smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1cccc(/C=C2\Cc3ccccc3C2=O)c1)c1ccccc1Cl 5128864 SIBYLAVOAPDQLA-SFQUDFHCSA-N 373.839 5.415 30 40 FKEB Cc1ccc(Sc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c(C)c1 6834772 HFZQFNKAQBSXFX-UHFFFAOYSA-N 358.466 5.579 30 40 FKEB CCCC[C@@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N\O)C(C)=O 17289689 QXURMVMQUSFRNL-XHXPFOKLSA-N 369.546 5.530 30 40 FKEB CCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)c(C)c1 59663951 VAOCDWZFPWKOPF-XQNSMLJCSA-N 353.462 5.793 30 40 FKEB Cc1c(/C=N\c2ccc(Br)c(Cl)c2)c2ccccc2n1C 408850228 IUTGEUPUXNCCAQ-JMIUGGIZSA-N 361.670 5.653 30 40 FKEB FC(F)(F)c1cccc(/C=N/N=C(c2ccccc2)c2ccccc2)c1 3261474 XDFQABAJCSVQRN-MFKUBSTISA-N 352.359 5.577 30 40 FKEB C1=NN(c2ccccc2)[C@H](C/C(=N\Nc2ccccc2)c2ccccc2)C1 4452283 FHOOQCMDWIVKCV-WWCBRRATSA-N 354.457 5.158 30 40 FKEB Cc1cc(C(=O)O)ccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 4675847 ORUZAUPDLGCPGX-BUHFOSPRSA-N 357.409 5.169 30 40 FKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3[C@H]2CC=CCC2)cc1 4948837 MOKATNFSLUOWDM-HTAPYJJXSA-N 373.500 5.362 30 40 FKEB C=CCn1c(C)c(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 5530151 MWGYNSFUNXCMLF-ZVHZXABRSA-N 359.498 5.698 30 40 FKEB Cc1cccc(/N=C/c2c(C)c(/C=N/c3cccc(C)c3)n3ccccc23)c1 100104928 NHEWSRQCTMKRJQ-CTVDDJEBSA-N 365.480 6.366 30 40 FKEB CCCCCCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 104097536 PSMHLEWRGIGRNB-LNVKXUELSA-N 353.466 6.162 30 40 FKEB CCc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 198085819 DYRLSOJBMOFCMD-LZCVXGSNSA-N 354.925 6.375 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)cc1 408771108 FIKVWDFPPZYNIP-OYKKKHCWSA-N 364.420 5.161 30 40 FKEB CC(C)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408912683 QVALYHQADYWHEG-AVJLYGTLSA-N 374.868 5.492 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 409212271 OKTCXDQMSGYXBM-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3ccccc3Cl)o2)c(Br)c1 409247808 OAAAXFNTDUQMAH-NHDPSOOVSA-N 374.665 6.422 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)CCOc1cccc(Br)c1 1565662384 WOBULIGNQMMQLI-UHFFFAOYSA-N 369.074 5.051 30 40 FKEB O=C(c1ccccc1)c1ccc(/N=C/c2ccc(Br)s2)cc1 1087239 KIGLJJHJCOIBDD-UDWIEESQSA-N 370.271 5.492 30 40 FKEB CCCCCCCCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 1593454 ZLBWIBWPIBMPOI-NRFANRHFSA-N 367.489 6.277 30 40 FKEB CCCCC[C@@H](C[N+](C)(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1731548 SXOVUBFTUPYCEW-TYZQSYOASA-N 357.345 5.478 30 40 FKEB CCCCCOc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 4194659 BLQBFVCUHPFGJJ-UHFFFAOYSA-N 368.502 5.514 30 40 FKEB COC(=O)c1ccccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4349308 VHBTZDSTAVKXHP-UHFFFAOYSA-N 353.462 5.073 30 40 FKEB Clc1ccc(CO/N=C(\c2ccccn2)[C@H]2C[C@H]2c2ccccc2)cc1 5684680 KXSCUFLGDPVJOC-YOTAIKSLSA-N 362.860 5.460 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 59104843 NLAOEEKYNBRYFI-BGHCKBSUSA-N 361.441 6.217 30 40 FKEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N\c2ccccc2Cl)c1O)CCCC3 83327396 UJVGLDBEFDFFRI-FBHDLOMBSA-N 370.792 5.329 30 40 FKEB N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@H]1c1ccccc1F 84559982 WJVRRBUZHLMPSN-IRXDYDNUSA-N 362.429 5.168 30 40 FKEB CN(C)c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 101711104 WXCMZDUVAYRTIW-STZFKDTASA-N 368.278 5.056 30 40 FKEB CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525192 INWWPBCQHLHWRD-UHFFFAOYSA-N 362.129 5.525 30 40 FKEB Oc1ccc2ccccc2c1C=Nc1ccc(Br)c(Cl)c1 260840591 IIEZSSLNBBFQHN-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)o1 4166495 RXVJKYPXZUCKOY-HSZRJFAPSA-N 357.453 5.942 30 40 FKEB C(=N/c1oc(-c2ccccc2)nc1Sc1ccccc1)\c1ccccc1 17005485 JFSQCDMTAQXXFV-XQNSMLJCSA-N 356.450 6.243 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 225848462 JPJYNSUBBMRTBP-JOCHJYFZSA-N 374.525 5.441 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408738483 ZFPFOJPKILWRMR-YDZHTSKRSA-N 365.864 5.457 30 40 FKEB Cc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c(C)c1 408857858 QFVPXEZPAOZRDZ-OYKKKHCWSA-N 359.425 5.331 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965045 FRHGCIOMRXOGIM-WPWMEQJKSA-N 372.556 7.266 30 40 FKEB Fc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1ccccc1 409178576 LJURGFZLTDHXJH-WGOQTCKBSA-N 370.427 6.004 30 40 FKEB FC(F)(F)C(F)(CCOc1cccc(Br)c1)C(F)(F)F 1083809879 ZPXLUMQTKPTYOY-UHFFFAOYSA-N 369.074 5.051 30 40 FKEB Cc1ccc(C)c([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 2360686 WAAKIUOVCOUORW-XMMPIXPASA-N 369.489 6.170 30 40 FKEB N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2 2746973 QGMQJFGXRAPXRY-IAGOWNOFSA-N 350.487 5.021 30 40 FKEB O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2s1)c1ccccc1 5735005 XQVHOHFKFPISIJ-JXAWBTAJSA-N 357.434 5.425 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C 6084233 HBJNHROHBMWODL-SUYBPPKGSA-N 362.926 5.238 30 40 FKEB O=C1c2ccccc2-c2ccc(/N=C/c3ccc(Br)cc3)cc21 8130281 BRUXMQOUXNBHIX-WSDLNYQXSA-N 362.226 5.411 30 40 FKEB ClC12C[C@H]3C[C@@H](C1)CC(c1ccc(/N=C/c4cccs4)cc1)(C3)C2 17242053 RQKPBDNYJWVLFP-RJTWTYMGSA-N 355.934 6.328 30 40 FKEB CCCCCCCn1c(/N=C/c2nc3ccccc3n2C)nc2ccccc21 50860292 HHSQEVRPGIGDQR-JJIBRWJFSA-N 373.504 5.644 30 40 FKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccsc3)c(-c3ccccc3)c2c1 97105689 SVUVNNQXIBMLNM-CSKARUKUSA-N 371.461 5.461 30 40 FKEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1Cl 408923223 PCUCUBWBKKMNJF-CSKARUKUSA-N 368.633 5.440 30 40 FKEB Clc1ccc(Sc2ccc(/C=N/c3cccc4ccccc34)cc2)cc1 409099909 RKJIJHAUNLMPFH-PCLIKHOPSA-N 373.908 7.395 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409105963 LUQSHJHTVZMYLL-MXJLDLDKSA-N 366.505 5.568 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3ccccc3F)o2)c(Br)c1 409235247 OLGRCXVJECMMMV-NHDPSOOVSA-N 358.210 5.907 30 40 FKEB O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)Cc2ccccc21 409368448 WDQIKFGKCRJJHX-XMHGGMMESA-N 360.840 5.741 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 5210535 LGONKLASQBMSBA-XNTDXEJSSA-N 374.436 5.179 30 40 FKEB [N-]=[N+]=Nc1ccc(C2(c3ccc(N=[N+]=[N-])cc3)NC(=O)c3ccccc32)cc1 13477492 GMSCPAFHTMGFOQ-UHFFFAOYSA-N 367.372 5.606 30 40 FKEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1C(F)(F)F 24831125 SSZVWRRZEJHDIC-UHFFFAOYSA-N 371.383 5.419 30 40 FKEB N#Cc1cccnc1Oc1ccccc1NCc1cccc2ccccc12 95364882 IXTIRTAUGRTHCM-UHFFFAOYSA-N 351.409 5.511 30 40 FKEB CCc1ccc(-c2nc3ccc(/N=C/c4cccc(OC)c4O)cc3o2)cc1 98086888 QGPPEWOYZROYLB-ZVHZXABRSA-N 372.424 5.522 30 40 FKEB CCCCCCCNCc1c(OCc2ccccc2)ccc2ccccc12 100126335 ADHJDLZSIZEBJJ-UHFFFAOYSA-N 361.529 6.479 30 40 FKEB FC(F)=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F 100499638 XSDYKRUQANQODG-UHFFFAOYSA-N 350.049 5.373 30 40 FKEB CCCCCCCCCCCCOC(=O)C[N+](CCC)(CCC)CCC 100934686 PTRRLYYLCWXYBO-UHFFFAOYSA-N 370.642 6.497 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3cccc(O)c3)C2=C(O)C1 103872323 YLNZMXMOQIYQCL-IBGZPJMESA-N 371.436 5.170 30 40 FKEB CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1 256560720 NPBDWXMKLFBNIW-UHFFFAOYSA-N 357.801 5.404 30 40 FKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCC 409121058 XMJDLVVSSDDTSZ-UHFFFAOYSA-N 359.897 5.786 30 40 FKEB Brc1ccc(OCc2ccccc2)c(/C=N/c2ccccc2)c1 409211112 KVORELLZYGZMAF-HYARGMPZSA-N 366.258 5.779 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1C 409213942 UNYAPUXLVZBKAB-OYKKKHCWSA-N 359.425 5.331 30 40 FKEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1 4175512 FPXHIXKKYDTUAR-PLRJNAJWSA-N 360.486 5.384 30 40 FKEB CSc1nc(Nc2ccc(C)c(Cl)c2)c(C#N)c(-c2ccccc2)n1 5607370 ISBHSBIWYPWAHG-UHFFFAOYSA-N 366.877 5.443 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 6880666 FYYONBLESWTOJE-SRZZPIQSSA-N 352.261 5.850 30 40 FKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccccc3F)ccc21 11869294 NUVVHBABXXZYAQ-ODLFYWEKSA-N 352.386 5.082 30 40 FKEB Cc1ccc2nc(N/N=C(\c3ccccc3)c3ccccn3)cc(C)c2c1 17127491 BBBPWTGXWGELKG-SLEBQGDGSA-N 352.441 5.111 30 40 FKEB CCCCCCCCCCC/C(=N\O)c1ccc2ccc(C)nc2c1O 100935879 WZRCOWRKWPFSNW-HIXSDJFHSA-N 356.510 6.348 30 40 FKEB COC(=O)c1ccc(O/C(=N\c2c(C)cccc2C)c2ccccc2)cc1 102971298 RRLXSZDISPWOCN-GYHWCHFESA-N 359.425 5.247 30 40 FKEB Clc1ccc(/C=N\CCCCCC/N=C\c2ccc(Cl)cc2)cc1 104063763 FGWCNZPMXNRXKM-MPKYGIEOSA-N 361.316 6.092 30 40 FKEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(C(C)C)cc3)nc1-2 408722617 MHJLBROPISQZNR-SSDVNMTOSA-N 364.470 5.585 30 40 FKEB O=C(/C=C/Nc1ccc(Br)cc1F)c1cccc2ccccc12 4691398 VKHOUMKIKKDKCY-ZHACJKMWSA-N 370.221 5.550 30 40 FKEB CCCC/N=C1\S/C(=C\c2cccc(Cl)c2)C(=O)N1CCCC 5552228 PZMLQIRUJHNDTC-ISRZJSKBSA-N 350.915 5.213 30 40 FKEB Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccco2)c2ccc(F)cc2)cc1 5617852 KGHGPPSSTBSVRJ-HPTAAFKRSA-N 363.388 5.092 30 40 FKEB COc1ccc(/C=N/Nc2cc(C)nc3ccc(F)cc23)c2ccccc12 17127111 ZYTXJKDPCSHKCV-ZMOGYAJESA-N 359.404 5.290 30 40 FKEB C=CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 20897451 BACJIZQHNNCPMS-HNNXBMFYSA-N 370.518 5.111 30 40 FKEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1cccc(C)c1 27586226 ARGCTRRPZCUFGP-UHFFFAOYSA-N 354.457 5.485 30 40 FKEB CCCCCCCCCCCCCCCC[C@H](CCC)c1ccccc1 100133459 RFNYELHDUBVQMR-VWLOTQADSA-N 358.654 9.442 30 40 FKEB COc1ccc(-c2csc(N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)n2)cc1 100840784 FKCHKTAROZJYOA-SHGSZIJCSA-N 355.507 5.433 30 40 FKEB COc1ccc(-c2sc(/N=C\c3cccs3)c(C#N)c2C)cc1OC 104168767 UBAXBQHDFYXWJO-NHDPSOOVSA-N 368.483 5.425 30 40 FKEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 225827362 HIRYOWLUBCGYLA-OAQYLSRUSA-N 360.498 5.051 30 40 FKEB N#Cc1c(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2 793806 CSZRJTODGPUULV-SRZZPIQSSA-N 363.398 5.027 30 40 FKEB CCOc1ccc2nc(S/C=C/C(=O)c3ccc(CC)cc3)sc2c1 1036782 PDDQOWBGNAKAMK-VAWYXSNFSA-N 369.511 5.746 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1 1095772 FPVGOJPSUFXSDC-ZDUSSCGKSA-N 356.491 5.315 30 40 FKEB C=CCn1c([C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 4033319 UHTOLNLGKVKLKB-IBGZPJMESA-N 373.500 5.085 30 40 FKEB C[C@H]1CCc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)c(C#N)c2C1 4070071 ATLVSMJMJDJSGQ-HNNXBMFYSA-N 372.493 5.664 30 40 FKEB Cc1sc(NC(=O)CSc2cccc3ccccc23)c(C#N)c1C 8332661 AJDCNEMNUWRUBF-UHFFFAOYSA-N 352.484 5.121 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3C(=O)O)cc1)C2 59501486 USTWUEAPVNNJSP-DHRITJCHSA-N 370.452 5.272 30 40 FKEB CCCCCCCCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)Cl 100498122 RFWUSONQVLHGBQ-HNNXBMFYSA-N 374.780 5.492 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408743315 ZWVGMHIDCDAZAO-BUVRLJJBSA-N 359.473 5.113 30 40 FKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2c(C)cccc2CC)c1C 408961087 QYBVCLYLKNCFMA-XYGWBWBKSA-N 360.501 6.114 30 40 FKEB O=C(O)c1cccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409223332 YYZMEOLUBHIEFG-QFEZKATASA-N 372.399 5.278 30 40 FKEB Cc1ccc(/N=C2\S/C(=C\c3ccco3)C(=O)N2c2ccc(C)cc2)cc1 5380373 IXRWWOHTHNLQCH-DJOYVXLESA-N 374.465 5.705 30 40 FKEB O=C(/C=C\c1ccco1)/C=C/c1ccc(-c2ccc(Br)cc2)o1 6058969 CVEHDJSOKNCPOW-FKJILZIQSA-N 369.214 5.598 30 40 FKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N\c2ccc3ncccc3c2)O1 12970906 DZLWXAMRMLIEHI-KENDQIABSA-N 356.425 5.645 30 40 FKEB C/C(=N\Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(Cl)c1 16137273 CQFOLHFVQCNKBL-UFFVCSGVSA-N 363.273 5.348 30 40 FKEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 20038540 PLENHUJLRPFWHQ-OAQYLSRUSA-N 361.441 5.201 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1Cl 100031164 HFUNIJACWMOIFR-FYJGNVAPSA-N 351.793 5.742 30 40 FKEB C[C@@H]1C[C@H](C(O)=Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CCO1 330027329 MXWHJXSMPINSHG-VXGBXAGGSA-N 365.260 5.459 30 40 FKEB C=CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2240379 FXPALNHGXFCKKH-UHFFFAOYSA-N 355.532 5.205 30 40 FKEB O=C1C[C@@H](c2ccccc2)SC(Nc2ccccc2)=C1c1ccccc1 3052269 OKSCEFUCRIJEAF-NRFANRHFSA-N 357.478 5.915 30 40 FKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 4158534 SNRSRHOFGIUHJE-CSKARUKUSA-N 353.761 5.404 30 40 FKEB Cc1oc(/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(C#N)c1C 4680682 WUCABLWAEDAULH-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 5551492 HFGAPUSQNJUUGZ-XSFVSMFZSA-N 358.466 5.294 30 40 FKEB Cc1cc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2n1 41127765 PWGBIEYYKUBVPW-LPYMAVHISA-N 372.384 5.157 30 40 FKEB Cc1c(Br)c(/C=N/c2cccnc2)c(C)n1-c1ccccc1 59104671 MCGBWKBHBRVOBU-CIAFOILYSA-N 354.251 5.002 30 40 FKEB Cn1nc(-c2ccccc2)c(/C=N/c2c(Cl)cccc2Cl)c1Cl 100271420 VOXALXVFXPAOQL-UFFVCSGVSA-N 364.663 5.798 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408691538 CRVUKHSDUUAKNE-OVCLIPMQSA-N 373.408 5.378 30 40 FKEB Cc1cc(/N=C/c2cc(C)n(-c3ccccc3)c2C)ccc1Br 408773517 RDRJBICQGHUHKB-LPYMAVHISA-N 367.290 5.916 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2Cl)cc1 409105147 GRVAYGCCISGJPY-MFKUBSTISA-N 373.839 6.742 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 409169185 POAXMCVRCRDVPN-GUXCAODWSA-N 371.267 5.722 30 40 FKEB Cc1cc(-c2ccc(/N=C/c3ccc[nH]3)c(C)c2)ccc1/N=C/c1ccc[nH]1 705210 AAYJHBBVEPHFMD-DPCVLPDWSA-N 366.468 6.128 30 40 FKEB C[C@@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc(Cl)c(F)c3)c3cccc1c32 12406292 KMDCRCLFKWVYFA-OFSDHFDJSA-N 356.828 5.232 30 40 FKEB O=C(/C=C\C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(Cl)cc1 33376569 AKQPMFXBYIHSPS-SEYXRHQNSA-N 363.888 5.532 30 40 FKEB Cc1cc(O)c(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1C 100517773 ZLJGMHCSQIWBTL-SRZZPIQSSA-N 370.246 5.782 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408761180 CCRRHCIGLOYKBO-FYHAJLKWSA-N 364.920 7.012 30 40 FKEB Brc1cc(/C=N\c2ccc3ccccc3c2)oc1N1CCCC1 408818931 ZGXFDZOZAHAFDP-BKUYFWCQSA-N 369.262 5.546 30 40 FKEB N#Cc1nc([C@H]2C[C@@H]2c2ccc(F)cc2)oc1NCc1ccccc1Cl 1775976632 SIMVKICPSXCVQV-CVEARBPZSA-N 367.811 5.222 30 40 FKEB N#C[C@H](c1ccc(Nc2ccccc2)nn1)c1ccc(Cl)cc1Cl 1400173 GBHINRBSLSPSLF-HNNXBMFYSA-N 355.228 5.182 30 40 FKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1561032 MFAJMFUIWIMWLG-VGOFMYFVSA-N 370.876 6.112 30 40 FKEB C=CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 4471515 GJZUJTUDQIZSIT-CPNJWEJPSA-N 361.491 5.380 30 40 FKEB CCCCCCCCCCCC[N+](C)(C)CCOc1ccc(Cl)cc1 8214548 DIQMZVPLKDZWFT-UHFFFAOYSA-N 369.013 6.716 30 40 FKEB in-man CCCc1cc(Nc2ccc(OCC)cc2)n2c(nc3ccccc32)c1C#N 9245534 GHEHNUBOYQLBBQ-UHFFFAOYSA-N 370.456 5.454 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccccc1Cl 14671941 FIPHIFFMXLQWDJ-FQEVSTJZSA-N 369.917 6.242 30 40 FKEB Cc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccccc2)cc1 59505742 MMFKCCQSVDLJOB-BUVRLJJBSA-N 370.477 6.242 30 40 FKEB CCCC/C=C/[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677022 VTQJUMDFJZMYAO-WEWAHIQMSA-N 368.186 5.768 30 40 FKEB CCC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 100384283 ZBPPYWMIWUVVEM-LFVJCYFKSA-N 358.441 5.365 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C#N)[C@@]4(C)CC[C@@H]32)C1 118925804 HFAXZVGIGZBGQV-CYJBNBHLSA-N 369.549 5.657 30 40 FKEB N#Cc1c(NC(=O)c2cccnc2)oc(-c2ccccc2)c1-c1ccccc1 170522094 HMWDYBFSOAJANE-UHFFFAOYSA-N 365.392 5.133 30 40 FKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(O)cc4O)c3C)nc2c1 793655 KGQBRWGMDPBDJN-FSJBWODESA-N 358.397 5.273 30 40 FKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)cc1 3049958 BTQCXONJQJTWFX-PCLIKHOPSA-N 354.453 6.543 30 40 FKEB Cn1cc([C@H]2Cc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 4824690 XITWIYIIIVHJCX-GOSISDBHSA-N 370.496 5.573 30 40 FKEB OC1=N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1c[nH]c2ccccc12 6931971 MUUCZFDPMCHZLL-SXGWCWSVSA-N 353.834 5.553 30 40 FKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 14091438 OUQJMALPBKUFIK-UHFFFAOYSA-N 355.894 5.001 30 40 FKEB CC(C)=NNc1nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2s1 40542387 APAIRWUBGRBSBA-UHFFFAOYSA-N 350.447 5.529 30 40 FKEB CC(=O)Nc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1 59483027 NOMVVXVNNKNHBL-KEBDBYFISA-N 355.850 5.173 30 40 FKEB CCCC[P+](CCCC)(CCCC)Cc1c(C)c(C)c(C)c(C)c1C 71789883 SDYCKXNUQBHMBA-UHFFFAOYSA-N 363.590 8.147 30 40 FKEB Cc1ccc(CSC2=Nc3ccccc3/C2=N\Nc2ccccc2)cc1 100142014 BEIYXMPVMVBJRQ-NJNXFGOHSA-N 357.482 5.788 30 40 FKEB CCCC[C@@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N/O)C(C)=O 104347370 QXURMVMQUSFRNL-TXFDCJEUSA-N 369.546 5.530 30 40 FKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408907374 MPINFCFUJJGUND-KLPPEWMLSA-N 366.486 5.098 30 40 FKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 1055361 NAZJLAPPVWDJEY-OEAKJJBVSA-N 374.396 5.181 30 40 FKEB Cc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 6302297 VTMYVKFZXWVDPN-OAHLLOKOSA-N 352.503 5.332 30 40 FKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 8372987 IDWDWOXAVUPNJG-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CC/C(C)=N\Nc1nc2cc3sc(N/N=C(\C)CC)nc3cc2s1 72228981 FITWDPPQUNGELQ-KFSYKRRRSA-N 360.512 5.302 30 40 FKEB CCCCCCCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 98045190 LUMXMGLFNGGCGD-UHFFFAOYSA-N 366.505 5.218 30 40 FKEB CCCCCCCCCCCCCCCCCCCCCC(F)(F)F 103526311 OCDFNZASACUUJA-UHFFFAOYSA-N 364.580 9.371 30 40 FKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(F)cc3)cc2)c1 103847952 QTFRWAQQZIKRPH-BUHFOSPRSA-N 363.388 5.435 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 219814084 KHRCWAQWBXDYTB-UHFFFAOYSA-N 353.487 5.538 30 40 FKEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408850573 OILKIHFOESDWNI-UUYOSTAYSA-N 358.869 5.197 30 40 FKEB O=C1ON(c2ccccc2)[C@H](c2cccc(Cl)c2)N1c1ccccc1 1680118 JHPKVLCYBMCAFI-LJQANCHMSA-N 350.805 5.417 30 40 FKEB O=C(/C=C(/Nc1cccc(C(F)(F)F)c1)c1cccs1)C(F)(F)F 5390798 ISLQYIWKJTXQTQ-DHZHZOJOSA-N 365.298 5.351 30 40 FKEB Cc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1ccccc1 5540852 RYJOPJIRLPQYJV-YDZHTSKRSA-N 364.832 5.357 30 40 FKEB CCCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N 6349958 GIJXIFZZSVNHCD-UHFFFAOYSA-N 356.800 5.795 30 40 FKEB O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 12504271 KUCQYCKVKVOKAY-UHFFFAOYSA-N 366.844 5.505 30 40 FKEB biogenic,world O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1cccc(Cl)c1 100392474 ADMJUEWONNHPPH-YDZHTSKRSA-N 354.236 5.975 30 40 FKEB O=[N+]([O-])c1ccc(/N=N\C(Cc2ccccc2)=N\Nc2ccccc2)cc1 104138970 IIWSYCPYQWJAEC-FOFZDOKDSA-N 359.389 5.347 30 40 FKEB CCOc1cccc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 408932839 ZVZGVSDTRJWXAU-OYKKKHCWSA-N 358.363 5.645 30 40 FKEB O=C1CCCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c12 976579 LAUNDXXEUVCXFE-HSZRJFAPSA-N 370.408 5.421 30 40 FKEB Cc1cc(C)c(/N=C/c2ccccc2O)c(C)c1/N=C/c1ccccc1O 3049826 ZGHDEPBPPHFQGG-GUJRAXHGSA-N 358.441 5.524 30 40 FKEB CCC(=O)O[C@@H]1CCC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 33679691 VBXGBFDLNSIXQO-WFTGQSOZSA-N 358.522 5.230 30 40 FKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59105133 WSJUHCWFTQQOKA-BUVRLJJBSA-N 359.425 5.277 30 40 FKEB COc1cc(/C=N\c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1 104160276 JETKZHDQKXXUDH-IWIPYMOSSA-N 359.425 5.282 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(C(C)C)cc3)cc21 223496031 DOTPADTXKPQCOE-WGOQTCKBSA-N 360.545 6.971 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cccs3)cc1)N2 408934726 