCC#CCCCCCCCCCCC#CCCC(=O)O 247369142 GQDBNNGJKJIYIA-UHFFFAOYSA-N 334.456 4.624 30 40 EJEB CCCCCCCCc1ccc(CC[C](CO)COC(C)=O)cc1 1570007624 ITBWEKCXLZHJOU-UHFFFAOYSA-N 333.492 4.652 30 40 EJEB C=CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]21 4959433 WCIRIGFPEWGCHY-CKJXQJPGSA-N 347.414 4.776 30 40 EJEB N#Cc1c(Cl)cccc1NC[C@H](c1cccs1)N1CCCC1 14233231 PEIOHYVQUKBIQU-MRXNPFEDSA-N 331.872 4.522 30 40 EJEB CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C 28539039 XGYJHOKDLDLGLP-SFHVURJKSA-N 327.509 4.913 30 40 EJEB O=C(/C=C/c1ccc2ncccc2c1)c1cccc(Br)c1 69124355 JKZNAPSQYXVTNR-VQHVLOKHSA-N 338.204 4.893 30 40 EJEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccccc2C)cc1 225754657 MZFFSHPAXMOYNJ-OAHLLOKOSA-N 326.465 4.607 30 40 EJEB Cc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 8570900 WPENVJLJSSJHIK-HZHRSRAPSA-N 344.414 4.763 30 40 EJEB N#Cc1cccc(COc2cccc(/C=C/c3ccncc3C#N)c2)c1 504728748 GRCFPWWZJZRNCK-BQYQJAHWSA-N 337.382 4.574 30 40 EJEB N#Cc1nc(/C=C/c2ccccc2)oc1NCc1ccc(Cl)cc1 4186475 FVKCUBPHNICHNO-DHZHZOJOSA-N 335.794 4.982 30 40 EJEB CCOP(=O)(OCC)[C@@H](CC#N)c1ccc(C(F)(F)F)cc1 5334467 HKNDILLGKHOXIV-ZDUSSCGKSA-N 335.262 4.926 30 40 EJEB CCCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2[nH]1 14134285 BXRYNFKRLDZRGE-HYARGMPZSA-N 344.418 4.951 30 40 EJEB Cc1c(Cl)cccc1N/N=C1\C(=O)Nc2ccc(C(C)C)cc21 223729975 RTEYDXRWHXBJKG-UHFFFAOYSA-N 327.815 4.540 30 40 EJEB CC(C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408589672 FJNMQZHLIWHZFO-VXLYETTFSA-N 348.786 4.586 30 40 EJEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408737860 INMBCIOQYSTFRL-HYARGMPZSA-N 331.419 4.803 30 40 EJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)cc1 408742139 NIVHWBSNQTZSTG-HYARGMPZSA-N 332.403 4.631 30 40 EJEB Cc1[nH]c(=N)c(C#N)c(-c2c(C)[nH]c3ccccc23)c1-c1ccccc1 408979034 KWFPQLSKZYQOCX-UHFFFAOYSA-N 338.414 4.798 30 40 EJEB Cc1cccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)c1 409070942 ZSOFWBMRZRUCMR-FSJBWODESA-N 344.340 4.646 30 40 EJEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccccn1 409236495 SINIGMVZRSUBRS-NHDPSOOVSA-N 325.799 4.599 30 40 EJEB COc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1O 4919977 LWGGZRPVACQYFC-CNHKJKLMSA-N 345.613 4.807 30 40 EJEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)s1 25198805 QNSUBNVWHACDSL-ZHACJKMWSA-N 335.428 4.927 30 40 EJEB CCCCCCCCOc1ccc(/C(C=[N+](C)C)=C/N(C)C)cc1 97960730 AWAOWCJOOQRQOY-UHFFFAOYSA-N 331.524 4.671 30 40 EJEB CCOC(=O)c1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 101569937 NORLYPRAOOIXDU-JWGURIENSA-N 336.435 4.604 30 40 EJEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(C)cc3)nc1-2 408722265 FZHBIYSBVPQJKB-KEBDBYFISA-N 336.416 4.770 30 40 EJEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(N2CCOCC2)cc1 409097772 NMFQHEGNYLFEBG-HKOYGPOVSA-N 342.442 4.941 30 40 EJEB C[C@@]1(c2ccccc2)O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 1564165 JPQOSLFMZWFPKG-IRLDBZIGSA-N 329.399 4.666 30 40 EJEB CC1=Cc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C1 16607284 