FWTYOXVLFQCOAK-ROGXRUOCSA-N 370.521 6.634 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc3ccccc3c2)cc1OC 409381990 JOUJIDFDIFUBAN-YNNOXIHVSA-N 367.876 6.430 30 40 FKEB CCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1599490 JSYXGTQDOYHOPZ-UHFFFAOYSA-N 352.474 5.830 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1ccccc1 5203215 HPENASYRRYAWPO-FQEVSTJZSA-N 352.865 5.562 30 40 FKEB CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2C2CCCCC2)cc1 7781220 PSBNLWOFTHMYSH-UHFFFAOYSA-N 368.550 5.754 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1F 8570858 IFAMRJAPHNIYJU-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1 9350604 RJVGVMUTPNHHDG-UHFFFAOYSA-N 368.440 5.148 30 40 FKEB CCCCCCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21 97952344 RUAWEUJZUAVZCZ-UHFFFAOYSA-N 360.505 6.100 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)c1 225716743 LMMRYWTWBVVIIA-HXUWFJFHSA-N 354.519 5.306 30 40 FKEB COc1cc2c(cc1/C=N\c1ccc(Oc3ccc(C)cc3)cc1)OCO2 409073222 GAGSBNYLQWBCJK-QRVIBDJDSA-N 361.397 5.275 30 40 FKEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Cl 409117711 QBNPFJDMXVDSEX-PDGQHHTCSA-N 367.876 5.448 30 40 FKEB CCc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 719228 KRSXYMJCMCCGRP-DEOSSOPVSA-N 374.528 6.088 30 40 FKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1)Nc1ccc3ccccc3c12 975559 VYBQKHJYBKHYDZ-DEOSSOPVSA-N 353.465 6.149 30 40 FKEB C=CCSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 2330988 BIKFBSKYMJZFGE-UHFFFAOYSA-N 355.532 5.349 30 40 FKEB CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 6964198 DFEZQXFANDVYAP-JJIBRWJFSA-N 361.441 6.027 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCCN(C)C 104189044 UCWYGNTYSWIDSW-VAWYXSNFSA-N 366.634 6.092 30 40 FKEB C=CCOc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1 225868000 GTEGDATWKBYCRT-UHFFFAOYSA-N 366.530 5.316 30 40 FKEB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@H](C)C1 260834518 MRDFUYCKUFRYGT-PNLZDCPESA-N 372.509 5.050 30 40 FKEB N#Cc1cc(C(=O)Cc2ccc(Cl)cc2)cn1Cc1cccc(Cl)c1 1390040 KBJOTUYUEDLDAK-UHFFFAOYSA-N 369.251 5.140 30 40 FKEB CCCCCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 2289664 NHPVAAIMVBSHMF-UHFFFAOYSA-N 352.891 5.348 30 40 FKEB O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Cl)cc1Cl 2753908 DNHOMNYPUJBVBI-UHFFFAOYSA-N 360.240 5.005 30 40 FKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)cc1 4124210 PDIDWOCUZGHETO-QKIXXSFTSA-N 351.519 5.341 30 40 FKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccccc2Cl)cc1 6246570 RULHINDHGDUBCD-LFVJCYFKSA-N 363.892 5.813 30 40 FKEB [N-]=[N+]=Nc1ccc(/C=C2/CCC/C(=C\c3ccc(N=[N+]=[N-])cc3)C2=O)cc1 31319878 UZNOMHUYXSAUPB-RFTYBOQRSA-N 356.389 6.790 30 40 FKEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)cc1 32100244 LBMXZOUYFFKPLM-ZHACJKMWSA-N 368.263 6.469 30 40 FKEB CCc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59678199 IIVDAWYIUZCJEY-KGENOOAVSA-N 353.263 5.553 30 40 FKEB CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccccc21 84575353 OPCAIYWRLFVILM-MRXNPFEDSA-N 373.481 5.397 30 40 FKEB CC(C)(C)c1ccc(-c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 96346131 RXCUDJCTHSYTOU-UHFFFAOYSA-N 361.445 5.002 30 40 FKEB CCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052378 HXMBKUTXMKATOZ-FSRSKBKDSA-N 363.505 7.037 30 40 FKEB C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223353677 AGIAWAQDANPYIR-KRWDZBQOSA-N 367.489 5.183 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=CC[C@@H]32)C1 253618050 MZWRIOUCMXPLKV-HWJYPWFTSA-N 356.506 5.006 30 40 FKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966476 LWOGPQFEBKOJOA-WGOQTCKBSA-N 355.485 6.014 30 40 FKEB Cc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409098410 PVGXQBQYZFLACR-LPYMAVHISA-N 366.804 6.100 30 40 FKEB Cc1ccc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(C)c(C)c2)cc1C 991040 FGJURNYLCABTCV-UHFFFAOYSA-N 368.436 6.248 30 40 FKEB N#C[C@H](c1cccc([N+](=O)[O-])c1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1731809 GBEKEAOIGQOROL-FGZHOGPDSA-N 370.408 5.259 30 40 FKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc2ccccc2c1 3114303 IRPOTSSEEDZUER-UFFVCSGVSA-N 354.793 5.474 30 40 FKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 5161307 QKNXGGDPEQCPRC-NDENLUEZSA-N 362.450 5.560 30 40 FKEB COc1ccccc1O/C(=C\c1ccc(Cl)cc1)C(=O)c1ccccc1 5361931 ZAVSCVZLAUSJLR-QNGOZBTKSA-N 364.828 5.651 30 40 FKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccc(Oc2ccccc2)c1 6393039 XVRLBGRXXLIWOZ-HKWRFOASSA-N 372.449 5.371 30 40 FKEB Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1 18206995 BXAORLGNIRMHKN-OCEACIFDSA-N 370.496 5.189 30 40 FKEB O=C(/C=C\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33376740 UDKYLNSKRYJKFU-BAQGIRSFSA-N 355.699 5.163 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 102946817 IEDFHUQXJRJVHA-OEAKJJBVSA-N 374.396 5.181 30 40 FKEB COc1ccc(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 103756993 VZHFDSJJUFCUJJ-UDWIEESQSA-N 366.467 5.800 30 40 FKEB N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccc(Cl)cc1Cl 225887977 MQPRNFZJDILSBF-UHFFFAOYSA-N 374.296 5.448 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408590897 RHRMAURIQMCBNX-WSDLNYQXSA-N 358.272 5.847 30 40 FKEB COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cn1 409022304 MQNLJSRXZXROBF-ODLFYWEKSA-N 360.891 5.707 30 40 FKEB N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2 2746976 QGMQJFGXRAPXRY-IRXDYDNUSA-N 350.487 5.021 30 40 FKEB COc1ccc(/C=C/C(=N\N=C/c2ccccc2O)c2ccc(F)cc2)cc1 8637750 GFTFCQRPCUHCEL-CPKSCVCBSA-N 374.415 5.077 30 40 FKEB CCCC/C=C\[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97949868 VTQJUMDFJZMYAO-KXTMECRCSA-N 368.186 5.768 30 40 FKEB CCCCCCCCCNC[C@@H](O)c1cc2c(c3ccccc13)CCCC2 100690270 DXYRUPUYJUZIMF-RUZDIDTESA-N 367.577 6.092 30 40 FKEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225827713 KKLNJGSNPBULLX-HRAATJIYSA-N 360.498 5.050 30 40 FKEB C[C@@H]1CCC/C(=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 409177714 ICLHHWRAVWTAKQ-URLRMUCDSA-N 351.290 5.409 30 40 FKEB N#Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCC2 1064206 ZVEYUWYAFGLYKZ-SRZZPIQSSA-N 363.398 5.027 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[C@H](C)CC(C)(C)C4)[C@H]3C[C@@H]12 4026797 PYKDCRBJPIRCPQ-YNNPTHKMSA-N 373.581 5.059 30 40 FKEB biogenic C=CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1 6295861 HLTLTRNUWSSJPL-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB N#Cc1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195600 BWEQAUAXQLZDAL-FOKLQQMPSA-N 370.239 5.249 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc(Cl)c4O)cc3)nc2c1 17242820 JGZFJRDXFGWJBZ-FSJBWODESA-N 362.816 5.913 30 40 FKEB Brc1cccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1 18038452 YGEPNWRDCMNJAE-FFRCMLGQSA-N 364.246 6.615 30 40 FKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)cc1 26963433 CEVMXPMLMUFLDU-JOCHJYFZSA-N 355.437 5.413 30 40 FKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 32100526 LUFKDNAKCRLKPV-PKNBQFBNSA-N 350.643 5.301 30 40 FKEB CCCCCCCCCCCCCCCCc1nc2cc(O)ccc2[nH]1 97950397 AGQNTKKKHRGFIS-UHFFFAOYSA-N 358.570 7.292 30 40 FKEB Cc1ccc(C(=O)N2CCCS/C2=N\c2c(C)cccc2C)c(C)c1 103027102 PNLQSETURZJVII-DQRAZIAOSA-N 352.503 5.187 30 40 FKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1C1CCCCC1 408742038 ULCNMBBSONWXIT-NLRVBDNBSA-N 356.513 7.028 30 40 FKEB CCc1ccc(Nc2c(CC)c(C)c(C#N)c3nc4ccccc4n23)cc1 1467893 XBUFDAUDTOSPQU-UHFFFAOYSA-N 354.457 5.536 30 40 FKEB CCCCCCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 3059677 JYZZTWRENGDARI-UHFFFAOYSA-N 352.478 5.029 30 40 FKEB CCCCC(Nc1ccccc1C)=C1C(=O)CC(c2ccccc2)CC1=O 4406339 WQGVEDUIPLJFHC-UHFFFAOYSA-N 361.485 5.567 30 40 FKEB O=C(O)CCCCCCCCC#CC#CCCCCCCCCC(=O)O 5177790 XCUAGNLOPZWTEH-UHFFFAOYSA-N 362.510 5.404 30 40 FKEB N#Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 6472599 SOYOMDBQHAZWHX-UHFFFAOYSA-N 366.417 5.150 30 40 FKEB O=C(/C=C/C1=C(N2CCCC2)CCc2ccccc21)c1ccc(Cl)cc1 55153073 OLWVBKHQLGLYFP-WYMLVPIESA-N 363.888 5.532 30 40 FKEB O=C1/C(=C\c2cccs2)S/C(=N/c2ccccc2)N1C1CCCC1 100076374 YYSHSMGRAQHSIZ-SXXHPKIYSA-N 354.500 5.295 30 40 FKEB COc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 103874141 DXXSQEUIMGJGHL-GXHLCREISA-N 360.624 5.043 30 40 FKEB Cc1cccc(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408541565 DFFLRIFONHJJNA-FMCGGJTJSA-N 358.397 5.040 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C 1435138 MLDWJOHIFKCQRM-YDZHTSKRSA-N 371.396 5.770 30 40 FKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2183015 UIDBORIVBOIYLE-UHFFFAOYSA-N 374.575 5.510 30 40 FKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 4356741 XRTLHCBJCDIHGD-UHFFFAOYSA-N 371.893 5.085 30 40 FKEB C=CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 4677804 CRSFYOFQODMAHR-UHFFFAOYSA-N 361.441 5.664 30 40 FKEB Cc1cc(N/N=C/c2ccc(-c3ccccc3Cl)o2)nc2ccccc12 5447240 ASESYHHIAINJIG-YDZHTSKRSA-N 361.832 5.903 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408692052 CHWGALFSFLIEOR-SDNWHVSQSA-N 362.856 6.124 30 40 FKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccccc1 408776353 ZGZSMCXPGVHFNW-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408965858 JFUCZBNYYFRZCZ-ONUIUJJFSA-N 374.528 6.541 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/N=c3/[nH]c4ccccc4s3)c2C)cc1 1859209 IKGMCAZWBSYBJM-OEAKJJBVSA-N 374.513 5.134 30 40 FKEB C=C(C(=O)c1ccccc1)C(C(=C)C(=O)c1ccccc1)c1ccccc1 2268050 RIQPCRCWCBJEES-UHFFFAOYSA-N 352.433 5.648 30 40 FKEB Clc1c(/C=N/c2ccc(Br)cc2)sc2ccccc12 5604838 KZRWNHZMAARJMX-GIJQJNRQSA-N 350.668 6.068 30 40 FKEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 12621881 LAVVDRONNKLROP-CFDNPMOISA-N 367.493 5.066 30 40 FKEB C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)OC)c1O 38288970 GSBCCWIIKCFQKI-ZWKOTPCHSA-N 372.505 5.633 30 40 FKEB biogenic O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 408589583 DWIJTDTUWSAEJG-RGVLZGJSSA-N 356.765 5.059 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)c1 408759667 JFALWCJJMSNFPO-LPYMAVHISA-N 367.290 5.916 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)cc1 408966457 ONJMISKDDARHRQ-RCCKNPSSSA-N 370.477 5.554 30 40 FKEB COc1cc(OC)c(/C=N/c2cccc3ccccc23)cc1Br 1060012 KKXPQWZLZWGDHU-CIAFOILYSA-N 370.246 5.370 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1518321 ZSWDZDNMOLEIGB-UHFFFAOYSA-N 374.252 5.241 30 40 FKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1cc(Cl)ccc1Cl 3114249 UJVDKVZSBIGIDZ-KPSZGOFPSA-N 373.623 5.628 30 40 FKEB c1ccc(-c2cs/c(=N\N=C3CCCCC3)n2Cc2ccco2)cc1 15227868 ZPXVMSAWHDHLTP-XDOYNYLZSA-N 351.475 5.079 30 40 FKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2c1 16545738 IGVJFEKTMYUEJP-QXMHVHEDSA-N 357.331 5.547 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1C 408707053 IWJXPOFVNIGGRJ-UHFFFAOYSA-N 364.505 5.110 30 40 FKEB Cc1ccc(-n2nc(C)c(/C=N/Nc3cccc4ccccc34)c2C)c(C)c1 408992793 CBFZQNCVXVZRLX-MFKUBSTISA-N 368.484 5.705 30 40 FKEB COc1ccccc1/N=C/c1ccc(-c2ccc(C)cc2Br)o1 409220525 BARRABQPHGMFDV-CIAFOILYSA-N 370.246 5.777 30 40 FKEB CCOC(=O)c1sc(-c2ccc(C3CCCCC3)cc2)c(C#N)c1C 2075240 HSWRJYMTPPNACM-UHFFFAOYSA-N 353.487 5.820 30 40 FKEB COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 5720403 CSAIHKDWPMJVJF-YDZHTSKRSA-N 358.353 5.430 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 6959781 MTXXBPKCNQYRFA-WSDLNYQXSA-N 364.272 6.016 30 40 FKEB CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C 89914081 WDCCUYLBKYBQEA-OUCADQQQSA-N 370.802 5.168 30 40 FKEB CCCCCCCSc1nsc(SCCCCCCC)c1C#N 104161730 GRTDMSAJVQWUEL-UHFFFAOYSA-N 370.653 7.140 30 40 FKEB CCCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408531658 PVXXTGGWRSKYBK-ATVHPVEESA-N 372.877 5.020 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccc([N+](=O)[O-])cc1 677603 KYFRHKGBIUXBGP-HSZRJFAPSA-N 370.408 5.421 30 40 FKEB CC1(C)[C@H]2CC[C@]1(C)[C@@](C#Cc1ccccc1)(OC(=O)c1ccccc1)C2 4602270 XDDNUZKIVVPKLM-TUSQITKMSA-N 358.481 5.480 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1OC 6341221 IZSGERQDUFDEEV-WYMLVPIESA-N 374.436 5.179 30 40 FKEB C[C@H](NC/C(O)=N/C1(C#N)CCCCCC1)c1ccc(Cl)cc1Cl 32906721 LDJOAHXNESYDMF-ZDUSSCGKSA-N 368.308 5.217 30 40 FKEB Cl/C(=N/c1cccc2ccccc12)N(c1ccccc1)c1ccccc1 100134145 XWFIEOIMMLRDEE-BZZOAKBMSA-N 356.856 6.904 30 40 FKEB in-vitro CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N 225848702 RDBCAFIUAHRNJK-NRFANRHFSA-N 360.498 5.050 30 40 FKEB CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 408907024 FYJMNMBXXIJHJC-AVJLYGTLSA-N 374.868 5.411 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1Cl 409014915 QGDKXEAXHWPUEL-JYQBEENSSA-N 366.244 5.620 30 40 FKEB CCCOc1ccc(/C=N/c2ccc3nc(SC)sc3c2)c(O)c1 3250986 GXGNWYTUJRNINS-YBFXNURJSA-N 358.488 5.263 30 40 FKEB N#Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 3431014 POJFQAATCKANFI-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1 4070078 BUZOSHBMZVVXHV-AWEZNQCLSA-N 368.502 5.176 30 40 FKEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1F)c1c(ccc3ccccc13)N2 4868223 WKVQFMNVVWDLMS-QFIPXVFZSA-N 361.391 5.683 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1OC(F)F 6049150 XBMUXJLJYWAIPP-FPYGCLRLSA-N 374.717 5.439 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1C 213160582 AABYTMHYGDCCOE-CUNGHOPLSA-N 356.878 5.136 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)c1 408765722 NKIGETKTEGKPRS-FMCGGJTJSA-N 357.284 6.460 30 40 FKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1Cl 408769385 SMRGGHDQDLKPPQ-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB COc1cccc(OC(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)c1 1083811023 NGOSMTUNPUSPBE-UHFFFAOYSA-N 368.248 5.478 30 40 FKEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)c1ccc(Cl)cc1 841936 XGOHGKDUAYUBOZ-UHFFFAOYSA-N 370.886 5.310 30 40 FKEB CN(C)C1=C(c2ccccc2)C(=O)C(c2ccccc2)=C1c1ccccc1 1563361 BKXUTDTVTDZUDB-UHFFFAOYSA-N 351.449 5.153 30 40 FKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)ccc2O)c1 6263832 QSNOOEIHHMSTMY-KEBDBYFISA-N 351.233 5.188 30 40 FKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(C)cc2)cc1 17106684 UMRMMOLWURYTSL-GDNBJRDFSA-N 350.458 5.767 30 40 FKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OCC 993821 VBCCULYKMZZEGL-LPYMAVHISA-N 354.475 5.047 30 40 FKEB Cc1ccc(C)c(NC(=O)CCC(=O)[C@@H](C#N)c2cccc3ccccc23)c1 1613996 IIUBCJNFBHMNJO-NRFANRHFSA-N 370.452 5.052 30 40 FKEB CCOc1ccc(/C=C2/CCC/C(=C\c3ccc(OCC)cc3)C2=O)cc1 2749124 KBKAXUOCBIAHQQ-ARHRGINZSA-N 362.469 5.704 30 40 FKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 4074985 BDUZAOKMWOWWMI-HJPURHCSSA-N 372.493 5.728 30 40 FKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 16526197 NSCMAUPZFNLHBJ-SEYXRHQNSA-N 357.331 5.547 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 51318915 MGYHYEQKCDPTFO-MDZDMXLPSA-N 369.770 5.566 30 40 FKEB N#Cc1c(/N=C/C(Br)=C\c2ccccc2)sc2c1CCCC2 105720993 GCPGBSZUILHZKI-WEKHIVAVSA-N 371.303 5.637 30 40 FKEB CC(C)(C)NC1CCC(C(C)(C)C2CCC(NC(C)(C)C#N)CC2)CC1 255188866 MBXPOLKUUHNFFX-UHFFFAOYSA-N 361.618 5.410 30 40 FKEB C#Cc1cccc(N2C(=O)c3cc4ccccc4c(-c4ccccc4)c3C2=O)c1 3150505 UFLWXMGSYZJBGM-UHFFFAOYSA-N 373.411 5.289 30 40 FKEB COc1cc2ccccc2cc1C(=O)Nc1ccccc1SCCC#N 4176919 DDXIFTRIVSTOIX-UHFFFAOYSA-N 362.454 5.106 30 40 FKEB CC[C@@H](C(=O)/C=C/c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4266898 MDGSZSJIRYOQHA-ICKXZMSSSA-N 356.506 5.299 30 40 FKEB Cc1ccc([C@@H]2CC(=O)C=C(Nc3[nH]nc(C)c3-c3ccccc3)C2)cc1 6721540 KZCLLFGUXWHVHT-IBGZPJMESA-N 357.457 5.136 30 40 FKEB N#Cc1c(N)nc2c(sc3nc4c(cc32)CCCCC4)c1-c1ccccc1 19832373 PFOFIPLDUWUDAW-UHFFFAOYSA-N 370.481 5.234 30 40 FKEB O=C(C1=C[C@H]2Cc3ccccc3[C@@H]2C=C1)c1ccc(Br)cc1 36692408 YOUJEBXQCVILQB-VQIMIIECSA-N 351.243 5.084 30 40 FKEB CCCCOc1ccc(/C=N/N=c2/[nH]c(-c3ccccc3)c(C)s2)cc1 59193819 AHXIEFSAHMNRBG-PXLXIMEGSA-N 365.502 5.165 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 96758942 RPEISQZPXHGXLM-LPYMAVHISA-N 373.437 5.931 30 40 FKEB CCCCCCCCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 104260049 GLZRHJFPZLBSSW-SFTDATJTSA-N 354.575 6.578 30 40 FKEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253370243 OEFVYGZGLIGBOP-GBXSTFOKSA-N 366.549 5.415 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(Cl)c(Cl)c1 2269726 QVURMGRHYBQPDC-UFFVCSGVSA-N 364.663 5.892 30 40 FKEB S=C(N/N=C\c1cccc2ccccc12)Nc1c(Cl)cccc1Cl 5181404 GHRXVIPWGQAFPJ-NHDPSOOVSA-N 374.296 5.467 30 40 FKEB CC(C)Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 5284669 NGZYUPQBJJLDTI-XMMPIXPASA-N 374.528 6.107 30 40 FKEB Clc1cccc(/C(Cc2nc3ccccc3[nH]2)=N\Nc2ccccc2)c1 6025680 KTSSXWGFRCFMAD-QOMWVZHYSA-N 360.848 5.275 30 40 FKEB C/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)s1 38198140 IRSRPZLPJHYVES-GXHLCREISA-N 353.196 5.910 30 40 FKEB CCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 97955183 JONJPQUIAFESGG-UHFFFAOYSA-N 361.489 6.107 30 40 FKEB CCCCC[C@H](F)/C=C/[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)O 252461258 LQQORSBLZLAVKX-NDOQHODISA-N 355.494 5.743 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc4ccccc34)c2C)cc1C 408741451 PUIFUGJCZBVYKW-QQXSKIMKSA-N 352.481 6.615 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\Cc2ccc(OC)cc2)c1C 408847426 MNTBNKZYYFVOGS-XYGWBWBKSA-N 360.501 5.593 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(C(=O)OC)cc3)ccc21 672088 NYWLDPVSBIVGIP-BUVRLJJBSA-N 356.425 5.352 30 40 FKEB N#CCC[C@@](C#N)(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 3134438 NXLREFNFZXELQG-XMMPIXPASA-N 350.421 5.031 30 40 FKEB O=C(/C=C\Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 4905407 YABGWRDFEBQYMX-KTKRTIGZSA-N 352.777 5.210 30 40 FKEB CCc1ccc(-c2csc(N/N=C(\C)c3ccc(Cl)cc3)n2)cc1 4957148 UKZOWVKHMKAFGD-LPYMAVHISA-N 355.894 5.862 30 40 FKEB N#CCSc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C#N)CCCC2 5616225 FRIZAWCTXNWXHF-UHFFFAOYSA-N 374.296 5.422 30 40 FKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 8111133 LPJUOEVJBLTODB-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C)c1 8664719 NLUGIOUPORJDTC-NCELDCMTSA-N 360.486 5.384 30 40 FKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl 13640002 IEGBMBHBBRZNOT-SFHVURJKSA-N 372.255 5.221 30 40 FKEB CCC(=O)O[C@H]1CCC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 33679695 VBXGBFDLNSIXQO-NGJIECEZSA-N 358.522 5.230 30 40 FKEB Clc1ccccc1Cn1cc(/C=N/Nc2ccccc2)c2ccccc21 58822755 IEXPWJQLBOUSKL-ZVHZXABRSA-N 359.860 5.789 30 40 FKEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cccc(OCC)c1O 100182710 RYDUWQRWTTYGPH-FSJBWODESA-N 367.367 5.349 30 40 FKEB C=CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 226360161 AMTVLEIHAWGPRU-UHFFFAOYSA-N 368.230 5.007 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408691756 OYPKOYPVWYPMES-NTCAYCPXSA-N 362.856 6.124 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 408954601 TYWPSOHPALDSAZ-XKZIYDEJSA-N 358.272 5.601 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cc(C)ccc3C)c2C)c1 408965127 GIZHWWPXCIJFQS-MYYYXRDXSA-N 374.484 5.638 30 40 FKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(C(C)(C)C)cc1 408965851 JDOFRHACDTUMOJ-WPWMEQJKSA-N 372.556 7.266 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409208423 FWPQRPNWLLXRIJ-CIAFOILYSA-N 374.278 5.390 30 40 FKEB C(=N/N=C1\Nc2cccc3cccc1c23)\c1cccc(Oc2ccccc2)c1 3180857 MISNAXKAERLHAN-PCLIKHOPSA-N 363.420 5.838 30 40 FKEB CC(C)c1ccc(/N=C2\CCCc3c2[nH]c2ccc(C(C)(C)C)cc32)cc1 4350944 CMWNXTVTPTZIDI-WNAAXNPUSA-N 358.529 7.046 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1Cl 6880715 IMHKKGYFOKPXDC-UFFVCSGVSA-N 356.680 6.495 30 40 FKEB COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 59500239 OLXRTIPBVAQJNJ-JJIBRWJFSA-N 353.425 5.299 30 40 FKEB CCCCCCCCCCCC(=O)OC[C@]1(C)COC(c2ccccc2)=N1 104326472 VTCZCBWNQMSXCP-HSZRJFAPSA-N 373.537 5.686 30 40 FKEB N#Cc1cn(C(=O)c2sc3cc(Cl)ccc3c2Cl)c2ccccc12 226361743 FLWRLLFVYRKKSQ-UHFFFAOYSA-N 371.248 5.723 30 40 FKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408854840 ACTAAWPPPIFIDY-DHDCSXOGSA-N 363.269 5.193 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Cc2ccc(C(=O)O)cc2)c1C 408960009 HZEDHZSNVFHWIX-MFKUBSTISA-N 374.484 5.282 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409211751 OCYWONJJMWGPRD-SRZZPIQSSA-N 350.245 5.626 30 40 FKEB Fc1ccc(OCOc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1 2362803873 XRGAHNIPTACAFO-UHFFFAOYSA-N 372.211 5.418 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccsc1 1079521 XEANYCRFUSHQKW-CQSZACIVSA-N 369.461 5.051 30 40 FKEB Fc1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)c(Cl)c1 1435204 AJFANVPQJRDSCQ-FSJBWODESA-N 350.780 6.038 30 40 FKEB O=C(/C(=C\c1ccccc1)c1ccccc1)c1ccc(Br)cc1 4769322 HADJEVHTUPMYGT-HKWRFOASSA-N 363.254 5.873 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 4869412 INKWBHXDNYIECB-WSDLNYQXSA-N 358.272 5.847 30 40 FKEB O=C1/C(=C\c2ccccc2O)S/C(=N/c2ccccc2)N1c1ccccc1 6228725 HAMQEJWEZUSIKU-MPIQAULUSA-N 372.449 5.201 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1 6340145 LTPZSLFCPAIRTK-RIYZIHGNSA-N 374.436 5.179 30 40 FKEB CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 6963910 SYZCVHOUVIOWTM-VXLYETTFSA-N 352.659 5.560 30 40 FKEB O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1ccccc1 12377893 CZWMAOFHNLDNJK-NSWHACQGSA-N 351.405 5.808 30 40 FKEB Cc1cc(C)cc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)c1 12648717 UZRNJRZHHBJIEA-UHFFFAOYSA-N 366.468 5.598 30 40 FKEB CCCCCCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 19939976 WQKBSVUOJQXKOO-UHFFFAOYSA-N 353.466 5.057 30 40 FKEB CCCCCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 102627202 KAQVJYLXSVBZNF-UHFFFAOYSA-N 374.484 5.132 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)o1 103780852 QBKZWDJZOXFXOA-KEBDBYFISA-N 367.748 5.400 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OC 409209149 HIHZFUFTYISOCF-DJKKODMXSA-N 368.658 5.179 30 40 FKEB CCCCc1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 409374891 AZZYBYLXMVLPJN-WTJYETQFSA-N 373.924 6.619 30 40 FKEB CCN(CC)CC#CC[C@@H](c1ccccc1)c1ccccc1Br 2282487 RVPLHAMOIKDANG-IBGZPJMESA-N 370.334 5.316 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccccc13)C2=O 8765531 JQCASQXEZMQFFV-SSDVNMTOSA-N 359.425 5.232 30 40 FKEB biogenic CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(-c3ccccc3)c2CO1 13510838 JJTBTBCGTXZAGJ-UHFFFAOYSA-N 361.489 5.216 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)cc(Br)c1O 16347242 CZWKEMJDDFTMJU-CNHKJKLMSA-N 359.050 5.521 30 40 FKEB CCCCCCCC/C=N/NC(=S)N/N=C/CCCCCCCC 104376454 UQCIIMNXRDVICN-PHEFWILJSA-N 354.608 5.923 30 40 FKEB CSc1ccccc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408961461 MLVIJGWFYBSXNM-CIAFOILYSA-N 351.427 5.426 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccccc1Cl 409202216 QFXIZBOBIXHYBH-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB COc1ccc(C(=O)/C=C/Sc2nc3cc(Cl)ccc3s2)cc1 1041309 IUOJXFBNYLTDOO-CMDGGOBGSA-N 361.875 5.447 30 40 FKEB CCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 2071726 YYHJBKJQGSAUSY-UHFFFAOYSA-N 373.880 5.720 30 40 FKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1F 6961642 MQCBBMRBOOSAHR-MFKUBSTISA-N 363.432 5.862 30 40 FKEB CCCCCCCCCCCCCCCC(=O)n1cnc2ccccc21 8425650 NIJXEQQKJDHXMN-UHFFFAOYSA-N 356.554 7.158 30 40 FKEB CCCCCCCCC[C@@](C)(O)C#C[C@](C)(O)CCCCCCCCC 30729242 SVJREAUWQPERAY-DNQXCXABSA-N 366.630 6.773 30 40 FKEB biogenic,in-vitro C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(Br)c(Cl)c1 32100422 ZEKSVMYVICSEOR-FMIVXFBMSA-N 364.670 5.610 30 40 FKEB C=CCNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33027068 UARVUPIBCKCLTB-UHFFFAOYSA-N 371.396 5.136 30 40 FKEB N#C[C@@H](c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 36249995 BQDVOCMNUGYZHR-GOTSBHOMSA-N 371.871 5.756 30 40 FKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2cccc(Cl)c2)cc1 59104831 XALMZBFBDZXVSI-YDZHTSKRSA-N 365.816 5.368 30 40 FKEB CCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@@H]12 70665157 CYZKFNCUYBQMOB-WMZHIEFXSA-N 356.554 6.339 30 40 FKEB biogenic CC/C(C)=N\Nc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 72229740 UXVOOBQDMBSQJA-JJFYIABZSA-N 372.881 5.400 30 40 FKEB Clc1ccc(-c2ccc(/C=N/c3ccc4c(c3)oc3ccccc34)o2)cc1 103756827 OIVLLROHIJRQAF-AFUMVMLFSA-N 371.823 7.250 30 40 FKEB C[C@@H](c1ccccc1)N([C@@H](C#N)C(F)(F)c1ccccc1)[Si](C)(C)C 217337992 SIUAAPWSNBBLLS-LPHOPBHVSA-N 358.508 5.569 30 40 FKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3cccc(C)c3C)c2)c1 409217044 NMXXKMCVMYVMHK-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB O=C(O)c1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 409233959 ITTOSPARPIIZJX-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3cc(C)ccc3C)o2)c(Br)c1 409238580 LENUCQRFISAYOX-UUYOSTAYSA-N 368.274 6.385 30 40 FKEB CCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1Br 409341463 BBDFGFAKECGTJU-MHWRWJLKSA-N 361.260 5.177 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccsc1 1076736 GKDVYKIAIHZAIR-INIZCTEOSA-N 369.461 5.051 30 40 FKEB CC(C)(C)c1ccc(C(=O)C[n+]2ccc(Cl)c3ccc(Cl)cc32)cc1 1595206 BDRFOMIBFWKBDR-UHFFFAOYSA-N 373.303 5.615 30 40 FKEB Cc1ccc(Sc2ccc(NC(=O)c3cccc(C)c3)cc2C#N)cc1 3104525 RCUQCYLFKWTJQT-UHFFFAOYSA-N 358.466 5.579 30 40 FKEB Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccccc1C#N 39794243 OGNVCPVQYFEYFQ-UHFFFAOYSA-N 371.223 5.686 30 40 FKEB CCCCCCCCC(O)(CCCCCCCC)CCCCCCCC 95735982 GIJUBRUJCGBQEM-UHFFFAOYSA-N 368.690 8.969 30 40 FKEB CCCCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 102998103 DDPJQMPWGGYLRI-RBBKRZOGSA-N 356.554 5.270 30 40 FKEB biogenic CCCCCCCCCCCCS(=O)(=O)CCC(=O)c1ccco1 104194840 IERCCJARSSTLSC-UHFFFAOYSA-N 356.528 5.188 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2C)cc1 213170163 CTXKTODYBGEDIR-ZIGJTDFESA-N 364.514 5.526 30 40 FKEB O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408912288 PRUOANLGTBIXJX-SUJVXMJXSA-N 374.465 5.126 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl 409116683 OLMBJFIMFNCJKD-UHFFFAOYSA-N 354.664 5.579 30 40 FKEB COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(C)cc2)NC1=O 1023230 NHBZAAOMXCRKPN-MOSHPQCFSA-N 374.465 5.048 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(Cl)cc3)cc1)C2 2897833 BLTPPYAENACWSE-DHRITJCHSA-N 360.888 6.228 30 40 FKEB Cc1ccccc1Sc1ccc(NC(=O)c2ccc(F)cc2)cc1C#N 3104522 ONXSXQBZUHQXJL-UHFFFAOYSA-N 362.429 5.409 30 40 FKEB N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 4002810 AAOVPIFHKSTCDI-SDNWHVSQSA-N 353.400 5.266 30 40 FKEB O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2ccc(O)cc2)c1 4614747 ZOVQAAUVXNQYLE-LPYMAVHISA-N 350.805 5.049 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C#N)C1 4679996 RXESSQOVHJWKIT-HNNXBMFYSA-N 358.551 5.680 30 40 FKEB COc1ccccc1NC(=S)NN=C1CCCCCCCCCCC1 6298611 CHDAIMRSRVRPRP-UHFFFAOYSA-N 361.555 5.642 30 40 FKEB C=CCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1ccccc1 6303717 YLCCWBYOLBTXIC-WMUNDEBQSA-N 354.862 5.130 30 40 FKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1Cl 17076535 JQPCIMNGRPNCQD-UHFFFAOYSA-N 373.884 5.140 30 40 FKEB SC1=NC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 17154883 JNLPISNKOBIBJC-BSYVCWPDSA-N 356.454 5.253 30 40 FKEB Cc1ccc(/C=C/C(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 59503643 IQSFHQSWUINIMA-VAWYXSNFSA-N 367.492 6.028 30 40 FKEB CCCCCCCCCCCNC(=O)c1c(-c2ccccc2)noc1C 97941883 DLELUDZYHKYDES-UHFFFAOYSA-N 356.510 5.911 30 40 FKEB C=CCC(C(=O)Nc1ccc(OCC)cc1)(c1ccccc1)c1ccccc1 225935447 UVIYIYTUSIOECA-UHFFFAOYSA-N 371.480 5.586 30 40 FKEB Clc1cc(/C=N/c2ccccc2)ccc1OCc1cccc2ccccc12 409200776 JILYJTPUXONMDI-WGOQTCKBSA-N 371.867 6.823 30 40 FKEB O=C1C(O)=C(CCCCCCCCC2CCCCC2)C(=O)c2ccccc21 4216843 MGDIRAXSDLCQGC-UHFFFAOYSA-N 368.517 6.579 30 40 FKEB in-man FC(F)(F)c1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 4923657 KXQPQSRLNAFNKX-QPSGOUHRSA-N 367.585 6.112 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc(C)c4O)ccc3o2)cc1C 6504497 QUSSQDJXSHUFJV-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16917214 HVECIOWVJFWABA-KZOYSFSASA-N 372.425 5.230 30 40 FKEB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C#N)o2)cc1Cl 17074674 SIVFVCLDHNGJQS-PKNBQFBNSA-N 362.816 5.432 30 40 FKEB CCn1c(C)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1C 409105603 JAGIIXKWCRHMCV-OEAKJJBVSA-N 352.865 6.321 30 40 FKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)c1 409216672 NRTOCXDYMGSGHB-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CCc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1CCCC2 626137 SHTJVIIQMURCII-UHFFFAOYSA-N 370.905 5.023 30 40 FKEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 985345 BWEMJKNJQZOALT-UHFFFAOYSA-N 358.466 5.212 30 40 FKEB Brc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)s1 2729479 DQVKVNLZTNVPEJ-DEDYPNTBSA-N 369.287 5.382 30 40 FKEB CCCCCCCCCOC(=O)c1sc2nc(C)c(C)c(C)c2c1N 3625143 GOFWXGJXMMKEPL-UHFFFAOYSA-N 362.539 5.711 30 40 FKEB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C#Cc2ccccc2)cc1 12691000 SXOAZOVPUIPSCV-UHFFFAOYSA-N 365.354 5.358 30 40 FKEB C(=N\Nc1nc2ccccc2s1)\c1cccc(OCc2ccccc2)c1 33395724 CAXUSBRFKNHHGJ-HMAPJEAMSA-N 359.454 5.321 30 40 FKEB CCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 35586025 JCEVKUUCGFGIIJ-HYARGMPZSA-N 359.853 5.748 30 40 FKEB CCCCCCCCCCCCCCCC[C@@H](CCC)c1ccccc1 100133453 RFNYELHDUBVQMR-RUZDIDTESA-N 358.654 9.442 30 40 FKEB CCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 100286108 PAGWLSHATCUPKH-UHFFFAOYSA-N 358.353 7.243 30 40 FKEB CCCCCCCCc1ccc(-c2ccc(SCCCCC)cc2)nc1 100497634 ICKZESLYFRUZEN-UHFFFAOYSA-N 369.618 7.934 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219816117 GEBYIBWZKRDOFJ-HXUWFJFHSA-N 369.530 5.491 30 40 FKEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408933262 ACUUBVWAFWWDES-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1Cl 409039652 HFDCUVHAXDXVRD-SRZZPIQSSA-N 350.809 5.231 30 40 FKEB N#Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409090545 NUAVSUBDUFASCP-CVKSISIWSA-N 356.469 5.482 30 40 FKEB C[C@@H]1C[C@H]1c1nc(C#N)c(NCc2ccc(Oc3ccc(F)cc3)cc2)o1 1775976584 RZWQSAVYUHONOX-FZKQIMNGSA-N 363.392 5.213 30 40 FKEB CC(/C=N/Nc1ccc(Br)cc1)=C\c1ccc(C(C)C)cc1 3150848 STBPMMVCPSTKSN-XLLHXKPXSA-N 357.295 6.074 30 40 FKEB C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084862 FYBHBBKESHGKEN-IYFKYTRQSA-N 366.417 5.055 30 40 FKEB N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCC2 4173493 URMDLQHAIDNJFU-UHFFFAOYSA-N 357.287 5.119 30 40 FKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccccc1C(C)C 32100496 VFVACLCUNNEKGU-WYMLVPIESA-N 358.279 5.771 30 40 FKEB OC1=NC(=N\c2ccc(F)c(F)c2)/C(=C\c2ccc3ncccc3c2)S1 95477657 ARVYRXXNZPPCCF-RQZCQDPDSA-N 367.380 5.245 30 40 FKEB CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@H](C)O 95762541 FPUPOIFZQAFGAI-QFIPXVFZSA-N 369.634 6.477 30 40 FKEB Cc1ccc(C(=O)/C=C/C2=C[C@H]([C@@H]3CCCCCN3)c3ccccc32)cc1 97447428 AESHSURTBODTEF-YNBDVOJHSA-N 357.497 5.447 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cn1 98001453 YEIAWXWSUJWPHV-UHFFFAOYSA-N 374.613 7.590 30 40 FKEB Cc1ccc(N/C=C/c2onc(-c3c(Cl)cccc3Cl)c2C#N)cc1 100142791 HQXQJJCBTYNUTC-MDZDMXLPSA-N 370.239 5.911 30 40 FKEB O=C(/C=C\Nc1ccc(Cl)cc1F)c1ccc(Br)cc1 100937552 ITVUXAIXNSMATR-FPLPWBNLSA-N 354.606 5.050 30 40 FKEB CCCCCCCCSC1=NC2(CCCCC2)[C@H]2CCCC[C@H]2O1 101528429 DQKVAPVRKSJLIZ-RBUKOAKNSA-N 351.600 6.728 30 40 FKEB FC(F)(F)c1cccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)c1 408734330 VDHCUURNUAIKAK-LGJNPRDNSA-N 366.386 5.976 30 40 FKEB COc1ccc(-n2cccc2/C=N\c2ccc(C)cc2Br)cc1 408846077 IIXYGVCVSOPZMD-BKUYFWCQSA-N 369.262 5.307 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 409210565 LLCAYKHAUVTRSD-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB N#C[C@@H](c1ccc(Nc2ccccc2)nn1)c1ccc(Cl)cc1Cl 1400174 GBHINRBSLSPSLF-OAHLLOKOSA-N 355.228 5.182 30 40 FKEB CC(C)c1cc(N[C@H](C)c2ccccc2)n2c(nc3ccccc32)c1C#N 1473008 WIDVGYMQRSUVAI-MRXNPFEDSA-N 354.457 5.656 30 40 FKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 8811670 ZLYMUWZOELLQIF-ZMOGYAJESA-N 372.299 5.525 30 40 FKEB CC(C)=NNc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 72229691 LIRCMZOMSQYJEH-UHFFFAOYSA-N 364.430 5.103 30 40 FKEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225846800 UJTMBXCQJCOCAS-KKSFZXQISA-N 360.498 5.050 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1I 408553134 XUQBSMHTGJZKJW-RQZCQDPDSA-N 355.606 5.004 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)cc1 408753872 OMSPZXVAIFZFHM-NLRVBDNBSA-N 373.544 6.253 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409208342 ATRDZLNIWZDTPS-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB Cc1ccccc1/N=C\c1cccc(OCc2cccc3ccccc23)c1 409213429 UZXHSPOZAWHCOM-ONUIUJJFSA-N 351.449 6.478 30 40 FKEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 829057 FFYZCTIAPVYXFP-FZMZJTMJSA-N 369.317 5.028 30 40 FKEB CCCCCCCCc1cnc(-c2ccc(-c3ccc(O)cc3)cc2)nc1 3065697 SUCCBVBTNURMFV-UHFFFAOYSA-N 360.501 6.419 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2c3ccccc3cc3ccccc23)nc1 5174251 PEKOEHYEXSJWCB-LGJNPRDNSA-N 365.358 5.853 30 40 FKEB Fc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5685072 IZSSEMNPKRYJNF-BUVRLJJBSA-N 373.456 6.062 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@H]1C 6084225 HBJNHROHBMWODL-MRRJBJDNSA-N 362.926 5.238 30 40 FKEB CCCCCCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 8453930 WCZBACKYHAQNQP-UHFFFAOYSA-N 370.625 6.646 30 40 FKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 10118939 REHFJCQWIVDVFM-ZMOGYAJESA-N 372.299 5.525 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 13230307 IGYCILOUXGUCMY-MFKUBSTISA-N 363.420 5.839 30 40 FKEB CSc1ccc([C+](c2cccs2)c2ccc(SC)s2)s1 16248783 ALYZGHLKTJADTC-UHFFFAOYSA-N 353.604 6.334 30 40 FKEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 84027028 IQJOASWDZWYCPO-CYBMUJFWSA-N 365.845 5.230 30 40 FKEB CSc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 96766969 UNYFSVJQOBDQQP-FIWMFUAISA-N 358.462 5.809 30 40 FKEB CCCCCCCc1cnc(-c2ccc(OCCCCCC)cc2)nc1 100073832 BHNCKGFFWRYBIL-UHFFFAOYSA-N 354.538 6.616 30 40 FKEB CCCCCCCCCCCCCCCCO[C@H]1CCS(=O)(=O)C1 100500115 XKIKVSBMWXPRBQ-FQEVSTJZSA-N 360.604 5.671 30 40 FKEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408760179 TVYAOUFKVPFMKQ-QRVIBDJDSA-N 366.848 5.285 30 40 FKEB CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1c(C)cccc1C 408915284 ZBWODUOFYQKLCB-DOXJHMMXSA-N 356.516 5.297 30 40 FKEB COc1cccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)c1 409098783 PJHGGQAMDONOCX-PCLIKHOPSA-N 369.420 6.097 30 40 FKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(C)ccc3C)cc2)c1 409210800 MNKXKQZLPKENHX-MFKUBSTISA-N 372.468 5.380 30 40 FKEB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(F)cc1 4994627 FRSHRQAJGUOAGM-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB Cc1cc(C(=O)/C=C(/C(=O)c2ccccc2)c2ccccc2)ccc1Cl 5188513 KUYWXRYNHMGPBH-HMMYKYKNSA-N 360.840 5.798 30 40 FKEB Cc1ccc2c(c1)-c1ccccc1/C2=N\c1ccc2c(c1)Cc1ccccc1-2 12462700 ZGWSRQNDLJAPSO-BYYHNAKLSA-N 357.456 6.716 30 40 FKEB CCCCc1ccc2nc(C)cc(N/N=C\c3ccc4c(c3)OCO4)c2c1 31769291 AJSOFEXYDZOEQI-QRVIBDJDSA-N 361.445 5.061 30 40 FKEB CCCCCCCCCC(C(=O)OCC)(C(=O)OCC)C1CCCC1 104139988 RASJCQRLWVIJKR-UHFFFAOYSA-N 354.531 5.430 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 198150424 ZPJSKNULNIFXSZ-ZVHZXABRSA-N 361.489 5.336 30 40 FKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccccc3)c2C)ccc1Cl 408738096 NOVNUOUPKKHIPW-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C1 995041 VSTKXGNJLNFDBJ-ONOODXEBSA-N 364.514 5.423 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C#N)C1 4173499 KCTWOJFQHFGUGA-SSDOTTSWSA-N 371.314 5.365 30 40 FKEB N#C/C(=N\Nc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1 4492157 OPZHYLBIJYIYCO-MFKUBSTISA-N 372.375 5.169 30 40 FKEB COc1ccc(/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223542296 DVWMEPVEEVSEJE-WMWHPZEKSA-N 350.506 5.946 30 40 FKEB C=CCOc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225307845 ZLQZVRVCWANIIP-UHFFFAOYSA-N 367.301 5.045 30 40 FKEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(C(C)C)cc3)sc1CC2 408723559 WLMOQVBJPIGPTQ-YDZHTSKRSA-N 362.498 5.791 30 40 FKEB CCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 408911344 KDHGWGFRRUORCL-KLPPEWMLSA-N 350.487 5.317 30 40 FKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409114347 JFFRMVZSKDFNPJ-UHFFFAOYSA-N 373.496 5.923 30 40 FKEB N#CCSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 2073093 HPDKEPDJCJRROH-UHFFFAOYSA-N 361.857 5.556 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 3896882 KNBKVKYQCZKINX-BUVRLJJBSA-N 360.457 5.813 30 40 FKEB O=C(Cc1ccccc1)C1=CCC(c2ccccc2)(c2ccccc2)CC1 4265077 AICMCMSHZWNSRR-UHFFFAOYSA-N 352.477 5.895 30 40 FKEB biogenic S=C(N/N=C\c1ccc(-c2cccc3ccccc23)o1)Nc1ccccc1 5009011 PXKARDZZUVNGJX-HAHDFKILSA-N 371.465 5.420 30 40 FKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 5218641 NUMJILWQNZNVDG-NDENLUEZSA-N 362.450 5.560 30 40 FKEB Cc1ccc(N[P@@+](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1C 5614436 MKULYEDYDYTCOG-VWLOTQADSA-N 356.474 5.178 30 40 FKEB CC[n+]1c(-c2ccccc2)c2cc(N=[N+]=[N-])ccc2c2ccc(N=[N+]=[N-])cc21 14982786 GZFVOFMKXXTWQE-UHFFFAOYSA-N 366.408 6.851 30 40 FKEB CCCCCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1CCCC 19708258 SVKABUGNQALKCM-UHFFFAOYSA-N 366.465 5.186 30 40 FKEB C=CCSc1ccccc1NC(=O)c1cc(Br)ccc1F 25734249 ISZRABDEOCEIJB-UHFFFAOYSA-N 366.255 5.119 30 40 FKEB CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N 33026998 PEIMGDZUZTVRGP-HNNXBMFYSA-N 365.433 5.213 30 40 FKEB CCCCCCCn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21 50860171 CQHMFLLPLGFJPR-KOEQRZSOSA-N 358.489 6.239 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59248937 BSPYIOVPQQYLKL-XQNSMLJCSA-N 351.881 5.728 30 40 FKEB CN1[C@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@@H]1c1ccccc1 73257543 VUCFRUBUXMGNIA-PLQXJYEYSA-N 370.496 5.767 30 40 FKEB CCCCCCCc1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 100984481 JUTCIZFINAWAQM-ZJSXRUAMSA-N 355.566 6.240 30 40 FKEB CCN1c2cc(C)c(C=C3C(=O)c4ccccc4C3=O)cc2[C@H](C)CC1(C)C 113790755 PVYKEXKXYSOFFD-MRXNPFEDSA-N 373.496 5.570 30 40 FKEB CCCc1sc(N/N=C/c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 408755204 ISKNWKIPFNPQKQ-LPYMAVHISA-N 369.921 6.170 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)cc1 408765228 KSTIMLBGHHOLIK-ONUIUJJFSA-N 352.481 6.560 30 40 FKEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 408791199 WOIWFLLAUGVTTC-HYARGMPZSA-N 367.290 5.476 30 40 FKEB Clc1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 408855109 CBBFSLUHYAVECW-UDWIEESQSA-N 359.654 5.644 30 40 FKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccc(Cl)cc1 3211596 RMWJFWRBEXBULW-UHFFFAOYSA-N 367.901 5.966 30 40 FKEB CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OC 6957954 BVCZPDOFISWHLR-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 7939557 XVZVTHRNXJYJLO-PKNBQFBNSA-N 363.369 5.068 30 40 FKEB N#Cc1c(SCc2ccccc2)noc1-c1ccc(Cl)c(Cl)c1 12624541 WJEGGPQQYRCQJM-UHFFFAOYSA-N 361.253 5.812 30 40 FKEB CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820415 ODLYRMZKGGMMOJ-UHFFFAOYSA-N 374.513 5.778 30 40 FKEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c1 19934502 DSYKLFMJSZATNJ-QFIPXVFZSA-N 361.441 5.201 30 40 FKEB N#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 22258148 BOCFEHCTALHAFF-UHFFFAOYSA-N 362.816 5.043 30 40 FKEB CCCCCCCCCCCCCCCCNc1nc(C)cc(S)n1 104192286 VBJDCHOPTSRZKU-UHFFFAOYSA-N 365.631 6.967 30 40 FKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)cc3C)cc2)c1 409214646 ZAUNBOGRBPSDEP-MFKUBSTISA-N 372.468 5.380 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3C)c2C)cc1 843455 SHQLEQFJVOMDBL-MFKUBSTISA-N 374.484 5.638 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1sc2c(c1C#N)CCC2 3530011 ZMNUVZYXHGBFHZ-SSDVNMTOSA-N 366.877 5.007 30 40 FKEB CCCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OCC 6323417 DQLBOLIJBWWRHP-XSFVSMFZSA-N 354.471 5.594 30 40 FKEB O=C(/C=C/Oc1ccc2ccccc2c1)c1ccc(Br)cc1 16545855 LHESRRCSJQOCND-VAWYXSNFSA-N 353.215 5.378 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2Br)cc1 44843140 WHNWLFQGKFHTNX-OUKQBFOZSA-N 374.278 5.437 30 40 FKEB Cc1ccc(C(=O)/C=C/C2=C[C@@H]([C@H]3CCCCCN3)c3ccccc32)cc1 98211563 AESHSURTBODTEF-NVECHQRWSA-N 357.497 5.447 30 40 FKEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccc(Cl)cc1 225881327 QEAWGPDXKWRSOT-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB COc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 409215737 DVBMIRJVQXHWTQ-UCQKPKSFSA-N 351.833 5.678 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc([N+](=O)[O-])c2)cc1OC 409388996 YPSJSRXSXXFXPV-OEKFUPINSA-N 362.813 5.185 30 40 FKEB CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 2091653 FGLVCDVZIUNODC-ZVHZXABRSA-N 360.482 5.801 30 40 FKEB Clc1ccc(/N=C2/S/C(=N\C3CCCCC3)C3=C2CCCC3)cc1 2180813 WWYWMPODXQMGND-XOODDYIFSA-N 358.938 6.719 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCCCC2 2752762 PJGKYGBZNNNBRG-MDZDMXLPSA-N 356.878 5.194 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCc1ccccc1 4719759 PGFHKCAMENPFLK-UHFFFAOYSA-N 362.432 5.866 30 40 FKEB CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 6941711 VITWARRUPLOLQH-RGVLZGJSSA-N 366.686 5.950 30 40 FKEB CC(C)(C)c1ccc(/C=N/c2ccc(-c3cn4ccsc4n3)cc2)cc1 7738643 XFJAKLZEYXKHOD-OEAKJJBVSA-N 359.498 6.111 30 40 FKEB O=C1c2ccccc2-c2cc(Br)c(/N=C/c3ccccc3)cc21 18097156 JENQTJINIMTWFE-WSDLNYQXSA-N 362.226 5.411 30 40 FKEB Cc1ccc(/C=C2/CCC[C@H]([C@H](NO)c3ccc(C)cc3)/C2=N\O)cc1 104283707 HWQOPKDWYTZYLY-AUXAAHPVSA-N 350.462 5.037 30 40 FKEB C#CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409118699 TXGWBDDTVOTMHP-UHFFFAOYSA-N 373.452 5.502 30 40 FKEB CCCCCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 3239382 XHRXDIHZEQCYCO-ZDUSSCGKSA-N 364.580 5.606 30 40 FKEB CC(C)c1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1 3250392 TUAGSVRLSQYKSG-KEBDBYFISA-N 366.317 5.437 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3c(C)cc(C)cc3C)n2)cc1 4175558 CZKLEDRRDYWAEP-HKOYGPOVSA-N 360.486 5.384 30 40 FKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(Br)cc1 4548469 XCQMWLDDHYTKGD-CMDGGOBGSA-N 356.046 5.652 30 40 FKEB C/C(=N\NC(=S)Nc1ccccc1Cl)c1cccc2ccccc12 5416582 IKBZSMPECDIFDS-LPYMAVHISA-N 353.878 5.204 30 40 FKEB Cc1cc(C)c2c(/N=C/c3ccc(Br)cc3)c(C#N)sc2n1 6659360 BHKGTFHOBVFBIY-AWQFTUOYSA-N 370.275 5.298 30 40 FKEB Clc1ccc(Cl)c(OC/C(=N\c2ccccc2)Nc2ccccc2)c1 12546685 CPPLSRPEVQGIFN-UHFFFAOYSA-N 371.267 6.215 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)cc1 33742551 JGOJKNNVYDRHLR-ZMOGYAJESA-N 354.400 5.522 30 40 FKEB N#CCCSc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 78668728 NLEIGVWFUFUCPP-UHFFFAOYSA-N 372.493 5.541 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(CCCC)CCOCC1 104171463 KOPJMVLFNSJVNJ-UHFFFAOYSA-N 368.670 7.115 30 40 FKEB N#Cc1cc(N)c(Oc2ccccc2)n1Cc1ccc(Cl)cc1Cl 225878916 IXSCNYYZBXZDOR-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB Clc1cccc(Cl)c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 2053664 YXKAIZPUOPOGBB-FSJBWODESA-N 367.235 6.552 30 40 FKEB Cc1ccc(N/N=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 6476659 SAFPMUMWWRJNKR-DAFNUICNSA-N 354.409 5.028 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 8570846 PTBZGBQDNYOAIN-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1 12524936 VJBATVBQGPKNGV-BHGWPJFGSA-N 363.770 5.743 30 40 FKEB O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccc(F)cc3)ccc21 16712910 ZVUZRSMSQSVEOL-HEYHWPDRSA-N 372.395 5.577 30 40 FKEB Cc1cc(C)c(C)c(SCC(=O)Nc2ccccc2SCC#N)c1C 21281974 NCTVGUDASVKICG-UHFFFAOYSA-N 370.543 5.267 30 40 FKEB Cc1ccc(-c2cnc(SCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 44087762 PJDFMKKHJAGJAI-UHFFFAOYSA-N 373.403 5.482 30 40 FKEB CCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O 100955089 ZBCZZOAFEMHDDW-UHFFFAOYSA-N 361.507 5.161 30 40 FKEB CCCCCCCOc1ccccc1/C=N\Nc1nc2ccccc2s1 101616348 HBRKNQPFZVNCNL-JWGURIENSA-N 367.518 6.092 30 40 FKEB CCCCCCCCCCOc1ccc(C=Nc2ccc(C)cc2)cc1 256078798 JVFSSZJROUJXJD-UHFFFAOYSA-N 351.534 7.265 30 40 FKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccccn1 409221034 JQRTZBNASFBDMP-CIAFOILYSA-N 354.251 5.002 30 40 FKEB Cc1ccc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 2273657 KBOCRIXRFMLMKO-IBGZPJMESA-N 359.469 5.159 30 40 FKEB C[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3Cl)c(C#N)c2C1 4072603 KAGUATRVDURTMP-VIFPVBQESA-N 365.285 5.304 30 40 FKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(F)cccc1Cl 5211746 PTQXMIPISJQQOF-YBTHPKLGSA-N 356.828 5.311 30 40 FKEB Cc1cc(N/N=C2\C(O)=Nc3c(Cl)cc(Cl)cc32)nc2ccccc12 6962377 HJNRSDFHWUUHKG-UHFFFAOYSA-N 371.227 5.268 30 40 FKEB N#Cc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 7596254 AGLFLAXVWRLSAK-UHFFFAOYSA-N 369.449 5.011 30 40 FKEB C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1-c1ccncc1 7719501 OYGKBSGPYNXEDX-ZDUSSCGKSA-N 356.882 5.033 30 40 FKEB O=c1oc2ccccc2c(NC2CCCC2)c1/N=C(\O)Cc1cccs1 20533773 WLXDYXQZGRINHQ-UHFFFAOYSA-N 368.458 5.040 30 40 FKEB O=C1/C(=C\c2cc(Cl)cc(Br)c2O)Sc2ccccc21 33339318 OMDDLFFHANHLIZ-AWNIVKPZSA-N 367.651 5.138 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 59500237 ONKXJBCIBZOSAZ-XQNSMLJCSA-N 368.396 5.198 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(N(CC)CC)cc2)c1C 139486520 MPWAFRNCXVBTBY-NLRVBDNBSA-N 373.544 6.253 30 40 FKEB CC[C@@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 408601153 IVEJDVFLMYIIJS-CIKLGQITSA-N 365.502 5.245 30 40 FKEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1 718254 ZXAHFLZBCMVCHD-JOCHJYFZSA-N 371.505 6.126 30 40 FKEB N#CC1(Nc2ccc(-c3ccc(NC4(C#N)CCCC4)cc3)cc2)CCCC1 1686516 DBCCRWIMQOCVFV-UHFFFAOYSA-N 370.500 5.850 30 40 FKEB in-vitro CCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2737303 DWVPZHZGAJRJNL-UHFFFAOYSA-N 360.501 5.992 30 40 FKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C3=C(CCCC3)N4C2=C1 4026648 LNXRKALIIDIDBW-AMDXRBSFSA-N 370.496 5.278 30 40 FKEB biogenic Clc1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1 4696692 BQEWZJWTYNUVND-KOEQRZSOSA-N 372.855 6.772 30 40 FKEB CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(F)cc1 5188572 XQSDHWVDSCIDNP-CMJOXMDJSA-N 364.464 5.684 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 8085001 QTJICGPLOMYIGI-OVVQPSECSA-N 365.476 6.732 30 40 FKEB COc1ccc(C(=O)/C=C\C2=C(N3CCCCCC3)Cc3ccccc32)cc1 33374209 DNUQFALCPWWMFV-PFONDFGASA-N 373.496 5.278 30 40 FKEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 44087336 MTDKEQUSLHHKMW-UHFFFAOYSA-N 371.849 5.379 30 40 FKEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 59678368 LYRVVPNTOJCQEH-WSDLNYQXSA-N 373.239 5.321 30 40 FKEB CCCCCCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 100552239 OVKULRYTZGCMQP-UHFFFAOYSA-N 361.555 5.206 30 40 FKEB Clc1ccccc1-c1nn(-c2ccccc2)cc1/C=N/Cc1ccccc1 102849329 AWXKVCQOZQCBNC-PCLIKHOPSA-N 371.871 5.812 30 40 FKEB CCCCCCCC/C=C\CCCCCCCCCc1cc(O)cc(O)c1 107434836 KQGVEZGOGSMUMX-KTKRTIGZSA-N 374.609 8.068 30 40 FKEB biogenic,in-vitro CCN1c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[C@@H](C)CC1(C)C 113789577 LKLGXXVZJSGBIO-HNNXBMFYSA-N 359.469 5.261 30 40 FKEB C=CCOc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 222688350 HXWPIUMWTCDMJG-UHFFFAOYSA-N 361.894 5.416 30 40 FKEB Oc1c(C=Nc2ccc(N=Nc3ccccc3)cc2)ccc2ccccc12 260840588 IFTWYXOICQEYGR-UHFFFAOYSA-N 351.409 6.711 30 40 FKEB C=CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409116230 NACZYPXFIOYHCC-UHFFFAOYSA-N 365.860 6.309 30 40 FKEB CCc1nc(SCc2cccc(F)c2)c(C#N)c(C(F)(F)F)c1C 663876 MDGLLOQQMZHIFT-UHFFFAOYSA-N 354.372 5.274 30 40 FKEB COc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O 3060145 DZSKQNNDFKSKJW-LPYMAVHISA-N 360.438 5.428 30 40 FKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 8116495 XCSDMPIWXRWWEZ-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB O=C(C(/C=C(\O)c1ccccc1)=N/c1ccc(Cl)cc1)c1ccccc1 18042302 RGDKTNXOTPIQEH-HIISCUNHSA-N 361.828 5.895 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cccc([N+](=O)[O-])c1 28295606 NGWWHSQPOWINBO-UHFFFAOYSA-O 372.857 5.194 30 40 FKEB CCCCCCCCCCCCNC(=S)Nc1cc(F)ccc1F 59608809 KYHFVRQPJCMHPD-UHFFFAOYSA-N 356.526 6.172 30 40 FKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(F)c3)c(C)c2s1 72228612 HWUHPISZINHDPW-UHFFFAOYSA-N 370.453 5.112 30 40 FKEB CCCCCCCCCCCCOC(=O)Nc1cccc2ccccc12 100311193 XUFKQIANCJXQSI-UHFFFAOYSA-N 355.522 7.309 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718300 QVXDMSZMJCLKKL-LFVJCYFKSA-N 368.440 5.220 30 40 FKEB CCC(=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 538608 JGZZOTUMEGZYFB-PFFQYFBYSA-N 358.522 5.086 30 40 FKEB O=C1CCCC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c12 976580 LAUNDXXEUVCXFE-QHCPKHFHSA-N 370.408 5.421 30 40 FKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 1565966 FGNUVRAWNVULJY-MDWZMJQESA-N 366.457 5.467 30 40 FKEB CCCCCCCCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1O 1683573 OZDDKSQRJSWQSV-UHFFFAOYSA-N 360.881 6.230 30 40 FKEB CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 5607402 WZYNQGBIPAIJMA-HNNXBMFYSA-N 360.486 5.219 30 40 FKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(C)(C)C)cc1 6317202 VIZMROXESUDKAR-WYMPLXKRSA-N 368.830 6.492 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCC 6959586 BYAAFTZHNHPQFT-UDWIEESQSA-N 362.267 5.306 30 40 FKEB Cc1cc(C)cc(C#C/C=C/c2ccc3ccc4cc(C)cc(C)c4c3c2)c1 8384039 WWRZRZFDSXYDEW-FNORWQNLSA-N 360.500 7.292 30 40 FKEB CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 32125509 ARJRYVAUHZJPBK-YBEGLDIGSA-N 361.260 5.177 30 40 FKEB CCCCCCCCn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21 50860180 DBGZATUOXSMUSQ-NLRVBDNBSA-N 372.516 6.629 30 40 FKEB CCCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1 97960139 DIMFSOKQHMAJOF-FXBPSFAMSA-N 363.457 5.380 30 40 FKEB CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccc3ncccc3c2)O1 100098969 DZLWXAMRMLIEHI-NYTFHCBWSA-N 356.425 5.645 30 40 FKEB Oc1c(/C=N\c2ccc(Cl)c(Br)c2)ccc2ccccc12 100248621 GYOMIQWMDLGDRK-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB CCCCCCCCCCCCCCCCCC[C@@H](NC(C)=O)C(=O)O 100307782 GYGGRXQCNOXQNG-OAQYLSRUSA-N 369.590 6.227 30 40 FKEB Oc1ccc2ccccc2c1C=Nc1ccc(Cl)c(Br)c1 260840675 ZCABAIVVKCTNNM-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408542824 OANCSXZBGCWUAT-FSJBWODESA-N 358.397 5.040 30 40 FKEB CCCCNC(=S)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 7641795 VBYGZBLHYUCTMZ-QGZVFWFLSA-N 357.910 5.082 30 40 FKEB Cc1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)ccc1Cl 13602179 MBQCPKZENIXIEZ-YBFXNURJSA-N 352.842 6.238 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 17124108 SFBDKOZKTGOCMV-SDNWHVSQSA-N 359.381 5.070 30 40 FKEB Fc1ccc(F)c(/C=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1 66088703 VOFMBXJGUVGSMI-GEVRCRHISA-N 369.120 5.736 30 40 FKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccccc1)C(=O)c1ccccc1-2 100752530 MIIQTLUUEMJQRB-AQTBWJFISA-N 373.408 5.081 30 40 FKEB Clc1ccc(/N=C/c2c3ccccc3cc3ccccc23)c2ncccc12 103754663 HRTWLNMABGMQNJ-JFLMPSFJSA-N 366.851 6.945 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225661138 WNCDCEBLLJMKAC-QGZVFWFLSA-N 368.546 5.294 30 40 FKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685060 YSVNSJBOTWIIKU-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408738385 WHDUJCOQVDQDBL-ZVHZXABRSA-N 364.420 5.161 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1CC 408910401 ICZODDDNRXQJRX-PVTBXJRFSA-N 370.905 5.526 30 40 FKEB Cc1cccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1C 409208414 FVGYTWGXKQPNCU-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB N#CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(Cl)cc1Cl 1396837 HWNKRTQUMYHPQI-KRWDZBQOSA-N 360.244 5.038 30 40 FKEB C/N=C1\C=Cc2c(-c3ccccc3)cc(-c3ccccc3)c3ccc(NC)c1c23 4575213 YYTWTKZSSMJMHV-XLVZBRSZSA-N 374.487 6.661 30 40 FKEB O=C(/C=C/c1ccccc1Cl)c1ccc(NC(=O)c2ccco2)cc1 4852239 GAUSOGLIDHUUOM-FMIVXFBMSA-N 351.789 5.081 30 40 FKEB Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1Cl 10118819 SXTBTXLUZLPEMH-FSJBWODESA-N 359.256 5.686 30 40 FKEB Cc1ccsc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)(C)C)c1 17213668 SQQWWYVPSWFCLQ-GRSHGNNSSA-N 366.939 5.647 30 40 FKEB CCCCCCCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N 44459932 JENYVAVDUWCGJX-UHFFFAOYSA-N 369.490 5.068 30 40 FKEB O=C(/C=C/Nc1cccc(Cl)c1F)c1ccc(Br)cc1 51318599 NIRSFORUYXFPEK-CMDGGOBGSA-N 354.606 5.050 30 40 FKEB CCCCCCCCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 102060562 UAFQGBWEOBRHAU-UHFFFAOYSA-N 362.514 6.625 30 40 FKEB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225765844 VRLHRUSVEJSOSL-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C#N)C1 995724 BDVLMUCQMISCPS-XOVSCCBYSA-N 370.543 5.484 30 40 FKEB Cc1ccc(N2C(=O)C[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc1 1076689 PBBOIVNKMSWCQA-INIZCTEOSA-N 365.498 5.220 30 40 FKEB N#CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(Cl)cc1Cl 1396838 HWNKRTQUMYHPQI-QGZVFWFLSA-N 360.244 5.038 30 40 FKEB CCOc1ccccc1/N=C/c1ccc(OC)c(OCc2ccccc2)c1 3228588 WPEHCUWYVFRWEM-LFVJCYFKSA-N 361.441 5.424 30 40 FKEB CCCCCCCCCCCCNC(=O)c1cc2ccccc2oc1=O 97941884 ULHYOSCZOODLTF-UHFFFAOYSA-N 357.494 5.444 30 40 FKEB CCCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 102568284 UAQIWNIUMNYLGK-UHFFFAOYSA-N 359.485 5.473 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 225848379 DHOJJKRMFMGIRC-NRFANRHFSA-N 360.498 5.051 30 40 FKEB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O 253498589 BXEKJWVUCNPPSL-OOBWBMLZSA-N 362.557 6.682 30 40 FKEB biogenic Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1Cl 408845075 FBCARKGFLCIHQW-MTJSOVHGSA-N 373.681 5.952 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 408908006 DABVHCGFPIINQJ-PVTBXJRFSA-N 354.450 5.148 30 40 FKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1cccc2ccccc12 409179236 QEYCPTNQSIUBGQ-ISLYRVAYSA-N 364.448 6.392 30 40 FKEB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C#N)C1 997350 VAFYBMBZYSRZGA-FROQITRMSA-N 370.905 5.440 30 40 FKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2cccc(Cl)c2)cc1 5609603 UHCLEXNKNXQFPH-LFVJCYFKSA-N 363.892 5.813 30 40 FKEB Cc1ccc2sc(-c3ccc(/N=C4\C(=O)Nc5ccccc54)cc3)nc2c1 12462626 AHYVAGGSQBVQCG-UHFFFAOYSA-N 369.449 5.345 30 40 FKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl 33405621 BENNASCMHHJLCO-MTJSOVHGSA-N 368.824 5.102 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)OCCOCCO 86030953 PWVUXRBUUYZMKM-UHFFFAOYSA-N 372.590 5.800 30 40 FKEB O/N=C1/CCCCCCCCCC[C@@H]1N1CCC(c2ccccc2)CC1 100950512 MAFPEDHENQJTET-FEYWKWKCSA-N 356.554 5.979 30 40 FKEB Ic1ccccc1/C=N/c1cccc2ccccc12 408549864 ALLPMRSNXVNTSM-XDHOZWIPSA-N 357.194 5.195 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)cc1C 408742619 WWYJSIVIVYQQFJ-MSXFZWOLSA-N 371.311 6.768 30 40 FKEB Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409103670 DXGJCYKGBVTBHD-LPYMAVHISA-N 366.804 6.100 30 40 FKEB O=[N+]([O-])c1ccc(Sc2ccccc2)c(/C=N\c2cccc(Cl)c2)c1 409118790 USGALZIRWWEICV-BKUYFWCQSA-N 368.845 6.150 30 40 FKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)OCC)c2c1 1321274 QXPNYAUPHFIFBZ-UHFFFAOYSA-N 366.413 5.240 30 40 FKEB biogenic O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1 2837471 NCUMXWVLFJUMEX-BUVRLJJBSA-N 368.392 5.871 30 40 FKEB Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 20736259 WYOPRJGCNBLOIK-BEFAXECRSA-N 362.454 5.003 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@@H]2C1 38841679 YFMSIVMSEGIVCP-CYYHDTDOSA-N 358.522 5.086 30 40 FKEB CCCCCCCCCCCCCC(=O)Nc1nc2ccc(C)cc2s1 59531208 LVLNBGOYUFLLKW-UHFFFAOYSA-N 374.594 7.244 30 40 FKEB CCc1cc2c(cc1C(=O)C[n+]1cc(C)ccc1C)C(C)(C)CCC2(C)C 72334043 CIOBSKMUCOKAAI-UHFFFAOYSA-N 364.553 5.385 30 40 FKEB O=C(/C=C/c1ccco1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 107878640 UKLLIXHSDAHKIS-BAAMXKIJSA-N 367.448 6.002 30 40 FKEB CCCCCCCCCCNS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861981 ABLVYLNRKRJZEB-UHFFFAOYSA-N 373.562 5.357 30 40 FKEB Cc1ccc(COc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)cc1 409200817 JTZRAHKYQJDIIB-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1F 409216793 ONFLVVPBTBNLSS-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N/c1cc(Cl)ccc1OC 409244694 HIMIUCFAXSIIRZ-HYARGMPZSA-N 358.869 5.098 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccccc1[N+](=O)[O-] 677612 OMHJXCWXMPLCMC-HSZRJFAPSA-N 370.408 5.421 30 40 FKEB CSc1ccc(/C=N/c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 2638385 CXYAXHCRYOBSBR-PXLXIMEGSA-N 362.502 5.144 30 40 FKEB CCN1c2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2C(C)=CC1(C)C 4733024 RRKPJTOBPIJDGC-WGOQTCKBSA-N 362.561 6.096 30 40 FKEB Cc1nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2s1 7278945 DEVQOGYBIUSJBQ-UHFFFAOYSA-N 369.449 5.396 30 40 FKEB COc1ccc(-c2nnc(SCCCC#N)n2[C@@H]2CCCC[C@H]2C)cc1 12790561 REZYCMTVFQPXNU-CRAIPNDOSA-N 370.522 5.101 30 40 FKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc([N+](=O)[O-])cc1 26893563 YXSBWTXLGJBMTE-LPYMAVHISA-N 364.788 5.230 30 40 FKEB N#CCC(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 40433999 VMFACABRFGXPLE-RUZDIDTESA-N 368.480 5.303 30 40 FKEB CCCCCCCCCCCCCCCCCCNC(=O)OCCO 100309191 XTVFKAITUCVNMH-UHFFFAOYSA-N 357.579 5.966 30 40 FKEB CCCCCCCCCCCCNC(=S)N/N=C\c1cccc(O)c1 104380375 OOMLICLTGIVQRR-XLNRJJMWSA-N 363.571 5.111 30 40 FKEB CCCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C 1638330 COXGNRWHRXYPBW-UHFFFAOYSA-N 356.586 5.151 30 40 FKEB CCCC(CCC)=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6273099 JSPYHQKPTQTAPJ-UHFFFAOYSA-N 365.852 5.601 30 40 FKEB C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6295409 XBOLPRWUSKBOBF-LFVJCYFKSA-N 361.828 5.895 30 40 FKEB CC/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 6377971 ZDAOFQMMFPYKBC-HYARGMPZSA-N 361.194 6.238 30 40 FKEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(OCC)cc1 6962367 