GMMNFZYLPYZJRB-UHFFFAOYSA-N 340.213 4.945 30 40 EJEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(C)cc1 32100450 BEBINRFQQMQUDG-ACCUITESSA-N 330.225 4.956 30 40 EJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1 36354839 AKKWMZJBXZYHCU-INIZCTEOSA-N 348.793 4.521 30 40 EJEB N#Cc1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCCC2 100545157 HZTVMUPFFFOFAU-NFAWXSAZSA-N 328.481 4.653 30 40 EJEB N#CCc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225347688 VPYNJCVNYPZXLN-UHFFFAOYSA-N 333.218 4.631 30 40 EJEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)c(Cl)c1 408743167 ZNWYBONXOMTYGV-ANKPHQHTSA-N 346.217 4.735 30 40 EJEB N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCCCC2 483779 KJBXUFUWQBHRFB-UHFFFAOYSA-N 328.412 4.670 30 40 EJEB Cc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)o1 3373981 UUIWXNMFBGQBCR-OUKQBFOZSA-N 329.355 4.746 30 40 EJEB COc1ccc(OC)c(C(=O)/C=C/c2ccccc2C(F)(F)F)c1 4363536 MNJUUGHJXVRDQV-VQHVLOKHSA-N 336.309 4.619 30 40 EJEB C[C@@H](NC(=O)c1ccccc1SCC#N)c1cccc2ccccc12 13019220 XRTHEUAKABOJDB-OAHLLOKOSA-N 346.455 4.946 30 40 EJEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182486 ANEJKYXPANLLKX-FBHDLOMBSA-N 345.398 4.749 30 40 EJEB CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3C 30729169 ZJTSNYHPKIGSEQ-WYVJSDDNSA-N 328.496 4.970 30 40 EJEB biogenic,in-vitro CCCCCCC(/C=N\Nc1nc(=O)cc(C)[nH]1)=C\c1ccccc1 31667494 KHNIKCNDILKBAA-PYBTYBIFSA-N 338.455 4.530 30 40 EJEB COc1ccc2c(C)cc(N/N=C\c3ccnc4ccccc34)nc2c1 31769286 BHCGCTZWUIXMKF-QRVIBDJDSA-N 342.402 4.546 30 40 EJEB Cc1ccc(Oc2ccc(NC(=O)N3CCC(C#N)CC3)cc2)cc1 69464082 GMYFJDKNJBZULB-UHFFFAOYSA-N 335.407 4.555 30 40 EJEB COc1ccc(Cl)cc1/C=N\Nc1ccc(C(F)(F)F)cc1 408930978 FRXWGFOWSSFIMY-UKWGHVSLSA-N 328.721 4.813 30 40 EJEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1\C[C@H]3CC[C@]1(C)C3(C)C)CC2=O 5100496 SFECAJQDNFQEIJ-BENUDBQNSA-N 345.483 4.517 30 40 EJEB O=[N+]([O-])c1ccc(N/N=C(\Sc2ccccc2)c2ccco2)cc1 13410224 LDVYZHCNCBVYHR-ZPHPHTNESA-N 339.376 4.754 30 40 EJEB Cc1ccccc1/N=C\c1cc(Br)c(Br)o1 408956000 ZLPHDPUYTLFLDZ-CHHVJCJISA-N 343.018 4.864 30 40 EJEB CC1(C)CC(=O)C(Br)=C(Nc2ccccc2Cl)C1 494562 XWDLFTPPPPREAJ-UHFFFAOYSA-N 328.637 4.748 30 40 EJEB Cc1ccc(CO/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 1403307 KVZVUYOMPKXAMC-LNVKXUELSA-N 342.398 4.594 30 40 EJEB O=C1/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)Sc2ccccc21 4156752 WQHCWYNOXGTKKS-WQRHYEAKSA-N 348.379 4.974 30 40 EJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1 5512729 KXEQKVRLEBEWIZ-CIAFOILYSA-N 344.330 4.549 30 40 EJEB CC(C)(C)c1ccc(/N=C/c2cc(Br)ccc2O)c(O)c1 6212208 KWMPPOPLLSGHGB-VXLYETTFSA-N 348.240 4.908 30 40 EJEB CCn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10118863 SSRZOJQAUMYLRD-LPYMAVHISA-N 325.843 4.747 30 40 EJEB FC(F)(F)c1ccccc1NC(=S)NN=C1CCCCCC1 13685914 HICDIXCPXTXYDT-UHFFFAOYSA-N 329.391 4.702 30 40 EJEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 34876761 SFECAJQDNFQEIJ-GNLZJATQSA-N 345.483 4.517 30 40 EJEB O=C(Nc1cccc(Cl)c1)[C@@H]1CCC(=C/c2ccccc2)/C1=N/O 89821484 