XELVOTUYZYONER-DEDYPNTBSA-N 360.251 5.163 30 40 FKEB CC(C)(C)C1=CC(=NSc2nc3ccccc3[nH]2)C=C(C(C)(C)C)C1=O 16779982 ZJPYSNREFPYZDI-UHFFFAOYSA-N 367.518 5.539 30 40 FKEB Oc1ccccc1/C=N/c1ccc2nc(SC3CCCC3)sc2c1 17125650 SXLSRNLUMQZPMQ-UDWIEESQSA-N 354.500 5.787 30 40 FKEB Cc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1 58324576 HSCXCXDBJWCZBB-FOCLMDBBSA-N 365.432 5.400 30 40 FKEB Brc1cc(/C=N/c2cccc3ccccc23)oc1N1CCCC1 59249612 OAGPOJKYZMBXMR-FYJGNVAPSA-N 369.262 5.546 30 40 FKEB COc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 828706 KFPUWWZTHYEXFL-XMMPIXPASA-N 355.437 5.522 30 40 FKEB O=C(c1ccccc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 1097885 WUEKRVVRFKRWAE-FSJBWODESA-N 370.235 5.681 30 40 FKEB CCO[P@@](=O)(C#CC(C)(C)C)[C@H](Nc1ccccc1)c1ccccc1 2194179 QKBFVPZBQBAFCQ-CPJSRVTESA-N 355.418 6.119 30 40 FKEB Cc1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3C)cccc12 2848811 AZJOTXMZGXYOCB-XUIWWLCJSA-N 362.476 6.958 30 40 FKEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3881980 XYGMEFJSKQEBTO-KUJXMBTLSA-N 364.913 5.017 30 40 FKEB biogenic,in-man CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(C)cc1 6961242 ASNGKRDZSVHSBO-WGOQTCKBSA-N 373.496 6.340 30 40 FKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 17063472 MFAJMFUIWIMWLG-AUWJEWJLSA-N 370.876 6.112 30 40 FKEB COc1ccccc1/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C 223500627 BSEDDHIKUORHBI-MFKUBSTISA-N 362.517 6.165 30 40 FKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225932463 TZVQVBWDUONVBG-UHFFFAOYSA-N 370.880 5.140 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4cccs4)cc3)[C@@H]2C1 408936905 LHYUYWDPUVPCNO-FZYXMWPSSA-N 356.494 6.325 30 40 FKEB COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O 711426 ZEUVOCAODZKNTL-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB N#Cc1c(SCc2ccc(F)cc2)nc2c(c1-c1cccs1)CCC2 756929 GKOZLSUVMZUXML-UHFFFAOYSA-N 366.486 5.602 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(CC)cc3)c2C)cc1 843453 BWRSSKWDEAXCAE-PCLIKHOPSA-N 374.484 5.584 30 40 FKEB CCCCCCCCCCCCOc1c(Cl)cc(Cl)cc1Cl 1732353 WDCCFVMECZLGEP-UHFFFAOYSA-N 365.772 7.947 30 40 FKEB N#Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 3209599 KDZJNJVCTKFUNI-UHFFFAOYSA-N 364.392 5.160 30 40 FKEB C=CCSc1nc(Oc2ccccc2)c2sc3ccccc3c2n1 4092648 LNZWFNIMQHWJGA-UHFFFAOYSA-N 350.468 5.915 30 40 FKEB COc1ccc(OC)c(/C=C/C(=O)c2ccccc2OCc2ccccc2)c1 5210479 CKXXTJICVZJTJO-WYMLVPIESA-N 374.436 5.179 30 40 FKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F 5649230 HVHROOIVCVTTKV-KAMYIIQDSA-N 350.364 5.440 30 40 FKEB C[C@H]1C/C(=N\NC(=S)Nc2ccc(SC(F)F)cc2)CC(C)(C)C1 5691423 BIQGAROVISTMFF-AMRSXLBCSA-N 371.522 5.490 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 8570850 GHKOMPJJNKGMHR-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc1 12374183 GVTRREJYAFHYDD-QRVIBDJDSA-N 372.420 5.199 30 40 FKEB biogenic Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)c1 15013602 KZTQCNQTTVQPHO-XDHOZWIPSA-N 350.487 5.318 30 40 FKEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 44085525 IHTSDOUGDHKIIW-UHFFFAOYSA-N 351.431 5.034 30 40 FKEB CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 68568972 XWZGDVXCRYTAFL-OCEACIFDSA-N 366.549 8.184 30 40 FKEB CCCCCCCCCCCCCCCCNCc1cccc(Cl)c1 100023415 AGFCXNFJWLGIQK-UHFFFAOYSA-N 366.033 7.911 30 40 FKEB CCc1c(C)sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1C#N 995630 CVVLLPACZXMHMF-UHFFFAOYSA-N 374.918 5.919 30 40 FKEB N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 1023042 KHWNAJMRMRZOLM-DNTJNYDQSA-N 351.258 5.262 30 40 FKEB CCO[P@@](=O)(C#CC(C)(C)C)[C@@H](Nc1ccccc1)c1ccccc1 2194183 QKBFVPZBQBAFCQ-NLFFAJNJSA-N 355.418 6.119 30 40 FKEB CCCCCCCCCCCCN1C(=O)OC2(CCCCC2)[C@@]1(C)O 3666252 ORFRLALSMQRVCU-HXUWFJFHSA-N 353.547 5.771 30 40 FKEB COc1ccc2cc(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2c1 5210988 PHMDSAVAVNFTBU-NYYWCZLTSA-N 356.343 5.763 30 40 FKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 97939855 PSXREHVUYXXTHR-SFHVURJKSA-N 367.489 5.363 30 40 FKEB Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c(F)c1 409022203 JBGYKVBSVOGORL-UFFVCSGVSA-N 365.857 6.582 30 40 FKEB Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1C 409075617 ZEMGEOXHFSJVNH-OEAKJJBVSA-N 351.902 6.859 30 40 FKEB COc1ccc(Oc2ccc(N/C(C)=C/C(=O)c3ccccc3)cc2)cc1 409092406 XKZOKAYJXZDSSE-WUKNDPDISA-N 359.425 5.686 30 40 FKEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(Cl)c(Cl)c1Cl 4926378 RTTTYSAWUPDECB-UFWORHAWSA-N 357.624 5.181 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/C=C/c1ccco1 5376752 IVQNFYONIXWLCZ-GSPDUGTFSA-N 365.241 5.034 30 40 FKEB O=C(/C=C/c1ccccc1)c1ccc(-c2cccc(-c3ccccc3)c2)cc1 17302086 CQHBOHCMFCABTE-XMHGGMMESA-N 360.456 6.917 30 40 FKEB CC1(C)CCC[C@@](C)(C#CCN(Cc2ccccc2)Cc2ccccc2)O1 19933956 QTHDZEBWIXNPRP-VWLOTQADSA-N 361.529 5.430 30 40 FKEB O=C1/C(=C/c2cccnc2)OCc2nc3ccccc3c(-c3ccccc3)c21 96319358 CYPMJVSWICGGRV-BKUYFWCQSA-N 364.404 5.051 30 40 FKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)NCCCCCC)cc1 98001531 ZYMZFCZWPYUCGK-UHFFFAOYSA-N 374.569 6.076 30 40 FKEB biogenic CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(C(=O)O)c2)c1C 145284198 WORGJEXNVZXLGU-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB C=CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 216895157 HMUIBEFGNVBNAY-RMKNXTFCSA-N 363.240 5.315 30 40 FKEB C=CCc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC 408743002 REKKMYPYSIGZNP-SFQUDFHCSA-N 352.817 5.058 30 40 FKEB C=CCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409095770 IUNZALUSMMZRFU-FOWTUZBSSA-N 373.518 5.210 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Cl)cc1 409103040 AAVOTEVZWCFAKY-MDZDMXLPSA-N 364.670 5.473 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cs3)c2C#N)C1 712692 SMPIETSCWJTFFZ-GXBAXFRPSA-N 373.503 5.491 30 40 FKEB Cc1ccc(C(c2ccc(/N=C/c3ccccc3O)cc2)c2ccc(C)o2)o1 4280949 KPMSHHGVHQHFID-MFKUBSTISA-N 371.436 6.126 30 40 FKEB Cc1ccc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)cc1C 4660100 YBGRPAMRCWEXEW-MFOYZWKCSA-N 356.878 5.157 30 40 FKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C)c1 4740367 YZLXQBSJZDWDMR-HNZYNWIWSA-N 362.473 5.147 30 40 FKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 12406370 FUDZQFXSCLVUNY-IHCIQGKHSA-N 350.437 5.141 30 40 FKEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 13629406 MRAGRLPPOPPLBM-MTJSOVHGSA-N 374.392 5.238 30 40 FKEB CCN(CC)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1 16921117 RMEOHNRKUVNLAN-UQQQWYQISA-N 353.469 5.385 30 40 FKEB Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N\OC2CCCC2)c1 17217031 BQUDVOCALIHNLE-JAIQZWGSSA-N 362.882 5.322 30 40 FKEB CN(C)[N+]1=C(c2ccc(-c3ccccc3)cc2)CS/C1=N\c1ccccc1 18192557 PZJVPJRYHGLGNJ-VHXPQNKSSA-N 372.517 5.066 30 40 FKEB COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1OC 33376655 MISYPOXVTAJJML-OWBHPGMISA-N 374.436 5.179 30 40 FKEB CCCCCCCc1ccc(/C=C/c2ccc(OCCCC)cc2)nc1 97958795 AFEKNPUBGMQXID-RVDMUPIBSA-N 351.534 6.944 30 40 FKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OC[C@@H]1CO1 100299982 MPHZZARYNGUYDH-SLFFLAALSA-N 354.531 5.177 30 40 FKEB CCCCCCCCCCCCCC(=O)O[C@H](C)CC[C@H]1CCCO1 104260060 GLZRHJFPZLBSSW-NHCUHLMSSA-N 354.575 6.578 30 40 FKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(-c2ccccc2)cc1 12524958 PKLQOQMMQWZYAW-WGOQTCKBSA-N 371.871 6.391 30 40 FKEB COc1ccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)cc1 32709500 IZDFZTHNHRZQFF-AQTBWJFISA-N 359.381 5.161 30 40 FKEB CCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 50861272 LCJUPPADBUVXFJ-UHFFFAOYSA-N 350.506 6.366 30 40 FKEB CCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1 85773073 BKUAQOCVPRDREL-UHFFFAOYSA-N 358.566 7.310 30 40 FKEB endogenous,in-man Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253369329 AZOKMFUETPLROZ-FKWRKTRQSA-N 366.549 5.415 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)c(C)c1 408723826 RXMFSJDVPLKPKG-XDHOZWIPSA-N 350.487 5.318 30 40 FKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(F)cc1 408772479 LWSMEAJHFNBINE-WPWMEQJKSA-N 374.503 7.032 30 40 FKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408883864 RNNSICQKZPMQIN-ZDLGFXPLSA-N 370.905 5.663 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 5901836 HYHZIGYHPOMTIY-CYBMUJFWSA-N 372.921 5.676 30 40 FKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(Cl)c1 6961423 KUVFOWRQMKBPJN-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB Cc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccccc2)cc1 59463807 SHHUVQTVTDRZSH-MFKUBSTISA-N 372.468 6.675 30 40 FKEB CCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052372 HXMBKUTXMKATOZ-SJLGWRBESA-N 363.505 7.037 30 40 FKEB CCCCCCCCCCCCCCCCCC1=N[C@](C)(CO)CO1 100061067 RSDFPCQESXIWFY-JOCHJYFZSA-N 353.591 6.428 30 40 FKEB N#Cc1c(/N=C/c2cccs2)sc(-c2ccccc2)c1-c1ccccc1 101206732 QELVXJVSYDVOKV-BUVRLJJBSA-N 370.502 6.766 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)c(C)c1 408592553 MNHVLYRNIANVKW-AFUMVMLFSA-N 357.457 5.133 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C(C)C)cc1 408909916 HUTJXNJRVKZBTG-JUFQOAMISA-N 362.498 5.564 30 40 FKEB Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)c(Cl)c1 409199372 CHKCKTXZUQIRAB-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3ccccc3C)o2)c(Br)c1 409241537 OFCWRGUJOXYQOV-MTJSOVHGSA-N 354.247 6.077 30 40 FKEB N#Cc1cc(-c2ccccc2)nnc1Sc1cccc(C(F)(F)F)c1 1387399 HIQCUIQIOKMFSW-UHFFFAOYSA-N 357.360 5.185 30 40 FKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4175331 JLYOCXZWBIGPOB-XQNSMLJCSA-N 352.850 5.112 30 40 FKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1O 4322717 SZHSJAIELQVDHF-UFFVCSGVSA-N 366.760 5.604 30 40 FKEB Clc1ccc(-c2cc([C@H]3CO3)c3cc(Cl)cc(Cl)c3n2)cc1 4824105 BBQFQYGDKSIZFJ-MRXNPFEDSA-N 350.632 5.933 30 40 FKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 4864191 OJSZBYVUABWAJS-LFVJCYFKSA-N 369.472 5.035 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C#N)C1 5383750 CHKUZICPTSPNEB-XOVSCCBYSA-N 354.475 5.016 30 40 FKEB CCCCN(CCCC)C(=Nc1ccccc1)N(CCCC)CCCC 5783511 FQOADOJVSACSAJ-UHFFFAOYSA-N 359.602 6.479 30 40 FKEB Cc1cc(O/C=C/C(=O)c2ccc(Br)cc2)cc(C)c1Cl 16269373 QVIWJQRTDGYLLU-BQYQJAHWSA-N 365.654 5.495 30 40 FKEB CCC(=O)c1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc1 16610028 TTWYDJGHYMNLIF-UHFFFAOYSA-N 373.456 5.195 30 40 FKEB CCCCCCCCCCCCCCCCCCOC[C@@H](CO)OC 100036947 JWBOVDKFGDXGCR-JOCHJYFZSA-N 358.607 6.272 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 100188724 HAGMRXCAZOYQJI-YZSQISJMSA-N 373.544 6.308 30 40 FKEB CC1=C(c2ccccc2)[C@@]2(c3ccccc3)[C@H]3C=C[C@H]([C@H]4CC[C@@H]43)[C@]2(C)C1=O 102491183 WZOOUDLTRAKAHN-QRRZYIILSA-N 366.504 5.829 30 40 FKEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408966184 KIPNOCFGIUQUGY-ONUIUJJFSA-N 374.528 6.019 30 40 FKEB C#CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409121599 YVBZVRZFZZKTDU-UHFFFAOYSA-N 359.425 5.112 30 40 FKEB COc1cccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409245036 MKQRXMDJILSPEN-MYYYXRDXSA-N 358.416 5.588 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772491792 PRWWYYCTGGYLJU-WUAZERAISA-N 372.549 5.476 30 40 FKEB CCCCCCCCC(=O)NN1c2ccccc2CCc2ccccc21 2066263 SOIIVRHVOKOAEZ-UHFFFAOYSA-N 350.506 5.705 30 40 FKEB biogenic Oc1ccc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 3096809 WDXLUBAOLWUENR-WSDLNYQXSA-N 364.857 6.073 30 40 FKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1 4924466 ZHHAQBXSQDCTSB-AWQFTUOYSA-N 353.636 6.229 30 40 FKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2ccccc2c1 5370568 QKJVHSYMCRNVTN-FSJBWODESA-N 373.334 5.603 30 40 FKEB CCN(CC)c1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 5568254 BGTKXDREKZYEFT-FSJBWODESA-N 369.818 5.651 30 40 FKEB Oc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 13713976 LKSQFVCCDKNGGO-UFWORHAWSA-N 364.257 5.269 30 40 FKEB C(=C/Nc1ccc(-c2ccccc2)cc1)\C=N\c1ccc(-c2ccccc2)cc1 18252301 NMTVOLGEUFUEOW-GGUAGVTFSA-N 374.487 7.349 30 40 FKEB in-vivo CC1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 25361297 NHEIZJXYXNGDKG-UHFFFAOYSA-N 350.487 5.018 30 40 FKEB CCCCCCCCS(=O)(=O)CCSc1cccc2cccnc12 59211795 OKWYJHRZDONQAY-UHFFFAOYSA-N 365.564 5.102 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408757398 ZLJRQIDATQDJHU-YDZHTSKRSA-N 350.849 5.701 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)ccc1O 408963356 NLJNNHXFANXUJE-LPYMAVHISA-N 358.353 5.464 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(Cl)s2)S/C1=N/c1ccc(F)cc1 409236205 DWPZUOBVAYNSEB-ADWDSYRSSA-N 366.870 5.165 30 40 FKEB C=CCn1c(SCc2cc(C)ccc2C)nc2sc(C)c(C)c2c1=O 2264022 WLQMTNHGPKIRJB-UHFFFAOYSA-N 370.543 5.170 30 40 FKEB COc1ccc(-c2csc(N/N=C3/C[C@@]4(C)CC[C@@H]3C4(C)C)n2)cc1 4746649 OHQOTSWIQKHXGB-ZRCOJRMVSA-N 355.507 5.433 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(C)c3C)n2)c(C)c1 6472900 OZYSBVQJXQKBOO-PLRJNAJWSA-N 360.486 5.384 30 40 FKEB CCn1cc(/C=C2/Oc3cc(OCC=C(C)C)ccc3C2=O)c2ccccc21 8765522 OOXWFRLPVNUBKF-YDZHTSKRSA-N 373.452 5.622 30 40 FKEB biogenic CCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCC)cc1 98001389 AVQXJMQTSYBGDO-UHFFFAOYSA-N 361.526 6.113 30 40 FKEB biogenic CC[C@@H](C)n1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 408930888 DJSCXBAMASNNAL-WCIBBKAISA-N 361.489 5.200 30 40 FKEB CC(C)c1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409018934 XHZZVFBOZIUOHT-LPYMAVHISA-N 371.958 7.427 30 40 FKEB C=CCOc1ccc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1Cl 409117403 LRZBVGZBANJGSY-LGMDPLHJSA-N 353.849 5.202 30 40 FKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCCC 409120227 VCDOQNNHKATOOX-UHFFFAOYSA-N 353.506 5.832 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)cc1Cl 409242932 PVEGOVWNRBYUTN-XKZIYDEJSA-N 363.288 5.743 30 40 FKEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 3457675 BIEFFYMVSRRXBB-DTQAZKPQSA-N 366.382 6.120 30 40 FKEB Cc1sc(/N=C/c2cc(Br)cc(Cl)c2O)c(C#N)c1C 4150682 NQGXKROMJBJWRJ-NGYBGAFCSA-N 369.671 5.109 30 40 FKEB CC(=C/[C@@H]1C=CCCC1(C)C)/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5502648 YORFVAYQXZSQLJ-XECRVLJASA-N 372.425 5.230 30 40 FKEB CCOc1ccc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)cc1 5872874 XMNGWGHISHUSTR-NBVRZTHBSA-N 359.381 5.243 30 40 FKEB C=CCc1cc([C@@H](CC)[C@@H](CC)c2ccc(O)c(CC=C)c2)ccc1O 17146477 LEQXJAGLXSFBMP-SZPZYZBQSA-N 350.502 6.242 30 40 FKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1 33378710 PCTWPKLTQOSEEH-NXVVXOECSA-N 358.440 7.042 30 40 FKEB O=C(C1=C[C@@H]2Cc3ccccc3[C@@H]2C=C1)c1ccc(Br)cc1 36692407 YOUJEBXQCVILQB-QFBILLFUSA-N 351.243 5.084 30 40 FKEB O=C(/C=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1 55174968 ZSXGIPGLQKXMHE-ZHZULCJRSA-N 373.839 5.153 30 40 FKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249596 CBIRSPVWOKHWJT-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NCc1ccco1 100396718 YORALIKRBUINAP-UHFFFAOYSA-N 363.586 7.157 30 40 FKEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1nc(-c3ccccc3)ccc1C#N)C2=O 100928245 ASRKMGFOXOKHTE-ZWDAVXSWSA-N 362.498 5.106 30 40 FKEB CCCCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 102562027 BXKLNTHMYBONQB-UHFFFAOYSA-N 373.512 5.863 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)[C@](C#Cc1ccccc1)(OC(=O)c1ccccc1)C2 103450358 XDDNUZKIVVPKLM-FTBPSBKWSA-N 358.481 5.480 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225766041 UALMCGFULGIJPX-NRFANRHFSA-N 368.546 5.552 30 40 FKEB CC(C)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 408906748 DLXQONWCNIBRCH-NVZLDUMVSA-N 372.493 5.852 30 40 FKEB Fc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 408954944 NUAYKHJYEOMJLA-DNTJNYDQSA-N 366.248 5.702 30 40 FKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccn1 409236187 RVXQVWCZZVBNFL-YZSQISJMSA-N 351.453 5.907 30 40 FKEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 4263330 GRBGFFFWRSHOIE-CYVLTUHYSA-N 355.393 5.260 30 40 FKEB CC1(C)[C@@H]2CC[C@@]1(C)C/C2=N\Nc1nc(-c2ccc(Cl)cc2)cs1 4746645 AMIFBGRDFUWRFX-YZGWXEMESA-N 359.926 6.078 30 40 FKEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 8478739 ZBGZXVGGEOFAHU-UHFFFAOYSA-N 355.743 5.176 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(F)cc1F 9482251 AKEFCOYVXNFSRD-HXUWFJFHSA-N 354.400 5.187 30 40 FKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)N[C@@H](C)COC 104109834 SIDPVABXALOZOR-ACRUOGEOSA-N 369.590 5.386 30 40 FKEB CCOc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 408722233 FOMUZWUDWFKZOR-LPYMAVHISA-N 364.470 5.067 30 40 FKEB C(=N\Nc1nc2ccccc2s1)\c1ccc(Sc2ccccc2)o1 409076265 AEELCRJQRXKTGY-UNOMPAQXSA-N 351.456 5.487 30 40 FKEB CSc1cccc(/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)c1 4964341 OEPPTWPEQAFYTN-JJIBRWJFSA-N 371.509 5.774 30 40 FKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc(Br)c1O 6555323 CTTZFMCHMAZLPR-KKBVUKDESA-N 366.686 6.072 30 40 FKEB COc1cccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)c1 9486131 OZYQTZDKCWPRLD-AQTBWJFISA-N 359.381 5.161 30 40 FKEB CC1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 12603964 LJUUUIYYZQQBKY-BQWARBPISA-N 357.280 6.459 30 40 FKEB CCCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 16637186 YZAVUESMEIOVLT-KOEQRZSOSA-N 372.468 5.755 30 40 FKEB O=C1/C(=C\c2ccc(O)cc2)CCC/C1=C\c1ccc(Cl)c(Cl)c1 31871349 IMLOAMSUXFEQKT-MBKDJOQRSA-N 359.252 5.919 30 40 FKEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)ccc1O 59475449 VVUHSBRGBZUIGM-LSHDLFTRSA-N 357.759 5.604 30 40 FKEB O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 100017856 KUCQYCKVKVOKAY-OTVXOJSOSA-N 366.844 5.505 30 40 FKEB fda CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCO 100050103 WGTDLPBPQKAPMN-KTKRTIGZSA-N 350.591 5.730 30 40 FKEB Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116700 ITUOXCZNWCZWQP-BUVRLJJBSA-N 369.424 5.906 30 40 FKEB CCCCCCCCOc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1 101351311 QMYRASASRSRYQH-UHFFFAOYSA-N 368.452 6.282 30 40 FKEB CCCCCCCNCc1ccc(OCCc2ccccc2)c(OC)c1 102559516 VQFNKKGLAPAONB-UHFFFAOYSA-N 355.522 5.377 30 40 FKEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cc(C)ccc1C 408912834 RQIZJEXUTKLCBX-PSSMHDJQSA-N 362.498 5.484 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)c1 408968581 XOPWPIVYQNTIEP-ZVHZXABRSA-N 364.420 5.161 30 40 FKEB Cc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c(C)c1 409247321 MQTJROXXROEUIU-UUYOSTAYSA-N 368.274 6.385 30 40 FKEB CCCCO[C@@H](C)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083807948 HITJTBGPZTXHIG-MRVPVSSYSA-N 364.248 5.229 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(Br)cc(C(C)(C)C)c2O)c1 865484 HCTXWHUEPALABA-SRZZPIQSSA-N 374.278 5.405 30 40 FKEB N#Cc1c2c(c3c(c1NC(=O)c1ccc(Cl)cc1)CCCC3)CCCC2 1106050 KPNWZAODJXDWCB-UHFFFAOYSA-N 364.876 5.222 30 40 FKEB Cc1ccc(-c2cc(/N=C/C=C/c3ccccc3)n(-c3ccccc3)n2)cc1 3665032 GGIYLGUCAIFWJY-QJBYRTJNSA-N 363.464 6.263 30 40 FKEB C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc2ccccc12 4262916 XIJSSUNJLLHIAU-CCEZHUSRSA-N 370.477 5.821 30 40 FKEB CCCCCCCCCCCCCCCC[n+]1cccc2ccccc21 8801766 BQJYJBZGYCUCJI-UHFFFAOYSA-N 354.602 7.609 30 40 FKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2ccccc2)s1 97951614 IUJYKAYSFPBUMF-UHFFFAOYSA-N 374.554 6.255 30 40 FKEB CCCCC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 102121262 BIMIEBMZQZLFKK-NZLXZLRXSA-N 350.506 5.831 30 40 FKEB CCCCCCCCCCCCCCCCCSc1cccc(C)c1 104134625 BUZANONHJFUQFT-UHFFFAOYSA-N 362.667 8.959 30 40 FKEB COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409092630 XKEYLLWRQQPELT-LUILSVGHSA-N 352.503 5.530 30 40 FKEB Cc1nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c2c1CCCC2 947956 IXWLXERACZPIMG-UHFFFAOYSA-N 363.313 5.740 30 40 FKEB CCN(CC)c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c1 1807162 FJUOBOJIJWDANZ-JJIBRWJFSA-N 359.473 5.733 30 40 FKEB O=C(/C=C/c1c[nH]nc1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 4426908 FGUBMTRRPWUGOI-DHZHZOJOSA-N 358.372 5.372 30 40 FKEB Cc1sc2ncnc(N/N=C/c3c(Cl)cccc3Cl)c2c1C 5053423 OIFIMBPEQWHZPW-CGOBSMCZSA-N 351.262 5.061 30 40 FKEB COc1ccc(CC/C(C)=N/n2cc(-c3ccccc3)[nH]c2=S)cc1 6157987 VIBZGXIRYOCJKB-PXLXIMEGSA-N 351.475 5.078 30 40 FKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 16711502 TVYFGKIFTHUNBE-CLCOLTQESA-N 374.431 5.962 30 40 FKEB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1 19832264 YAJUNKUTBISEFV-UHFFFAOYSA-N 370.239 5.185 30 40 FKEB CCc1ccc2ncc(C#N)c(N3CCC(Cc4ccccc4)CC3)c2c1 64580654 RNRVSYUYTSCJLF-UHFFFAOYSA-N 355.485 5.128 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 223496267 FGNOUZVTACJVFO-OYKKKHCWSA-N 352.909 6.501 30 40 FKEB C=CCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 226360020 OUBMNSQNJLDALD-UHFFFAOYSA-N 368.230 5.007 30 40 FKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408863550 NKIXDVCZKYGZAO-UNOMPAQXSA-N 366.486 5.019 30 40 FKEB N#Cc1c(/N=C/c2cc3ccccc3nc2Cl)sc2c1CCCC2 408977326 VKQPLMBFUAFSIA-SSDVNMTOSA-N 351.862 5.451 30 40 FKEB C=CCc1cc(/C=N/O)cc(OC)c1OCc1ccc(Cl)cc1Cl 409071828 SIQMXJAAXKUHEH-UFFVCSGVSA-N 366.244 5.118 30 40 FKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1C 409092360 UZHQLAIMWHJMOJ-ANDSAHIGSA-N 366.530 5.838 30 40 FKEB O=C(Nc1cccc2ccccc12)N1CCCCC/C1=N\c1ccccc1 1409655 IIZDGHSULGUSKB-ZNTNEXAZSA-N 357.457 5.978 30 40 FKEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 6595409 BUUNVFXHAOZKJU-UHFFFAOYSA-N 362.285 5.519 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 8368098 PPTHQYCBKUOEPW-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB COc1ccccc1/C=C\C(=O)c1ccccc1OC(=O)c1ccc(C)cc1 12954504 QSIRFRAEWHIFTA-NXVVXOECSA-N 372.420 5.119 30 40 FKEB CCCCCCCCCCC[C@H](O)C[C@H]1OC(=O)[C@H]1CCCCCC 77293334 RSOUWOFYULUWNE-PCCBWWKXSA-N 354.575 6.170 30 40 FKEB in-vitro CCN1c2ccc(/C=N/c3ccc(NC(C)=O)cc3)cc2[C@H](C)CC1(C)C 198100592 SQLCEGKBLMZIAA-DTVDJLOLSA-N 363.505 5.508 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1 408622481 PNECNYZYCNCCLB-JXMROGBWSA-N 353.761 5.404 30 40 FKEB CCCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 408898874 NGNKDQYJZHHHDN-RGEXLXHISA-N 366.486 5.066 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 6551311 PPIODVIIAXUICI-ACCUITESSA-N 373.408 5.378 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 7939564 BGMBVTYQHFHXFO-UKTHLTGXSA-N 354.446 5.166 30 40 FKEB CCCCCCCCCCCCCC(=O)Nc1ccc(NC(C)=O)cc1 8452325 NDBDTFZYGNOZNH-UHFFFAOYSA-N 360.542 6.285 30 40 FKEB Cc1ccccc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C 10118934 NMOSBJFLPNNSOX-ZVHZXABRSA-N 351.881 5.180 30 40 FKEB CC(C)N/C(=N/c1ccc(Br)cc1Cl)c1ccccc1 25637451 YTJAJZAVZRRTHA-UHFFFAOYSA-N 351.675 5.179 30 40 FKEB O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 31872613 XQZXRYFHQGNJJS-MJZABRMRSA-N 354.405 5.202 30 40 FKEB O=C(/C(=C\c1ccc(Cl)cc1)Oc1ccccc1O)c1ccccc1 32624689 PIMHSILUVSUCTB-XSFVSMFZSA-N 350.801 5.348 30 40 FKEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)N[C@@H](C)COC 104109838 SIDPVABXALOZOR-PWRODBHTSA-N 369.590 5.386 30 40 FKEB CCCCCCCCCCCCCCCOc1ccc2ccccc2c1 104134585 FXYVOCVVKLGHEY-UHFFFAOYSA-N 354.578 8.310 30 40 FKEB O=[N+]([O-])c1ccc(/C=N\c2ccc3c4c(cccc24)-c2ccccc2-3)cc1 104202396 KJTGAJIINMQFBV-OYKKKHCWSA-N 350.377 6.146 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(C(C)C)cc3)cc21 223521424 UMUSNZPAWBEYAP-JVWAILMASA-N 374.572 7.279 30 40 FKEB Cc1ccc(N/N=C\c2c(C)nn(-c3cccc4ccccc34)c2C)cc1C 408996577 QDQVDOKYXVGINV-MYYYXRDXSA-N 368.484 5.705 30 40 FKEB O=C(c1ccc(Oc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F 575358705 ADNMHELCGQQSTP-UHFFFAOYSA-N 366.232 5.495 30 40 FKEB C=C(C)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(C(=O)O)cc1 2037879966 ZRUUKYXEWRQBCD-UFYCRDLUSA-N 356.849 5.823 30 40 FKEB CCCCCCCCS/C(=C(/c1ccccc1)[N+](=O)[O-])c1ccccc1 1831119 ZWVPPPPGXSWZGV-DQRAZIAOSA-N 369.530 6.883 30 40 FKEB CCCCC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 4375811 BIMIEBMZQZLFKK-JWZWQBCJSA-N 350.506 5.831 30 40 FKEB COc1cc2c(cc1/N=C/c1ccc3ncccc3c1)oc1ccccc12 12601555 ONOLMLDRIPJFTK-AFUMVMLFSA-N 352.393 5.893 30 40 FKEB O=[N+]([O-])c1ccc(Br)c2cccc(/C=N/c3ccccc3)c12 13402756 YTROOTGTGLIWOO-YBFXNURJSA-N 355.191 5.261 30 40 FKEB Cc1cc(O)c(C(C)C)cc1/N=C1/NC(=O)S/C1=C\c1ccc(F)cc1 28294957 PRCBYAGGCLXXOY-NVMNQCDNSA-N 370.449 5.491 30 40 FKEB O=C1CCCCC/C1=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 33787377 WXCPZSNKFGVOND-MDZDMXLPSA-N 351.290 5.553 30 40 FKEB CCOc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 59483133 RHIAGAYSQCOFLA-KOEQRZSOSA-N 367.452 5.689 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc2C(C)=CC1(C)C 223500278 OVHVSFSKAPKTAK-OYKKKHCWSA-N 352.909 6.421 30 40 FKEB C=C[C@](C)(O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O 245333794 ATQYAMUGIFHJOX-OOOLTRJPSA-N 350.543 5.268 30 40 FKEB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(C#N)cc3F)ccc2o1 408619554 CTKRBRWSGHDKKP-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)ccc3O)c2C#N)C1 409090147 LNTJIMDTQNFCJG-HKNSOBRKSA-N 372.921 5.880 30 40 FKEB COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC#N)c1C#N 2074230 SSASZQYNYYAWMM-UHFFFAOYSA-N 371.465 5.220 30 40 FKEB O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 4331929 RERDDPUMMNVEFN-NTCAYCPXSA-N 355.412 5.725 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 4869405 GDIKBRBPVKUXRM-CIAFOILYSA-N 368.824 5.102 30 40 FKEB C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccccc13)C2=O 8765530 AFVCVKATMFMRMD-WSDLNYQXSA-N 373.452 5.541 30 40 FKEB biogenic C(=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 16954051 XALKZBRZSFSNIM-SZXQPVLSSA-N 363.460 6.029 30 40 FKEB C=CCc1ccccc1OCCCCSCc1nc2ccccc2[nH]1 82087188 IBGVJZRNCBDGGK-UHFFFAOYSA-N 352.503 5.384 30 40 FKEB FC(F)(F)c1cccc(/N=C\C=C/Nc2cccc(C(F)(F)F)c2)c1 100683105 RZUIQNCSIZJPGE-LQXHBIKOSA-N 358.285 6.052 30 40 FKEB CCn1c(N/N=C/c2cccc(OCc3ccccc3)c2)nc2ccccc21 408692431 MHBYQXABYHZZRJ-LFVJCYFKSA-N 370.456 5.081 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc3ncccc3c2)c1C 408966138 KCNBENWSMXKDEG-WGOQTCKBSA-N 353.469 5.955 30 40 FKEB CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H]1CO1 1569995241 ACYNJBAUKQMZDF-IJYFTVHFSA-N 360.538 6.074 30 40 FKEB CC(C)(C)C1=Cc2c(-c3ccccc3)oc3c(C(C)(C)C)ccc(c23)C1=O 2269997 QLPBGPXWKVAONT-UHFFFAOYSA-N 358.481 7.023 30 40 FKEB CCCCCCCCCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21 3087220 OUOYYPNXOHMEAL-UHFFFAOYSA-N 359.510 5.973 30 40 FKEB biogenic,in-vitro C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(-c2ccccc2)cc1 4621172 XXBNWTOZZHZZTN-JJIBRWJFSA-N 359.498 5.373 30 40 FKEB Cc1ccc(-n2c(SCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 5007358 YPYPGKUSPAJHTM-UHFFFAOYSA-N 362.502 5.156 30 40 FKEB O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 6048971 VHRWKGKBNIKHMS-WUXMJOGZSA-N 363.344 5.422 30 40 FKEB CCOc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3)N=C2O)ccc1O 6464477 YDXAXKBXKISMHW-SXGWCWSVSA-N 374.849 5.176 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl 8570856 HHNBYQWIECALFX-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 14671677 CYLGIHLARICFQP-PKNBQFBNSA-N 352.817 5.813 30 40 FKEB c1ccc(CON=C(c2cc3ccccc3o2)c2cc3ccccc3o2)cc1 68603821 DQYLUPOJMXSGPR-UHFFFAOYSA-N 367.404 6.148 30 40 FKEB biogenic CCCCCCCCCCc1ccc(N/C(=C/[N+](=O)[O-])SC)cc1 100166551 XFJZXNSCSZICRM-MNDPQUGUSA-N 350.528 6.220 30 40 FKEB CCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 101674682 CRCQGUFXCOOMGP-UHFFFAOYSA-N 373.537 6.098 30 40 FKEB N#Cc1c2c(/c(=N\c3ccc(Cl)cc3)n3c1[nH]c1ccccc13)CCCC2 102858234 VKPGKGVIXMGDRK-NJNXFGOHSA-N 372.859 5.057 30 40 FKEB C(=N\c1ccc2c(c1)Cc1cc(/N=C\c3ccccc3)ccc1-2)\c1ccccc1 104050802 YMZBHUHJIBQDTG-IFEPHKIBSA-N 372.471 6.759 30 40 FKEB Cc1cccc(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c1 409311109 DKIRSRKEZWQHTM-HMAPJEAMSA-N 358.462 5.904 30 40 FKEB O=C(C=Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2039087219 AQUDAQATXWUGHF-UHFFFAOYSA-N 354.405 5.202 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3o2)c1 728269 ICWJHTPPEZCEST-SSDVNMTOSA-N 364.788 5.310 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 3066510 WQOUZDWHFDXPTQ-LPYMAVHISA-N 357.369 5.462 30 40 FKEB Cc1cc(=O)oc2cc(OC(=O)/N=C(/c3ccccc3)C(C)(C)C)ccc12 28293922 KGFXTCCNJFLWNR-ATJXCDBQSA-N 363.413 5.136 30 40 FKEB Cc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 59676478 IFKHFSCQROGXSN-BUVRLJJBSA-N 374.509 5.938 30 40 FKEB CCCCCCCCCCCCCCCCCCc1c(C)cc(C)cc1C 100307909 SDJSEINVDXJJCL-UHFFFAOYSA-N 372.681 9.416 30 40 FKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccccc3)c3ccccc32)c1 408542061 JUOQXLNKAIJXGP-MFKUBSTISA-N 368.436 5.227 30 40 FKEB O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408868812 BMOJKJNNMPVJJU-GTFONSFASA-N 370.449 5.355 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 409216177 IJOIJEUTFOCWPI-MFKUBSTISA-N 359.469 5.950 30 40 FKEB CCCCCCCCCn1c(NCc2ccccc2O)nc2ccccc21 1903295 VHYJAZCSOOCXSR-UHFFFAOYSA-N 365.521 6.105 30 40 FKEB N#C[C@H](CC(=O)O)C(c1cccc2ccccc12)c1cccc2ccccc12 2037085 HASWXXKOZIUWRM-IBGZPJMESA-N 365.432 5.739 30 40 FKEB N#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccc(Cl)c(Cl)c1 3128339 DIPMIJOELRXPKR-UHFFFAOYSA-N 359.187 5.858 30 40 FKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 3211269 NODULPVOUHYWJQ-LFVJCYFKSA-N 361.441 5.424 30 40 FKEB O=C1/C(=N\Nc2cc(Cl)ccc2Cl)Sc2ccc3ccccc3c21 4499529 GNKWSJIWLQFKIJ-RELWKKBWSA-N 373.264 5.861 30 40 FKEB COc1ccc(CO/N=C(/C)c2ccc3noc(-c4ccccc4)c3c2)cc1 5221141 WKCXFXZOKAHYEU-JLPGSUDCSA-N 372.424 5.444 30 40 FKEB N#Cc1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1Cl 6863894 BRTGYTKBAIJEDK-MOSHPQCFSA-N 358.828 5.391 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c1 16284631 LIZNHKHISIFFTL-SRZZPIQSSA-N 354.793 5.876 30 40 FKEB CCN(CC)C/C(O)=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 49563512 JGFAJYFJRDBUJC-UHFFFAOYSA-N 371.550 5.788 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N\c3cccc4cccnc34)c2C)c1 59426955 FGFCUVPCDUACEC-YSMPRRRNSA-N 353.469 6.010 30 40 FKEB CCCCCCCCCCCC(=O)OCCP(=O)(OCC)OCC 100302711 XOYMBJDSLQDOSJ-UHFFFAOYSA-N 364.463 5.717 30 40 FKEB CCCCCCCCCCCCCCCC/N=C(\CC(=O)O)C(=O)O 100306201 GHDFDXXVEMEIQG-DYTRJAOYSA-N 355.519 5.468 30 40 FKEB O=C(/C=C(\C=C/c1ccccc1)c1ccccc1)CC(=O)c1ccccc1 104253912 CIHNUILUZTVQRS-LDEAKCMXSA-N 352.433 5.626 30 40 FKEB CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@@H]12 107434709 GUXDHNIKRQCWIE-KOQOFTCESA-N 368.561 5.651 30 40 FKEB biogenic,in-vitro C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccc(OC)cc1)[Si](C)(C)C 197883502 LRTSAPNQEIJKBR-XDOYNYLZSA-N 366.653 5.678 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@H]32)C1 257198428 RXZQACCASWKYSX-ODHHDCMOSA-N 373.537 5.347 30 40 FKEB biogenic,in-vitro COc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(Cl)cc1Cl 409062387 SVGDFFFWCQCHDU-VOTSOKGWSA-N 356.636 5.464 30 40 FKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2cccc(Cl)c2)c1 409203856 YJSGZSBPHLSESX-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB c1ccc(Nc2nc(NN=C3CCCCC3)nc(Nc3ccccc3)n2)cc1 1105181 YCQDEEILVCJSHS-UHFFFAOYSA-N 373.464 5.091 30 40 FKEB C=CC[C@H](OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1cccc(OC)c1OC 4682996 SPJSDMUVWYYMBN-AOIWGVFYSA-N 358.478 5.103 30 40 FKEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(Cl)cc2)c1O)CCCC3 4808923 JTCVTNDFTJBKAR-UFFVCSGVSA-N 370.792 5.329 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(OCC)cc1 16711430 OZALQAKQZKGDRP-DQRAZIAOSA-N 366.486 5.042 30 40 FKEB Cc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccccc2)cc1 59463808 PVLSZYBMNUQRNG-MFKUBSTISA-N 372.468 6.675 30 40 FKEB CCCCCCCCCCCCNC(=S)N1CCc2ccccc2C1 59662032 ARHUJDAGIPEOLC-UHFFFAOYSA-N 360.611 5.840 30 40 FKEB CCCCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)nc2)cc1 98045167 AQVUBVQSEJHSDV-UHFFFAOYSA-N 354.497 6.800 30 40 FKEB CCCCCCCCCCCCc1ccc(/N=N/c2ccc(O)cc2)cc1 101004824 ZLJDSDUACHVLEO-OCEACIFDSA-N 366.549 8.271 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 260562994 DVPCTVQTLWBVBJ-DNPFKWNUSA-N 354.925 6.511 30 40 FKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 408916393 WZMKOEWUZHUPGO-XNGCSZICSA-N 368.477 5.537 30 40 FKEB Cc1ccsc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O 409002175 YPIWKAOKYXQCDT-GHXNOFRVSA-N 369.298 5.255 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C 409159900 BKHQVRIAYBWFCZ-LSFURLLWSA-N 359.212 6.086 30 40 FKEB N#Cc1c(SCCOc2ccccc2)nc2c(c1-c1ccccc1)CCC2 2119209 YKSXYTYKADWNDT-UHFFFAOYSA-N 372.493 5.280 30 40 FKEB Cc1c(/C=C/C(=O)/C=C/c2sc3ccccc3c2C)sc2ccccc12 2151171 SZCQZLNFSLGHEO-PHEQNACWSA-N 374.530 7.029 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc(F)cc1 4235616 AHYNWWTWJFIDFG-QFIPXVFZSA-N 371.455 6.180 30 40 FKEB biogenic Clc1ccc(-c2csc(N/N=C\c3cccs3)n2)c(Cl)c1 4567566 QYWXPZMVCMRXOL-IDUWFGFVSA-N 354.287 5.624 30 40 FKEB Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)cc1Cl 18179858 PEHXVIUDTMCELW-UHFFFAOYSA-N 372.859 5.553 30 40 FKEB C(=N/c1ccccc1)\C1=C(c2ccccc2)/C(=C/Nc2ccccc2)CCC1 44672320 OGSKPHYBLKXWJG-QCRHFXQNSA-N 364.492 7.023 30 40 FKEB CC/C(C)=N\Nc1nc2c([C@H](O)c3ccccc3)cc(Cl)cc2s1 57327706 ABMOZDBPJVQFTO-BYINCCNUSA-N 359.882 5.229 30 40 FKEB CCCCCCCCCCCCCCCc1noc2c1/C(=N\O)CCC2 100400373 RNLIKOTUPOSZCH-NMWGTECJSA-N 362.558 6.823 30 40 FKEB CCCCCCCCOc1ccc(-c2nccc(-c3ccco3)n2)cc1 100912625 CWFLKXVFYRGGHT-UHFFFAOYSA-N 350.462 6.143 30 40 FKEB CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)OCCC 104388537 VQXMBCHWQMSJHU-VQTJNVASSA-N 358.563 5.143 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc([C@@H](C)CC)cc2)c1C 197656785 DBYBVKWGRBZHMV-WYZSWBMLSA-N 358.529 6.921 30 40 FKEB COc1ccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(C)o3)cc2)cc1 409358794 MBAPYODZFICZER-CCEZHUSRSA-N 363.413 5.588 30 40 FKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Cl)cc1 799754 YDZMAQQRZZICQN-AFUMVMLFSA-N 359.860 6.046 30 40 FKEB COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O 3158544 FIWHPKDAMYWOLH-YDZHTSKRSA-N 374.465 5.737 30 40 FKEB FC(F)(F)c1ccccc1NC(=S)N/N=C/c1cccc2ccccc12 3283675 DTPREMVBRORVCG-FSJBWODESA-N 373.403 5.179 30 40 FKEB O/N=C(/CC(C/C(=N/O)c1ccccc1)c1ccccc1)c1ccccc1 5515719 LXSYZTHRPVSNTI-HKOLQMFGSA-N 358.441 5.307 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1ccccc1 5734463 HPENASYRRYAWPO-HXUWFJFHSA-N 352.865 5.562 30 40 FKEB CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 32138868 QZTKZBUEOGMERA-WUKNDPDISA-N 371.436 5.339 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3cccc(Cl)c3)n2)cc1C 44827485 LZVBHJWRCQHBHH-JJIBRWJFSA-N 366.877 5.420 30 40 FKEB CN(C/C(O)=N/c1ccccc1Cl)Cc1csc(-c2ccccc2)n1 82098413 BBQDZHRXPUZYOL-UHFFFAOYSA-N 371.893 5.184 30 40 FKEB O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@H]1CCC[C@H]2/C1=N/Nc1ccccc1 101138592 QYOXYFORJPSJMA-FJHZVVHWSA-N 374.528 5.590 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1 223501220 TWLQDEGLRCDJMM-MYYYXRDXSA-N 362.517 6.165 30 40 FKEB C=CCOc1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225333004 PJJPFVORELVAII-UHFFFAOYSA-N 350.245 5.130 30 40 FKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408942144 XSNCRETUGNMNQN-PCVHLMMSSA-N 364.492 6.572 30 40 FKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 5750273 BMYQMKSLYJYCFT-KRXBUXKQSA-N 356.046 5.652 30 40 FKEB O=C(/C=C(\O)C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1 8701281 KRJDVXITEUEROS-SXGWCWSVSA-N 356.727 5.106 30 40 FKEB N#C/N=C(/S/C=C/C(=O)c1ccccc1F)SCc1ccccc1 16480834 YQMOGCLFWCQCQP-SDMMKSMRSA-N 356.447 5.026 30 40 FKEB C/C(CC12CC3CC(CC(C3)C1)C2)=N\Nc1c(F)c(F)nc(F)c1F 36289930 YMMDVYLVSHHWDR-PGGKNCGUSA-N 355.379 5.032 30 40 FKEB CCCCCCCCCCCCCCCCC(=O)c1ccc(O)c(O)c1 97949710 RUVBMOMMJNDVKF-UHFFFAOYSA-N 362.554 7.152 30 40 FKEB C[C@@H]1[C@H]2C/C(=N/Nc3nc(-c4ccc(Cl)cc4)cs3)[C@@H](C2)C1(C)C 103663352 PMOPGEDYCSIGCV-QHCYDJGTSA-N 359.926 5.934 30 40 FKEB C=C(C)COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 219776445 OARWVEBCWWOKCZ-UHFFFAOYSA-N 371.480 5.484 30 40 FKEB C(=Nc1ccccc1)C1=C(c2ccccc2)/C(=C/Nc2ccccc2)CC1 254448746 KLFRQLRBVABXEY-OZEVXZMDSA-N 350.465 6.633 30 40 FKEB Cc1ccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3[N+](=O)[O-])cc2)cc1 1100147 BELMQWLAVZSDHJ-UHFFFAOYSA-N 355.353 5.106 30 40 FKEB O=[N+]([O-])c1ccc(O/C(=N\c2ccccc2)c2cccc(Cl)c2)cc1 2072698 BFERFKJOTCJWHC-VZCXRCSSSA-N 352.777 5.406 30 40 FKEB Fc1ccccc1COc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 4561938 IQDJPYMEVNKOAU-MFKUBSTISA-N 371.415 5.399 30 40 FKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccccc1Cl 5550963 SHPCPUSFJSEUSD-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3Cl)c2C#N)C1 6764124 DVVISLICDFCGJQ-SECBINFHSA-N 365.285 5.304 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(NC2=NCCCS2)cc1 13041956 DBNAYMXFFBNQRQ-NYYWCZLTSA-N 356.878 5.141 30 40 FKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccccc1Cl 408589731 FUIVGBXEDJZZGH-ZMOGYAJESA-N 363.848 5.170 30 40 FKEB CC(C)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1Cl 408934185 LNSKRGPBJDIRGQ-YVNNLAQVSA-N 356.775 5.592 30 40 FKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1Cl 409090231 LLIWWDCMLVBSFF-QFEZKATASA-N 365.904 6.264 30 40 FKEB Cc1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C#N)c1C 2503071 LBMJWUOZTWXDJX-UHFFFAOYSA-N 360.438 5.113 30 40 FKEB Clc1cccc(Cl)c1/N=C/c1c2ccccc2cc2ccccc12 4018248 PZWQEZNZVSPAGA-ZMOGYAJESA-N 350.248 7.050 30 40 FKEB C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 4975173 ZFIQRFCKNBMEDW-PJSUUKDQSA-N 372.295 6.385 30 40 FKEB N#Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)oc(-c2ccco2)c1-c1ccco1 5750071 PJPIIKCUXZQWBX-WSDLNYQXSA-N 373.324 5.330 30 40 FKEB C=CC(=O)N(c1ccccc1)[C@H](C#N)c1ccccc1OCc1ccccc1 16848742 ODUZVYKWMHKIIB-JOCHJYFZSA-N 368.436 5.049 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 59462026 HMXGCTGMZHWRFY-FOKLQQMPSA-N 368.786 5.415 30 40 FKEB CCCCCCCCCCCCCCCCCCNC(=O)SCC 104386667 SYSKNXQEMYEEEE-UHFFFAOYSA-N 357.648 7.711 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N/Nc1ccc2ccccc2n1 409017484 WXKZCFFVFDKJPM-LFVJCYFKSA-N 355.441 5.623 30 40 FKEB CCN(CC)c1ccc(/C=C2\CCCC/C(=C(/O)C(F)(F)F)C2=O)cc1 409354250 AYXVVZJLMXMMIB-SLAFCHKUSA-N 367.411 5.434 30 40 FKEB Cc1cccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)c1 711441 BDXSFQJVJHYVJX-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB C=C1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)CC2=C(C)CC[C@@H]12 849538 FIVVYCVIXJNZET-PKOBYXMFSA-N 355.434 5.223 30 40 FKEB biogenic CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)c1ccccc1 2086634 CZIJYNAAVCVXST-INIZCTEOSA-N 352.503 5.411 30 40 FKEB Oc1c(Br)cc(Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2 6505211 VUPYWIABSZWTDH-AWQFTUOYSA-N 368.702 5.196 30 40 FKEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\Cc2ccccc2C1=O 