PKNSMTQWTNJRDQ-FTOCVWESSA-N 340.810 4.602 30 40 EJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2OC)C1 408563610 QCCFMMDUCSIQQI-FNDVETGQSA-N 346.427 4.705 30 40 EJEB N#Cc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 191239 BITVQRQZLASPAA-UHFFFAOYSA-N 329.384 4.573 30 40 EJEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5191141 MOMUZUBEMSUNEL-NVMNQCDNSA-N 326.779 4.911 30 40 EJEB N#C/C(=N\Nc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 6886142 IBZUWRGVQLJWHR-FYJGNVAPSA-N 347.230 4.943 30 40 EJEB N#Cc1cc(Br)ccc1/N=C1\CCCN1c1ccccc1 13111719 AWAWFSXKEDAMLE-LVZFUZTISA-N 340.224 4.651 30 40 EJEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccccc2Br)c1 44844533 SQSJZZGMVKSRBF-MDZDMXLPSA-N 330.225 4.874 30 40 EJEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225478304 BWRAAVFQHRMGIO-MRXNPFEDSA-N 340.492 4.916 30 40 EJEB COc1ccc(OC)c(N/C=C/C(=O)c2cccc3ccccc23)c1 409181355 BETABZPJTVCAKX-OUKQBFOZSA-N 333.387 4.666 30 40 EJEB N#Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 59288 JONFXBFPSNAFFO-DJKKODMXSA-N 345.811 4.811 30 40 EJEB O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 109688 RTPSHVGPBLTBLA-HXUWFJFHSA-N 342.398 4.505 30 40 EJEB N#Cc1ccccc1COc1ncnc2scc(-c3ccccc3)c12 3363000 RPNWKKLZXWOFFN-UHFFFAOYSA-N 343.411 4.809 30 40 EJEB C/C(=N\OCc1cccc(C(=O)O)c1)c1ccc(Cl)c(Cl)c1 4284559 PZPQHDWFTUNGCU-VXLYETTFSA-N 338.190 4.632 30 40 EJEB COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 4833605 ZCAOTOIZNOXLNO-UDWIEESQSA-N 325.799 4.593 30 40 EJEB COc1cc(Br)c(/C=N/c2ccccc2C)cc1OC 8570836 ZFVLMWHNRCDOGO-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB C=C[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 38549606 HQCWLYGJDWRLIV-PNLWMVSSSA-N 341.451 4.655 30 40 EJEB CC(C)(O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935340 LHPASWXOIRNYHK-XUCMERPOSA-N 330.512 4.905 30 40 EJEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 408737534 CTVMGYPMQBMIEM-LPYMAVHISA-N 332.403 4.851 30 40 EJEB C[C@H]1CCc2sc(NC(=O)c3cccc(Cl)c3)c(C#N)c2C1 4070059 BMKWBMVESSTOTE-JTQLQIEISA-N 330.840 4.650 30 40 EJEB Cc1ccc2c(c1)N[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 5218504 LESOCJNBYQDOGR-HXUWFJFHSA-N 333.435 4.612 30 40 EJEB Cc1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1C 5533129 OVKHEIQIVDTEQA-ZHACJKMWSA-N 330.225 4.874 30 40 EJEB COc1cc(Br)c(/C=N/c2ccc(C)cc2)cc1OC 8371801 SRTRTLMJNJZNPJ-VCHYOVAHSA-N 334.213 4.525 30 40 EJEB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl 72302483 RKXRFNMAVDAXLN-SJLPKXTDSA-N 325.843 4.688 30 40 EJEB N#Cc1cc(Br)c(Cl)nc1-c1ccccc1Cl 96510642 OOOYJPRUNOWFCX-UHFFFAOYSA-N 327.996 4.690 30 40 EJEB COC1(OC)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@]5(CO5)[C@@]4(C)CC[C@@H]32)C1 253505448 PQMPPACKUYBMIW-HXIANDDZSA-N 346.511 4.707 30 40 EJEB N#Cc1c(/N=C/c2ccc(Br)o2)sc2c1CCCC2 408742419 WLNUXJUHDLKHET-CAOOACKPSA-N 335.226 4.605 30 40 EJEB CCOC(=O)[C@@]1(CC)C(=O)C=C(c2ccccc2)C[C@H]1c1ccccc1 1564071 PFAGDXKIOLDOED-NZQKXSOJSA-N 348.442 4.786 30 40 EJEB CC(C)c1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1 