7742166 YYSZCQPZHVSQOC-LDADJPATSA-N 362.860 5.024 30 40 FKEB CCOC(C/N=C/c1cc(C)c2sc3ccccc3c2c1C)OCC 18117950 OIXBQFHAYLPPLP-WSDLNYQXSA-N 355.503 5.489 30 40 FKEB CCCCCCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 97941882 MCBWJSZNAPHVLA-UHFFFAOYSA-N 354.878 5.509 30 40 FKEB CCCCCCCOc1cccc(NCc2ccccc2OCCC)c1 100039029 WSWOCGRVNZSPPP-UHFFFAOYSA-N 355.522 6.437 30 40 FKEB Cc1cccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)c1 102417520 ZDBSXZYSSJQBDV-FSJBWODESA-N 362.816 5.913 30 40 FKEB CCC(=N\Nc1ccc(Cl)cc1)/C(CC)=N/Nc1ccc(Cl)cc1 102442649 GUHKBHCBIAIKAQ-GJHDBBOXSA-N 363.292 6.049 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 408586033 ASIFTXVMEOIOGO-WSDLNYQXSA-N 358.272 5.847 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2C)cc1 408910362 KIVVFHLQHHMDGL-QNQNADBQSA-N 358.466 5.382 30 40 FKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1 409074622 WAQMZOJJNVDRHT-XQNSMLJCSA-N 362.429 5.350 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 409202683 SPFKTFDYQPCBSP-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB C=CCOc1c(Cl)cc(/C=C2\Sc3ccccc3C2=O)cc1OCC 409300759 AVLHLKNWZMUMFY-PDGQHHTCSA-N 372.873 5.633 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc3ccccc3c2)cc1OC 409381989 JOUJIDFDIFUBAN-CPISYKEBSA-N 367.876 6.430 30 40 FKEB COc1cc(OC)c(/C=N/c2c(C)cc(C)cc2C)cc1Br 1087171 CMVKYDULSPMSMY-KEBDBYFISA-N 362.267 5.142 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)Sc2ccccc21 1105307 BPFPYSNNJCEBLS-WQRHYEAKSA-N 372.367 6.295 30 40 FKEB COc1cc(/C=N/c2ccc3ccccc3c2)cc(Br)c1O 2301006 LYWYXMDRJUZRCT-RGVLZGJSSA-N 356.219 5.067 30 40 FKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O 4024974 SLDWPHKWAUXEFI-UHFFFAOYSA-N 374.749 5.253 30 40 FKEB C/C(C/C(C)=N/c1cccc2ccccc12)=N\c1cccc2ccccc12 4670956 BRKONHYIEZCXEU-BFNWXZRRSA-N 350.465 7.268 30 40 FKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4802608 UGWNKYKPHMNJKO-JKQJJNQASA-N 365.517 5.493 30 40 FKEB C/C(=C\C(=N\Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 8649207 OXSZEXILERCPLU-FWTQRPBJSA-N 369.493 6.216 30 40 FKEB N#Cc1c(NC(=O)Nc2ccccc2C(F)(F)F)sc2c1CCCC2 28227147 KVQMTBYHZFRVTP-UHFFFAOYSA-N 365.380 5.161 30 40 FKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(C)c3)c(C)c2s1 72228579 FHLWQWITXRMHLM-UHFFFAOYSA-N 366.490 5.282 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl 408764010 VNTRVQGERIHYTI-FSJBWODESA-N 357.284 6.460 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C(C)(C)C)cc2)c1C 408962288 YBZHWNKRDMKGPW-PKAZHMFMSA-N 372.556 7.013 30 40 FKEB Cc1c(Cl)c(C)c(/C=N/c2ccccc2Cl)c(O)c1Br 1435387 JICPGHAWZDAEAQ-FBCYGCLPSA-N 373.077 5.829 30 40 FKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(O)c1 3068161 QTXYOYXYVAFXMK-YDZHTSKRSA-N 365.816 5.324 30 40 FKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc(C)c1O 6825869 KJVWADGKUSFYFM-YDZHTSKRSA-N 351.833 6.205 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)nc2c1 17206901 FDCUCLADZJWVMV-FSJBWODESA-N 362.816 5.913 30 40 FKEB CCCCCCCOc1cccc(NC[C@@H](C)Oc2ccc(CC)cc2)c1 100039052 WYAJAXGZZAWWLQ-HXUWFJFHSA-N 369.549 6.478 30 40 FKEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)cc1C#N 225827681 OJBVRKRYXCZESX-NRFANRHFSA-N 360.498 5.051 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)cc1 408692331 JZZSCTQAMNSUBT-ZRDIBKRKSA-N 374.440 5.515 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2C)cc1Cl 409010029 JGJCFYBXOFPNOX-LVCXCXRVSA-N 359.853 5.363 30 40 FKEB CC(=O)Nc1ccccc1/N=C/C=C1/C=C(c2ccccc2)OC(C)(C)O1 843499 MVBCVRFSOXWRJJ-HCWGUIKXSA-N 362.429 5.055 30 40 FKEB CCC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 2274587 XUGZIYNCESCXPH-UHFFFAOYSA-N 364.495 5.420 30 40 FKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1ccccc1O 2290183 AFELWNIFHFAQNS-WSDLNYQXSA-N 365.454 5.356 30 40 FKEB N#CCCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 4671146 JHMFWDZLXCTOEP-UHFFFAOYSA-N 354.497 5.652 30 40 FKEB O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 5675483 NPGQDHORGPOZSS-XXKVJXOSSA-N 350.643 5.085 30 40 FKEB Fc1c(F)c(C#Cc2ccccc2)c(F)c(F)c1C#Cc1ccccc1 50063378 ZNPXKSNJBLIZIP-UHFFFAOYSA-N 350.314 5.043 30 40 FKEB CCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530992 KEHQDHAUFSPWBZ-ISLYRVAYSA-N 370.490 8.612 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219811215 MKUABXQGLGSJEE-MRXNPFEDSA-N 353.531 5.753 30 40 FKEB CCN(CC)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 408739927 GTEQUHIQHJHVIH-ONUIUJJFSA-N 373.544 6.308 30 40 FKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 408863001 KBNYHRQEWVSNBF-MOSHPQCFSA-N 374.465 5.048 30 40 FKEB CC1=NOC(=O)/C1=C/c1c(OCc2cc(C)cc(C)c2)ccc2ccccc12 408936611 GYIKUXYTIHPCCR-FYJGNVAPSA-N 371.436 5.352 30 40 FKEB C=C1C(Cl)=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1 2447629 RDSNILCNQBWVDJ-LJQANCHMSA-N 350.870 6.436 30 40 FKEB C(=N/Nc1nc2ccccc2s1)\c1c2ccccc2cc2ccccc12 4133083 LKDLXBLDRRNSKU-OEAKJJBVSA-N 353.450 6.049 30 40 FKEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1 4710523 LMIFYYJMGLFZBN-QHCPKHFHSA-N 368.480 5.923 30 40 FKEB Cc1ccccc1-c1n[nH]c(=S)n1/N=C/C(Cl)=C\c1ccccc1 6208384 MGEFWCFIEFFEHF-KFURHSOJSA-N 354.866 5.030 30 40 FKEB Oc1ccc2ccccc2c1/C=N\Sc1ccc(Br)cc1 17062374 VZRQUKIHINCHGV-ODLFYWEKSA-N 358.260 5.434 30 40 FKEB FC(F)(F)c1cc(Cl)nc(/N=C(\Cl)c2ccc(Cl)cc2)c1 91695322 OZZWMHKLTMOWKM-MTJSOVHGSA-N 353.558 5.724 30 40 FKEB Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(C)oc3C)cc2)c(C)o1 95101085 JVKRHODDKBWVQH-WGDLNXRISA-N 374.436 5.898 30 40 FKEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1ccccc1 408806008 DRLJDBSVTKBHDG-UCQKPKSFSA-N 364.832 5.108 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 504588100 PRWWYYCTGGYLJU-SFHRRPEUSA-N 372.549 5.476 30 40 FKEB CCCCCCCCCC(=O)NN1c2ccccc2CCc2ccccc21 3212579 YSMNCZNJJXRZQW-UHFFFAOYSA-N 364.533 6.095 30 40 FKEB biogenic N#C[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 5028400 VHRUTNANODBVQT-AREMUKBSSA-N 359.472 6.328 30 40 FKEB CC(C)COc1ccc(/C=N/N=C/c2ccc(OCC(C)C)cc2)cc1 5205790 XTPBKNOASGVORX-RNIAWFEPSA-N 352.478 5.209 30 40 FKEB Cc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccccc1 12250134 IKKQRNFWGUFMAP-UHFFFAOYSA-N 359.454 5.152 30 40 FKEB Cc1cc(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc2n1 41127767 WLEOLTGMIWFRPA-LPYMAVHISA-N 372.384 5.157 30 40 FKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)C(C)C)c(Cl)c2s1 72229000 LKLLZBUDYISZFU-ZBKNUEDVSA-N 373.309 5.395 30 40 FKEB C(=N\Nc1ccccc1)\c1cn(CCOc2ccccc2)c2ccccc12 83252756 MTWYGVHXBCWMHE-ULJHMMPZSA-N 355.441 5.166 30 40 FKEB CCCCCCCCCCOc1ccc(C(=O)Nc2nccs2)cc1 98023337 RAHXQZKOXGWRFQ-UHFFFAOYSA-N 360.523 5.915 30 40 FKEB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C#N 225798679 XIXUAOSCMSOULY-UHFFFAOYSA-N 374.525 5.153 30 40 FKEB C=CCOc1ccc(Br)cc1CNc1ccc(OCC)cc1 409120986 VAWOSHQVQFKXKU-UHFFFAOYSA-N 362.267 5.025 30 40 FKEB O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2)ccc1Sc1ccccc1 409122440 YPPAXNXLODPTBZ-BKUYFWCQSA-N 368.845 6.150 30 40 FKEB CCCCCCCc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 2058484 IOKKXVKDLKMIEO-UHFFFAOYSA-N 354.881 6.570 30 40 FKEB CC(C)n1c(/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc21 2268636 VLIZKLMFEZCVCC-WGOQTCKBSA-N 363.464 6.674 30 40 FKEB C[C@H](NC/C(O)=N/c1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1 23865746 MGBCTYZQIIARAT-LBPRGKRZSA-N 373.428 5.027 30 40 FKEB CCOc1ccc(/N=C2/NC(=O)S/C2=C\C=C\c2ccccc2)cc1 24091577 FLBJXNXPFCWPJX-CVCOPPNTSA-N 350.443 5.169 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1 103012282 XTCPLCSVUHBGBJ-CJLVFECKSA-N 354.498 5.279 30 40 FKEB CCOc1cc(C)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1C(C)C 408930821 CMVIFCFSQYGOPZ-LFVJCYFKSA-N 366.505 5.104 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1C 409199884 FJNZZORIFNSNOV-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CC1(C)[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1C=C(Cl)Cl 829058 FFYZCTIAPVYXFP-SMDDNHRTSA-N 369.317 5.028 30 40 FKEB COc1ccccc1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1435150 SFTAWRDFSFXQER-RGVLZGJSSA-N 356.765 5.267 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2077857 YFMSIVMSEGIVCP-NPKLGYRUSA-N 358.522 5.086 30 40 FKEB biogenic O=C(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 4783576 LJVKAAJFUJOCEI-UHFFFAOYSA-N 360.456 6.529 30 40 FKEB C=CCOc1ccc(Br)cc1/C=C1/Sc2ccccc2C1=O 5382803 KWNHQMMCWWMHRR-GZTJUZNOSA-N 373.271 5.343 30 40 FKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1 5520175 FSCDTJWEVVGFSO-RGEXLXHISA-N 350.487 5.229 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 8570911 FAXKNPCAMSGQHX-YZSQISJMSA-N 351.449 6.478 30 40 FKEB C=CCOc1cccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c1 22534943 LMONQMDEQYPKMG-SFHVURJKSA-N 361.894 5.414 30 40 FKEB Oc1ccc(/N=N/c2nonc2-c2ccccc2)cc1/C=N\c1ccccc1 100108708 GUWQIBFZRPWQSF-INSNIRTPSA-N 369.384 5.608 30 40 FKEB CCCCCCCCCCCCCCCCCC[N+]1(C)CCOCC1 104171453 BYVVRXRDLHCKGV-UHFFFAOYSA-N 354.643 6.725 30 40 FKEB Clc1cc(Cl)cc(/N=C/C=C\Nc2cc(Cl)cc(Cl)c2)c1 104313291 WCKYYJKBGZSGCJ-AKVOSGIGSA-N 360.071 6.628 30 40 FKEB C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 219786034 BAPHETJVOXCVJB-KRWDZBQOSA-N 351.490 5.430 30 40 FKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 408624583 VDKJXVWJPZMYMW-VAWYXSNFSA-N 370.279 6.297 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(Cl)cc2O)o1 4739436 HDZKPUTZTWULLK-UFFVCSGVSA-N 355.777 5.063 30 40 FKEB C=CCn1c(SCc2ccccc2C)nnc1-c1cccc(Cl)c1 5478573 OARANTKISUBFDM-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 5696122 SBPLXFJNSSUYKH-QINSGFPZSA-N 364.857 5.701 30 40 FKEB aggregator Cc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 8811755 OWBHTEIGGWNXOH-MFKUBSTISA-N 364.876 5.351 30 40 FKEB N#CCc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 10363958 XTIWVESOUPWIAJ-UHFFFAOYSA-N 358.466 5.297 30 40 FKEB O=C(/C=C(\C=C\c1ccccc1)c1ccccc1)CC(=O)c1ccccc1 43077025 CIHNUILUZTVQRS-PNUIMDNNSA-N 352.433 5.626 30 40 FKEB CCCCCCCCCCCCCCOc1ccccc1C1=NCCN1 100934646 GZSACVNJJGMJCK-UHFFFAOYSA-N 358.570 6.116 30 40 FKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(F)cc2)cc1C 102947750 WKPXGBLTQSMRIJ-YYDJUVGSSA-N 358.416 5.050 30 40 FKEB C=CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C(F)(F)F 225957195 DFYVVKVUPWYFIW-UHFFFAOYSA-N 363.379 5.187 30 40 FKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2C)cc1 409101495 YNAAQNCVPFWABO-BUVRLJJBSA-N 365.860 6.590 30 40 FKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1F 409210794 LIIXKVGBFTVNKG-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc1OC 409375999 RXPGJLKBXABBPW-FEEMDCCFSA-N 373.924 6.790 30 40 FKEB N#Cc1ccc(Oc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 1305131 NEYKXRIZULFLQS-UHFFFAOYSA-N 357.800 5.614 30 40 FKEB Clc1ccc(CS/C(=N\c2ccccc2)Nc2ccccc2)cc1 1779601 RLKDBCPBCMUWJR-UHFFFAOYSA-N 352.890 6.373 30 40 FKEB CCCCCCCC[C@@]1(CCC)NC(=S)N(c2ccc(Cl)cc2)N1 2347576 YJCMVERGLHUEOU-IBGZPJMESA-N 367.990 5.786 30 40 FKEB CCN(CC)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2811106 VGVMVAWSJLOOCE-XIEYBQDHSA-N 358.485 5.862 30 40 FKEB Cc1ccc(/N=C/c2ccccc2Cl)cc1I 2937935 JHCDBIUNXLELSN-RQZCQDPDSA-N 355.606 5.004 30 40 FKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 2970194 GJIWEZZHNVFRSL-UHFFFAOYSA-N 364.514 5.172 30 40 FKEB C/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 4925498 XYEDXRQCXQOCPT-KEBDBYFISA-N 357.173 5.304 30 40 FKEB O=C1/C(=C/c2ccc(Cl)cc2)CSC/C1=C\c1ccc(Cl)cc1 17254526 NUUZUMOYGRIQFX-KAVGSWPWSA-N 361.293 5.776 30 40 FKEB c1ccc(/C(=N/N=C(\c2ccccc2)c2cccs2)c2cccs2)cc1 18066468 RYRZNIKWTXINJZ-MMUCEYJRSA-N 372.518 6.100 30 40 FKEB Clc1cccc(Cl)c1/C=N/c1ccc(CSc2ccccc2)cc1 20242222 VJEQWRASVIPUKO-YDZHTSKRSA-N 372.320 7.036 30 40 FKEB COC(=O)c1ccccc1O/C(=N\c1c(C)cccc1C)c1ccccc1 102940802 RAZWBFGVMIGARQ-GYHWCHFESA-N 359.425 5.247 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1c(C)cccc1C 105453491 SXGKFEUVJYUMPX-UHFFFAOYSA-N 360.542 5.279 30 40 FKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C#N)c1 225844847 IXAQAXMIZUQKDN-UHFFFAOYSA-N 374.525 5.153 30 40 FKEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCCCC5)c4)OCC[C@@]3(C2)[C@@H]1C 257344553 ZXTXFEIWFZIYPB-ODBMFVKLSA-N 367.533 5.058 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)cc1 408762842 MPQHHHKLGZFAKJ-OEAKJJBVSA-N 361.445 5.624 30 40 FKEB O=C(/C=C/Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl 409060538 UIVKCEXHROCMEL-AATRIKPKSA-N 361.055 6.109 30 40 FKEB Cc1ccsc1C(=O)N1CCCS/C1=N\c1ccccc1C(C)C 5975313 IMOHLJFLLVHDDH-VXPUYCOJSA-N 358.532 5.447 30 40 FKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccccc1 8084919 OGXZHSRYBAXLIU-KOEQRZSOSA-N 359.469 5.977 30 40 FKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 16348053 OGIWIQJMNAPDTC-XKZIYDEJSA-N 364.470 5.531 30 40 FKEB CC(C)[Si](C#CC[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 195759914 JFDDOGUVACDNTR-UHFFFAOYSA-N 352.755 7.887 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 408587177 RSUKEFHSDXHZHH-UHFFFAOYSA-N 353.506 6.295 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 408739443 WFVZDZOFKVENPK-OVVQPSECSA-N 364.492 6.820 30 40 FKEB CC[C@H](C)n1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 408930887 DJSCXBAMASNNAL-MRSJDWDVSA-N 361.489 5.200 30 40 FKEB FC(F)(F)C(F)(CCOc1ccccc1Br)C(F)(F)F 1083811124 YYNFHXZPUYINCO-UHFFFAOYSA-N 369.074 5.051 30 40 FKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H]1C[C@H]1c1ccccc1 1775976395 LVTUTQOQOSRUTD-NQIIRXRSSA-N 365.436 5.582 30 40 FKEB N#Cc1cc(-c2ccccc2)oc1NC(=O)c1cccc(Cl)c1Cl 1389876 RBYMFSUVORKYLT-UHFFFAOYSA-N 357.196 5.377 30 40 FKEB C/C(=N/Nc1ccccc1Br)c1ccc2ccccc2c1O 4582006 DCPPHZYKXUFSGG-NDENLUEZSA-N 355.235 5.144 30 40 FKEB C=CCOc1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21 4975170 ZFIQRFCKNBMEDW-MNVSYLFESA-N 372.295 6.385 30 40 FKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccccc4)C(=O)[C@]3(C)CC[C@@H]21 36614416 NNZFUMSSDBUFQN-PIOUPAOHSA-N 372.508 5.814 30 40 FKEB Cc1nc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(-c2ccccc2)s1 95467977 ZVLWKIZDAMMUBJ-QGZVFWFLSA-N 369.449 5.157 30 40 FKEB C(=N\c1ccc(-c2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 100058306 QUDPDXGSAOZKNW-RIRMOVKSSA-N 360.460 6.855 30 40 FKEB CCCCCCCCCCCCCC/C(C(=O)OC)=C(\O)C(=O)OCC 104283997 MOYBFVUONLWFKB-VHEBQXMUSA-N 370.530 5.626 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C#N)[C@@]4(C)CC[C@@H]32)C1 118925811 HFAXZVGIGZBGQV-CLKBNRRFSA-N 369.549 5.657 30 40 FKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccccn1 409241506 XYIUXPKEAOFARF-MTJSOVHGSA-N 354.251 5.002 30 40 FKEB COc1cccc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O 864835 LXBJRLICKMWZMG-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB biogenic N#Cc1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 1514779 CWIMZXWWBDYXNE-UHFFFAOYSA-N 374.465 5.543 30 40 FKEB Cc1scc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C#N)c1C 2770387 NGENLHVTPPZVQV-UHFFFAOYSA-N 352.484 5.526 30 40 FKEB O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2o1)c1ccccc1 4372343 WGPMOPILZHOZEL-JXAWBTAJSA-N 359.812 5.905 30 40 FKEB Cc1cc(/C=N\c2cccc3cnccc23)c(C)n1-c1ccc(Cl)cc1 13633464 KJDRVXMAWOKJAQ-QFEZKATASA-N 359.860 6.046 30 40 FKEB CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)cc1 19832450 CMUABTUCKXTAHB-UHFFFAOYSA-N 357.457 5.221 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1 100212153 AAKJBYNTHFXUJG-ZVHZXABRSA-N 364.420 5.161 30 40 FKEB C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 100742957 LSDIZJMRQYWWOD-NTMALXAHSA-N 351.189 5.100 30 40 FKEB COc1ccc2c(c1)-c1nc(/N=C/c3cccc4ccccc34)sc1CC2 408722418 INOFBRFNMLHRKL-ZVHZXABRSA-N 370.477 5.821 30 40 FKEB Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 2633143 JTVOGWBHOJRLRS-GHRIWEEISA-N 373.408 5.684 30 40 FKEB CCc1cc2c(cc1-c1csc(C/C(N)=N/O)n1)C(C)(C)CCC2(C)C 4322476 ZEWUOGQSSFCHAI-UHFFFAOYSA-N 371.550 5.010 30 40 FKEB CC(C)Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 5284672 NGZYUPQBJJLDTI-DEOSSOPVSA-N 374.528 6.107 30 40 FKEB Oc1c(Cl)cc(Cl)c(/C=N/Nc2nc3ccccc3s2)c1Cl 6244198 NAGAOXVNTNCKSH-NGYBGAFCSA-N 372.664 5.408 30 40 FKEB Cc1nc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)sc1C 16696180 JSOPRHBBPHDOMF-SRZZPIQSSA-N 371.893 5.438 30 40 FKEB Brc1cccc(/C=N\Nc2nc(-c3ccccc3)cs2)c1 31854352 XZFVMCIFBSIIIC-ZDLGFXPLSA-N 358.264 5.019 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@H]32)C1 86861127 MZWRIOUCMXPLKV-DTUPPYTHSA-N 356.506 5.006 30 40 FKEB biogenic CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(C)ccc1C 98001452 WCIZDXMSSHOVLV-UHFFFAOYSA-N 360.542 5.279 30 40 FKEB CC1(C)C[C@H]([C@@H](CC/N=C/c2ccccc2)c2ccc(F)cc2)CCO1 100098654 WDBMCHUCIZNYQQ-URQYPFBASA-N 353.481 5.624 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccccc2F)c(OC)c1 102562036 BNFUPXDKWQHYIU-UHFFFAOYSA-N 373.512 5.863 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(Cl)cc1 409199916 FRUBEKOXSZDXCK-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1 409220614 CFPBCFQLRPSUAA-OEAKJJBVSA-N 351.902 6.859 30 40 FKEB CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4082626 RACRSWIMRBVETP-IGJOJHROSA-N 370.533 5.396 30 40 FKEB biogenic O=C1/C(=C/c2ccco2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 5164825 OHBILVVUIUWVGK-GRSHGNNSSA-N 370.763 5.267 30 40 FKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2cccc3ccccc23)S1 5551504 NVIDJRPITJRAHF-XSFVSMFZSA-N 374.465 5.130 30 40 FKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 6276556 ZZEIYNNRXVGGQY-FPLPWBNLSA-N 360.162 5.821 30 40 FKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1 8367971 SIBNKBATULWACW-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CC1(C)[C@@H]2CC[C@]1(C)[C@@](C#Cc1ccccc1)(OC(=O)c1ccccc1)C2 100131958 XDDNUZKIVVPKLM-ZODMCCGTSA-N 358.481 5.480 30 40 FKEB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225855351 MRDFUYCKUFRYGT-HYFFOGBASA-N 372.509 5.050 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1cccc(Cl)c1 408759315 CCDDCZYSERROCC-JJFYIABZSA-N 359.256 5.857 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 409060193 YGFGYWNFPAOWEL-UFFVCSGVSA-N 363.273 5.348 30 40 FKEB C[C@](C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 1647927 FUWLTBFRTDYGSY-DEOSSOPVSA-N 370.452 5.169 30 40 FKEB N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 4712332 VTPRHIOEXZRCJP-HAHDFKILSA-N 373.268 5.457 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccccc1 4797816 PVHKFVGVEBIUKF-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB CN(C)CCC(/C=C/c1ccccc1)=N\Nc1ccc(Cl)cc1Cl 5888825 JMKLZKURDRCDFN-ABRFMWCMSA-N 362.304 5.426 30 40 FKEB Oc1ccccc1/C=N/c1oc2ccccc2c1/N=C/c1ccccc1O 6569121 WBJRRXSNHBYISQ-RNIAWFEPSA-N 356.381 5.345 30 40 FKEB N#Cc1cc(Sc2ccc(Cl)cc2)c(N2CCCCC2)cc1C#N 7380251 HVQZFNHZRBQCTE-UHFFFAOYSA-N 353.878 5.225 30 40 FKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 12363627 RZBSNOXBLAOZQA-ZVHZXABRSA-N 370.412 5.301 30 40 FKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1Cl 16123909 MXALKBADWPNLKQ-FPYGCLRLSA-N 356.046 5.652 30 40 FKEB C=CCNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 39841540 NPKMNNLQERMGAI-UHFFFAOYSA-N 365.820 5.044 30 40 FKEB COc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1OC(C)C 409018396 HFQOGBPVUAYPDM-LFVJCYFKSA-N 360.457 5.977 30 40 FKEB