2700086 JBDLCESJJQMSJI-UNOMPAQXSA-N 328.485 4.994 30 40 EJEB C/C(=N\NC(=S)Nc1ccc(F)cc1)c1ccc2ccccc2c1 5560632 BGXNDFMPZDQHGX-LPYMAVHISA-N 337.423 4.690 30 40 EJEB Cc1[nH]c2ccccc2c1/C=N/Nc1nc2ccccc2n1C(C)C 6399460 MQODSYGMOQKZCD-CIAFOILYSA-N 331.423 4.853 30 40 EJEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)cc(F)c1 9088405 GZBPDTGPLLOQMH-PRWKNARSSA-N 340.373 4.797 30 40 EJEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 12406350 CFMYMGVPGPWIRI-UAGDZQSXSA-N 336.410 4.887 30 40 EJEB CCCCCNc1nc(CCCC)c2c(c1C#N)CC(C)(C)OC2 20828967 BNNZRYYJMKZUGO-UHFFFAOYSA-N 329.488 4.749 30 40 EJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 216889566 NHXQKPRVBUWONF-UXBLZVDNSA-N 346.785 4.801 30 40 EJEB Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1 225854452 LTHKXGFGPRNGBO-UHFFFAOYSA-N 335.838 4.543 30 40 EJEB C=CCOC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 226236248 WTMALNYDKWGITQ-UHFFFAOYSA-N 347.201 4.880 30 40 EJEB CCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C 408707406 AHVYPRMTIOLEDX-UHFFFAOYSA-N 346.515 4.807 30 40 EJEB C#CCOc1ccc2ccccc2c1/C=N/c1oc(C)c(C)c1C#N 409162509 WAPNIEAZOVNVJK-YDZHTSKRSA-N 328.371 4.684 30 40 EJEB C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 4797625 NPXZJXKJCUAUBN-STZFKDTASA-N 348.277 4.540 30 40 EJEB COc1ccc(/C=N/Nc2nscc2-c2ccc(Cl)cc2)cc1 5444428 OWTYYGPSDUBCCM-VXLYETTFSA-N 343.839 4.918 30 40 EJEB CCOc1ccc(Nc2oc(/C=C/c3cccs3)nc2C#N)cc1 6870464 BBTGILJYTIFZNA-MDZDMXLPSA-N 337.404 4.920 30 40 EJEB COc1ccccc1N[C@@H](C#N)c1ccccc1OCc1ccccc1 479572 KYFXPHPBTUJULU-FQEVSTJZSA-N 344.414 4.951 30 40 EJEB in-vitro O=C(O)c1ccc(/N=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 4808151 PCESDWWIFVPSOX-HYARGMPZSA-N 329.355 4.637 30 40 EJEB CCc1ccc([C@@H](NC(=O)c2ccc(C#N)cc2)c2cccs2)cc1 8062288 QKNBMOVDRVQONP-HXUWFJFHSA-N 346.455 4.702 30 40 EJEB CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccccc2)n1 19820818 YXNGBBMSQUFKOG-CJNGLKHVSA-N 338.480 4.728 30 40 EJEB CSc1nc(Nc2cccc(F)c2)c(C#N)c(-c2ccccc2)n1 19820826 IIVVSZAFIVMIGV-UHFFFAOYSA-N 336.395 4.620 30 40 EJEB Cc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)o1 22016408 VVYVRQUDBDMJDG-MDZDMXLPSA-N 326.783 4.632 30 40 EJEB O=C(/C=C(\Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1 100292269 LPGATJZHJUTVAG-SILNSSARSA-N 327.383 4.748 30 40 EJEB C[C@H](Oc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1)C(=O)O 408854455 GCBZGQVYRNBKBS-OVNPTBDBSA-N 338.190 4.596 30 40 EJEB N#Cc1c(NC(=O)c2cccc(F)c2)sc2c1CCCCCC2 484172 BZADPQVFHLKTJV-UHFFFAOYSA-N 328.412 4.670 30 40 EJEB N#Cc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 5357810 ORAIOYWNEXVRTH-UHFFFAOYSA-N 338.461 4.505 30 40 EJEB CCc1ccc(/N=C2\SCCCN2C(=O)c2ccc(F)cc2)cc1 16044982 IRKZKIWBUXGCJR-VZCXRCSSSA-N 342.439 4.655 30 40 EJEB Cc1ccc(C(=O)O/N=C(\Cc2ccccc2)c2cccs2)cc1 39986926 YBULHSZVURAKBR-DYTRJAOYSA-N 335.428 4.860 30 40 EJEB C(=N/Nc1ccccc1)\c1ccc(Sc2nc3ccccc3[nH]2)o1 107999412 XATOVLJBXUOQFK-XDHOZWIPSA-N 334.404 4.753 30 40 EJEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N 225846647 MYKVSMXDXPFLMV-FQEVSTJZSA-N 346.471 4.661 30 40 EJEB N#CC[C@@H](c1ccccc1)[C@@H](C#N)c1ccc(Br)cc1 133212 QKWZIKYUZKFVBE-IRXDYDNUSA-N 325.209 4.754 30 40 EJEB C=C(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 5817044 PUOLEECIASKZRN-NSHDSACASA-N 348.537 4.848 30 40 EJEB C=CCOc1cc2c(cc1[C@@H](C)c1ccc(OCC)c(C)c1)OCO2 5962347 OWAAFELUJIQZCU-HNNXBMFYSA-N 340.419 4.839 30 40 EJEB C=CCOc1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1 12138057 BXCWOEZIRNPFCW-UHFFFAOYSA-N 345.826 4.539 30 40 EJEB COc1cc(/C=N/c2ccccc2)ccc1OC(=O)c1ccccc1 18058222 PYASYLLHLPINAE-PXLXIMEGSA-N 331.371 4.665 30 40 EJEB C[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc(-c2ccccc2)cc1 32806325 IDWXCADGPVADTF-CQSZACIVSA-N 344.374 4.702 30 40 EJEB C=CCN(C(=O)Cc1ccccc1Cl)[C@H]1CCc2ccccc21 36393581 XSQZHIRPYRTHBU-IBGZPJMESA-N 325.839 4.585 30 40 EJEB COc1cc(/C=N/c2c3ccccc3nc3ccccc23)ccc1O 100298358 BEANGEVZMPHZEN-LPYMAVHISA-N 328.371 4.853 30 40 EJEB Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc3ccccc23)cc1 2212352 RWWQOJRWGIGIIM-FYJGNVAPSA-N 344.443 4.952 30 40 EJEB CCCCCCCCC[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 3115086 CXNATEZOVVRARQ-OALUTQOASA-N 342.483 4.949 30 40 EJEB biogenic O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1ccccc1F 5376946 MLFDBBWDKJBFAU-PDGQHHTCSA-N 348.402 4.871 30 40 EJEB CN(/C(=N/c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 5586183 ZBRFJMBHWAHTDT-QZQOTICOSA-N 331.375 4.810 30 40 EJEB COc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 7000352 VBKATESFIPAUQG-SOFGYWHQSA-N 336.309 4.619 30 40 EJEB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 22524505 MPSWBVIJWBSXRU-QGZVFWFLSA-N 344.867 4.915 30 40 EJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222846233 OBFQIBKOOJYTGM-AWEZNQCLSA-N 345.826 4.619 30 40 EJEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)cc1C#N 225827631 ZBUMUKUXOZWZPG-FQEVSTJZSA-N 346.471 4.659 30 40 EJEB COc1cc(/N=C/c2ccc(C)cc2)ccc1NC(=O)c1ccco1 361071 JZMYUBCNDCUUCF-FYJGNVAPSA-N 334.375 4.600 30 40 EJEB O=C1C[C@@H](Nc2ccccc2Cl)C=C1Nc1ccccc1Cl 6222459 YBMNEESEEZMDIK-NSHDSACASA-N 333.218 4.743 30 40 EJEB COc1ccc(/C=N/Nc2nc3ccccc3s2)c2ccccc12 59514397 VRSNLHMOMVSBBC-UDWIEESQSA-N 333.416 4.904 30 40 EJEB CCOc1ccccc1[C@H](CC)Nc1nc(C(F)(F)F)ccc1C#N 522417680 JEGKIPPDVUQUOF-AWEZNQCLSA-N 349.356 4.934 30 40 EJEB N#CCCCn1cc(C(=O)N(C2CCCCC2)C2CC2)c2ccccc21 618195854 ICXLBCSNEAQLRN-UHFFFAOYSA-N 349.478 4.882 30 40 EJEB O=C(/C=C/Sc1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1 174142 XYGRLYPWQZXAPJ-VOTSOKGWSA-N 332.787 4.844 30 40 EJEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)[N+](C)(C)C 14285467 XOKJULOVXVISRP-BWMVHVDHSA-N 342.588 4.672 30 40 EJEB in-vitro CN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCCCCC2 32614584 QHKYNSJLXNWILC-UHFFFAOYSA-N 338.476 4.551 30 40 EJEB O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1C1CCCC1 103748924 QSTYTUXCWQUINK-CJGMICOPSA-N 338.432 4.826 30 40 EJEB CC1=NOC(=O)/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409089237 ZBPRQTNXWBTYIH-FYJGNVAPSA-N 343.382 4.735 30 40 EJEB