Cc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1Cl 409018620 XITYFIMHJOJSMZ-CIAFOILYSA-N 373.681 5.952 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(Br)cc1 3154513 AVXVOGAGUBHGTR-UHFFFAOYSA-N 354.332 6.309 30 40 FKEB O=C1C(O)=C(CCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 4353330 AWYKAOYJOQIVKI-YESZJQIVSA-N 352.474 5.655 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 8570876 JPMDXBJDEHPXOU-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)O 8689973 CHQZBIVWDKADIA-GDWUOILNSA-N 353.547 5.613 30 40 FKEB in-vitro CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCCc3ccccc32)n1 19820653 BPJDRWASYBXEKH-UHFFFAOYSA-N 372.497 5.130 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)Nc3cccc4ccccc34)c2C#N)C1 28579356 KCMYZZZGBFAWIZ-ZDUSSCGKSA-N 361.470 5.542 30 40 FKEB CCCCCCCn1/c(=N/C(=O)c2ccc(Cl)cc2)[nH]c2ccccc21 50860290 CEZWRTNKQZULNL-UHFFFAOYSA-N 369.896 5.334 30 40 FKEB CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O 95670575 WMUFHDYXFASDAE-UHFFFAOYSA-N 356.547 6.423 30 40 FKEB CCCCCCCOc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 100294486 CBUCLRKEIHMHCJ-UHFFFAOYSA-N 354.446 5.192 30 40 FKEB CCOc1cccc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O 102419334 SFABAYCRZUEPHG-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2)c1C 144763975 ABLMFQUZSRZFBZ-MFKUBSTISA-N 374.484 5.502 30 40 FKEB C=CCOC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccccc12 226360636 NCVVUUNAZLCCKD-UHFFFAOYSA-N 365.432 5.496 30 40 FKEB CCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 408915136 PEJLEFWDCQGQIE-PVTBXJRFSA-N 370.905 5.662 30 40 FKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1cccc2ccccc12 409176318 KFXQXXHGWUSQMD-ISLYRVAYSA-N 365.432 6.441 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc(F)cc3)C2=C(O)C1 1547211006 AZKGXCNXZUQLOZ-LJQANCHMSA-N 373.427 5.604 30 40 FKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 2186773 CKZDRAIDIGDKHT-FXBPSFAMSA-N 363.457 5.380 30 40 FKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccccc4[N+](=O)[O-])cc3)nc12 3115333 PGOOJCDTFXCHLF-LPYMAVHISA-N 357.369 5.462 30 40 FKEB Cc1ccc(C(C)C)cc1NC1=C(Cl)C(=O)C[C@H](c2ccccc2)C1 5363856 IJNXKRWAEIBZLR-GOSISDBHSA-N 353.893 6.127 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccccc1Cl 8278100 WAIFIRFVGGHDIU-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CCCCOc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 12562354 SOGGENBSVUBRLS-AUEPDCJTSA-N 371.790 5.379 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2C(F)(F)F)cc1 44843192 AGOQHRBOUHQPNR-OUKQBFOZSA-N 363.379 5.693 30 40 FKEB C=CCN(Cc1cccs1)C(=O)c1ccc(Sc2ccccn2)cc1 58139745 LMKFVJJHENXKTM-UHFFFAOYSA-N 366.511 5.123 30 40 FKEB N#CC1(C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)CCCC1 84414770 KYBVEJDZBNXLKH-UHFFFAOYSA-N 374.419 5.140 30 40 FKEB CC(C)(C)c1ccc(Cn2c(/N=C/c3cccs3)nc3ccccc32)cc1 102296935 BXYAZHSYKXAJGP-BUVRLJJBSA-N 373.525 6.194 30 40 FKEB CC(C)N1c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[C@@H](C)CC1(C)C 223551069 DBCWUMBZCCFBAK-INIZCTEOSA-N 373.496 5.650 30 40 FKEB Clc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408844553 DPISZPVAOKCPHK-ZDLGFXPLSA-N 353.647 5.046 30 40 FKEB Cc1cc(C)c2nc(/N=C/c3cc(Cl)cc(Cl)c3O)sc2c1 3044447 SMRVJWDCCHZTAP-FBCYGCLPSA-N 351.258 5.676 30 40 FKEB CCCCCCCC[n+]1c(C)n(Cc2ccccc2)c2ccc(Cl)cc21 3204257 TYUBBSIEVNWPOY-UHFFFAOYSA-N 369.960 6.299 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(-c2cccs2)s1 4321542 PSMJBVQYDIXLEN-GQCTYLIASA-N 365.306 6.680 30 40 FKEB O=C1C(O)=C(CCCC[C@H]2CC[C@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 4552438 NCHVXENYWKKANN-RCCFBDPRSA-N 366.501 6.045 30 40 FKEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1 5504650 HBWKORMQIHZWDO-KEBDBYFISA-N 357.173 5.304 30 40 FKEB COc1ccc(N/C(=N/c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 5588090 RTFHHOYBXIXBCA-UHFFFAOYSA-N 361.401 5.102 30 40 FKEB CC/N=c1\scc(-c2ccccc2)n1N=C1CCC(C(C)(C)C)CC1 15912376 HZUQWZPMJJTURQ-KFIRBFFCSA-N 355.551 5.578 30 40 FKEB OC1=NC(=N/c2ccccc2)/C(=C/c2cccc(Br)c2)S1 18169815 PUUOOMZOLUOVPI-UVTDQMKNSA-N 359.248 5.181 30 40 FKEB N#Cc1c(Cl)nsc1NCc1ccc(-c2nc3ccccc3s2)o1 84603807 MKDYGZGAEIIUMO-UHFFFAOYSA-N 372.862 5.150 30 40 FKEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O 208306936 WHYBZJKIMWQZPA-IIMQCXAKSA-N 370.518 5.021 30 40 FKEB O=C(O)c1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1Cl 408850440 NSXPTQJZAAAIKF-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB O=C(O)c1cccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)c1 409100934 VZFMRNRWFVDEQJ-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)c1 1020933 YWODBHQFYPBZHF-FSJBWODESA-N 366.251 6.287 30 40 FKEB COc1cc(/C=C/C(=O)c2c(C)c(C)c(C)c(C)c2C)cc(OC)c1OC 4277430 CEPCRJJULVOLEM-MDZDMXLPSA-N 368.473 5.151 30 40 FKEB Clc1cccc(/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)c1 4979825 VVIUQXBKLXMHHV-LFVJCYFKSA-N 359.860 5.705 30 40 FKEB C=CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 6855836 JTFXXELAJDADTH-UHFFFAOYSA-N 372.295 6.001 30 40 FKEB N#CCCn1cc(/C=C/c2ccc3ccccc3n2)c(-c2ccccc2)n1 7586815 QIAWYOKILDVXEK-WYMLVPIESA-N 350.425 5.182 30 40 FKEB O=[N+]([O-])C(=N\Nc1ccc2ccccc2c1)/N=N/c1ccc2ccccc2c1 18191787 IQBINNRCPKWRDH-WQQFVFIJSA-N 369.384 5.737 30 40 FKEB CC[C@@H](C)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820347 RNCYQLHZDQRSRY-CYBMUJFWSA-N 354.523 5.245 30 40 FKEB N#CC1(C#N)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 19923670 WHKQZNQVYSYXJO-ISJGIBHGSA-N 373.459 5.381 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(C)cc3)o2)CC1 27562565 KMPDLLQUUIQHHE-BUVRLJJBSA-N 364.493 5.765 30 40 FKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(Br)cc1Cl 32194175 WIUVEEBDFWVGGG-FMIVXFBMSA-N 364.670 5.610 30 40 FKEB CCCN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(OCC)cc1 100259750 WADUCSRXLRLQIH-CAUPHXMNSA-N 372.515 5.161 30 40 FKEB CCCCCCCCCC(=O)O[C@@H](C)C(=O)N(CCCC)CCCC 104180550 CIDZTQVVVZZVCQ-IBGZPJMESA-N 355.563 5.488 30 40 FKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 408759493 FZWYPWPMRXEZQJ-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4cccs4)cc3)[C@H]2C1 408936919 LHYUYWDPUVPCNO-QLJSOMRTSA-N 356.494 6.325 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2C)c1C 408967938 SVTASTYUFLFVKY-MFKUBSTISA-N 374.484 5.502 30 40 FKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccccc1 409109252 ALWTZGKDIDAQHE-UHFFFAOYSA-N 359.469 5.615 30 40 FKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2cccc(F)c2)c1 409209326 FTFGJVIUIFIBMW-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB N#Cc1c(/N=C/c2c[nH]c3ccccc23)oc(-c2ccco2)c1-c1ccco1 409386888 OJPLOFKMAWRNPG-DHRITJCHSA-N 367.364 5.903 30 40 FKEB CCCCCCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 2028344 BAVUBIDCTYEJAN-LVZFUZTISA-N 364.485 6.085 30 40 FKEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1cccc(Cl)c1 2642977 WGYZVHIRHYORMH-OAHLLOKOSA-N 361.828 5.529 30 40 FKEB CCc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1 5551629 QNTBYLSMOKSEOM-MOSHPQCFSA-N 358.466 5.294 30 40 FKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 6276975 FMBUPDYHSNOPBM-PFONDFGASA-N 367.370 6.181 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1O 6958599 IENBNKCDUCYJLX-DJKKODMXSA-N 368.658 5.266 30 40 FKEB C(=N/N(c1ccccc1)c1ccccc1)\C(c1ccccc1)c1ccccc1 8637444 QAWQNQLKQKULMZ-SZXQPVLSSA-N 362.476 6.643 30 40 FKEB Clc1ccc(CO/N=C2\c3ccccc3-c3ncccc32)c(Cl)c1 8642633 NZLRNTPMDQEBIK-FCDQGJHFSA-N 355.224 5.338 30 40 FKEB O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(Cl)cc1 55120941 AKQPMFXBYIHSPS-OUKQBFOZSA-N 363.888 5.532 30 40 FKEB CCCCCCCCCCCC[n+]1ccc(CCCCCCCCC)cc1 104036149 ZQGOLEBFQSJAGE-UHFFFAOYSA-N 374.677 8.188 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cccc3ccccc23)o1 408960767 ISCQNACWHOYXMJ-ZVHZXABRSA-N 355.393 5.857 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N2c3ccc(F)cc3CC[C@H]2C)c1 786395 SCEACEICGUBEFZ-MRXNPFEDSA-N 366.480 5.645 30 40 FKEB C(=N\c1ccc2c3c(cccc13)CC2)\c1ccc(OCc2ccccc2)cc1 3117116 CZBSKSIEWSCAKU-PKAZHMFMSA-N 363.460 6.268 30 40 FKEB CCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc(Cl)cc1 4600155 GNZMAGLTIUSHKE-NBVRZTHBSA-N 369.848 5.254 30 40 FKEB N#CCCSc1nc(-c2ccc(Br)cc2)nc2ccccc12 4801600 BCFLDSGBKVOPLR-UHFFFAOYSA-N 370.275 5.065 30 40 FKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cc(Cl)ccc1C 32138873 JXEJECPYBKJHOF-FMIVXFBMSA-N 364.670 5.610 30 40 FKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 33957404 UVQJZCDBSITYNI-IWRWQNCASA-N 372.512 5.723 30 40 FKEB CC(C)CN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 409076968 CTQZTOJQKSMUIQ-CFDZAGTRSA-N 370.905 5.600 30 40 FKEB Clc1ccc(Sc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 409101532 YBJWUWBGOYFJQW-XKZIYDEJSA-N 358.293 6.895 30 40 FKEB Cc1cc(O)cc(O)c1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 3113119 AQQNJNNSIXGNKZ-FOKLQQMPSA-N 362.360 5.104 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5195932 YSSDNQGFZZVEEJ-NVMNQCDNSA-N 371.230 5.020 30 40 FKEB O=C(/C=C/c1ccco1)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 5214389 WCLPKNMFJDKVPV-CDJQDVQCSA-N 358.315 5.854 30 40 FKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)/C=C\c1ccc(Cl)c(Cl)c1 17023318 PEIXSRCYWCYQCA-IOBHVTPZSA-N 372.078 6.596 30 40 FKEB Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 20715211 FIHZTGJVKQVMSS-JLTOFOAXSA-N 362.454 5.003 30 40 FKEB CC(C)(C)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 25390464 XZPFUIMJGVMFGP-JFNQZVQLSA-N 368.480 5.690 30 40 FKEB CCCCC[C@@H](F)/C=C/[C@H]1CC/C(=N/O)[C@@H]1CCCCCCC(=O)O 36493709 LQQORSBLZLAVKX-HMXATDFOSA-N 355.494 5.743 30 40 FKEB CCCC/N=C1\S/C(=C\c2c[nH]c3ccccc23)C(=O)N1CCCC 38180511 CUERQTGMTHGMIL-PQDITWEDSA-N 355.507 5.040 30 40 FKEB COc1ccc(C2=C(Nc3cc(C)ccc3OC)c3ccccc3C2=O)cc1 101093894 XMMZOLQOMOAFAG-UHFFFAOYSA-N 371.436 5.189 30 40 FKEB Clc1ccccc1[C@H](C/N=C\c1ccncc1)c1c[nH]c2ccccc12 104726757 BOSDQPDSTGFAPD-YCCHBACSSA-N 359.860 5.467 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1 408587108 QGVVKGFUQZEHRW-UHFFFAOYSA-N 359.897 6.332 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 408738889 PRELRYCRXIMMLI-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB Cc1ccc(/N=C/c2ccc(Br)cc2)cc1Br 779821 HHQGATULSNFLHT-RQZCQDPDSA-N 353.057 5.271 30 40 FKEB COc1ccc2nc(-c3ccccc3)cc(C(=O)/C=C\c3ccccc3)c2c1 5030169 MDRMHMMMACKXIB-QINSGFPZSA-N 365.432 5.807 30 40 FKEB COc1cc(/C=N\Nc2ccccc2Cl)ccc1OCc1ccccc1 36622904 WXVIBXDYJOJGDQ-UCQKPKSFSA-N 366.848 5.374 30 40 FKEB C(=N/Nc1ccccc1)\c1ccccc1OCc1cccc2ccccc12 58822691 HOXPBPRSGRLNBM-KOEQRZSOSA-N 352.437 5.865 30 40 FKEB CCCCCCCCCCCCCCCCN(O)C(=O)c1c[nH]cn1 104200146 HOUPZIOKQPMPBW-UHFFFAOYSA-N 351.535 5.722 30 40 FKEB Brc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1 1029999 QFZHXLIDDYULQF-UDWIEESQSA-N 366.218 5.107 30 40 FKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 1518249 QIKXROJFNRTGHT-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 6889916 KDWFMJYUCODBGK-NTCAYCPXSA-N 359.381 5.070 30 40 FKEB Cc1ccc2oc(-c3ccc(C)c(/N=C\c4ccc([N+](=O)[O-])o4)c3)nc2c1 17118680 FNLPZFUAXCCIJY-NHDPSOOVSA-N 361.357 5.363 30 40 FKEB O=C(O/C(=N/c1ccccc1)c1nccc2ccccc12)c1ccccc1 17285483 VEWWOBCZAALYKW-YYDJUVGSSA-N 352.393 5.170 30 40 FKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(/N=N\c2ccccc2)cc1 100237729 PLHRSFVRMDPWFE-FACPRWHCSA-N 355.441 6.609 30 40 FKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@H]12 253499643 BXEKJWVUCNPPSL-VRKSNFOLSA-N 362.557 6.682 30 40 FKEB biogenic Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)c1C 409216860 PAVCBYJPPRXNOU-DHRITJCHSA-N 367.851 6.426 30 40 FKEB C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@H](C)C(=O)c1ccccc1 4843936 BCFFUTDQTAOCOQ-WMZHIEFXSA-N 354.449 5.728 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1 8277833 QQUQSMOKKCOASL-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1cc(Cl)cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 8336089 NXWOONOABJZBPZ-WAOWUJCRSA-N 350.849 5.377 30 40 FKEB C/C(=N\OC(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1 12350532 LHZIYWLWDILKIM-UUKFQKTPSA-N 366.219 5.469 30 40 FKEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(-c2ccccc2)cc1 65090458 BDVMMIHPPMTFPS-UHFFFAOYSA-O 369.513 6.299 30 40 FKEB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)c(C#N)c1 225852853 IJHFYAHOUGIGAR-UHFFFAOYSA-N 372.509 5.195 30 40 FKEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@@H]1CC/C(C)=C/C(=O)O 238758393 ULWOIBVJYLRVQJ-RDTJIEFLSA-N 362.510 5.140 30 40 FKEB biogenic,in-vitro O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(F)cc1 408750266 YXABCBRNNUVPEF-VGOFMYFVSA-N 367.232 5.024 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)c(N2CCCC2)o1 408856816 LJFJVYZWEURVDT-VXLYETTFSA-N 367.674 5.355 30 40 FKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(OCC)cc1 409121267 YUEBIFDUBHVZGD-UHFFFAOYSA-N 352.261 5.569 30 40 FKEB CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 833875 FUXSVTREVQVZDE-VWLOTQADSA-N 368.480 5.579 30 40 FKEB N#C[C@H]1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1 1752306 HDBNACUXCQVKEU-QFIPXVFZSA-N 351.409 5.496 30 40 FKEB CCCCCCCCC(=O)Oc1ccc2c(C)c(CCC)c(=O)oc2c1 1826812 CHEINBKJYRQAQU-UHFFFAOYSA-N 358.478 5.710 30 40 FKEB Cc1cccc(N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 4461639 XIRMVLZDSOZSRU-OEAKJJBVSA-N 364.832 5.314 30 40 FKEB CN(/N=C/c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 4812008 HXSXGQJUAJQSHQ-YBFXNURJSA-N 372.291 5.043 30 40 FKEB Cc1ccc(N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1Cl 4934827 SQZBLNADEDKQOU-SRZZPIQSSA-N 359.260 5.242 30 40 FKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc2c(c1)OCO2 6506067 PPCLQGGTHUZRGS-AFUMVMLFSA-N 359.469 5.634 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 8116626 HWPXBRJKTHRXJN-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB [N-]=[N+]=Nc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 15022645 AYNDYYNSTUVHQO-UHFFFAOYSA-N 357.369 5.335 30 40 FKEB O=C(/C=C(/Nc1ccccc1)c1ccc(Br)cc1)C(F)(F)F 103833809 UUPDDGVCWUYWDV-GXDHUFHOSA-N 370.168 5.034 30 40 FKEB COC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 408740063 ICWUEGZYMGQHEU-OYKKKHCWSA-N 360.457 5.248 30 40 FKEB CC(C)OC(=O)COc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1 409186581 FALJELVUNXPWTE-FBHDLOMBSA-N 366.244 5.074 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(OCC)cc1 584905948 DBVYNMDHRAKEEU-UHFFFAOYSA-N 370.905 5.687 30 40 FKEB O/N=C1\CCC=CCCC=CCC[C@@H]1Sc1nc2ccccc2s1 1559624550 IBUGLWPXDXTUKZ-CTVIWJQHSA-N 358.532 6.054 30 40 FKEB C=CCn1c2ccc(Br)cc2c2cc(Br)ccc21 626081 HLCBJLLDKKYYFP-UHFFFAOYSA-N 365.068 5.506 30 40 FKEB C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)[N+]1(C)CCCCCCC1 1593502 XEWZFOOGJGNMKD-QFIPXVFZSA-N 361.553 5.686 30 40 FKEB CCCCCCCCc1nnc(NC(=O)c2cccc3ccccc23)s1 2333439 GHPJIWIGZVUVEI-UHFFFAOYSA-N 367.518 5.847 30 40 FKEB CCCCC[C@H](/C=N/Nc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 5783350 BITMRBQVPNOJGA-MIDUAYCOSA-N 370.337 5.137 30 40 FKEB N#Cc1c(Cl)nc(NC2CCCCC2)c2c1CCN(C1CCCCC1)C2 13738994 CJSLXKZWAVSNSS-UHFFFAOYSA-N 372.944 5.042 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 102561734 NIBZERMIGIITLD-UHFFFAOYSA-N 369.549 6.033 30 40 FKEB CC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530218 OJISKQKRAYLYPP-ONEGZZNKSA-N 374.140 5.691 30 40 FKEB CCCCCCCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 104249282 VPYDYEUDCPVQKF-HXUWFJFHSA-N 353.462 5.887 30 40 FKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Cl)c1 408764324 RCGGAAYEOIQQLE-MYYYXRDXSA-N 364.920 6.796 30 40 FKEB Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C 408773990 UTSJVHAUSXRBHE-FYJGNVAPSA-N 365.458 5.452 30 40 FKEB Cc1ccc(-c2cc(/N=C/c3ccccc3O)n(-c3ccccc3)n2)cc1 1091315 ABNXNGYIVXZDEG-LFVJCYFKSA-N 353.425 5.304 30 40 FKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccco2)sc2c1CCCC2 16489717 BATSLUBIDMWZSJ-BKUYFWCQSA-N 350.443 5.223 30 40 FKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 20797127 YELVRXVMAKSKGQ-JOCHJYFZSA-N 353.425 5.067 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CCCO1 100282706 CDSRQMNVFUNOOJ-JOCHJYFZSA-N 367.618 6.543 30 40 FKEB CCCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C 103641290 OGLNTVZUARMGNY-HXUWFJFHSA-N 355.563 5.693 30 40 FKEB CCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 148721850 UJBMLXPZRNDSFN-KHPPLWFESA-N 372.315 7.152 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)cc3)c2C)cc1 408744476 YBNFBYIREJEPHB-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CCCC4)c2C)c1 409064194 OHPIGUBIOWZDAS-QFEZKATASA-N 373.525 5.965 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 409150680 DLVCKHNISXTRPI-HLIPFELVSA-N 370.374 5.434 30 40 FKEB N#C[C@H](OC(O[C@@H](C#N)c1ccccc1)c1ccccc1)c1ccccc1 1759528 SOKMZRPGTCRBON-VXKWHMMOSA-N 354.409 5.248 30 40 FKEB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)sc2c1 3330169 JJXJJWLPYMWEBH-UHFFFAOYSA-N 369.449 5.396 30 40 FKEB C=C1Cc2[nH]c3ccccc3c2C(C)(C)[C@]12C(OCC)=Nc1ccccc12 4046520 YLEIUSMPLLXION-XMMPIXPASA-N 356.469 5.576 30 40 FKEB biogenic C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4ccccc4)cc3)[C@@H]2C1 59471631 FBXJFKVVERRITM-ZPJNHBMASA-N 350.465 6.264 30 40 FKEB CC(=O)c1ccc(/N=C2/c3ccccc3CN2c2ccc(C(C)=O)cc2)cc1 104218325 BITDAUFPEKDVLP-IZHYLOQSSA-N 368.436 5.190 30 40 FKEB CCn1c(N/N=C/c2c(OC(C)C)ccc3ccccc23)nc2ccccc21 408692796 VQEAFWMNJDREDH-BUVRLJJBSA-N 372.472 5.443 30 40 FKEB Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408937197 NBMGNSDRYYUKIA-PCVHLMMSSA-N 364.492 6.572 30 40 FKEB C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 996652 BDPFGUNBMHKDFF-UHFFFAOYSA-N 368.889 5.431 30 40 FKEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl 4554801 QVIMKZAILLHGNQ-NSHDSACASA-N 374.893 5.049 30 40 FKEB Clc1cc(Cl)c(N/N=C/c2cccc3nccnc23)c(Cl)c1 5484602 OSMWFLRBMXDBKG-ODCIPOBUSA-N 351.624 5.036 30 40 FKEB Clc1cc(Cl)cc(/N=C\c2ccccc2OCc2ccccc2)c1 11565605 XGCGMNRUDPGBDS-QRVIBDJDSA-N 356.252 6.323 30 40 FKEB C=CCn1c(SCc2cccc(C)c2)nnc1[C@H](C)Oc1ccccc1 13850296 KVGNDIWYRVMBLE-KRWDZBQOSA-N 365.502 5.205 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2cc(C(F)(F)F)ccc2Cl)cc1 51318913 BTMYJQUBBGFIGM-MDZDMXLPSA-N 369.770 5.566 30 40 FKEB Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461324 WPVIGIZNUAJBKB-XKOORFEASA-N 356.834 5.530 30 40 FKEB COc1ccc([C@@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 83938049 QYBGADTXAJOJLJ-INIZCTEOSA-N 373.840 5.017 30 40 FKEB O=[N+]([O-])c1ccc(/C=N\c2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 100035852 NFIJRJJFEMDZJR-JZTLMNBPSA-N 374.356 5.004 30 40 FKEB CCCCCCCCC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103611601 IUEBGTPEQHNPFM-NBVRZTHBSA-N 350.419 5.432 30 40 FKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 106509734 FVMRBYWVQMVSNJ-PCLIKHOPSA-N 360.501 6.151 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1 225761995 SVWGHSOJRFDPTN-HXUWFJFHSA-N 354.519 5.244 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967917 SUJRVILGNWKSLR-MYYYXRDXSA-N 364.920 6.796 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)c(C)c1 409214079 XTHYVYOTNIDKDN-OYKKKHCWSA-N 359.425 5.331 30 40 FKEB C#CCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2274058 FPOPDKBSTACLEH-UHFFFAOYSA-N 350.421 5.423 30 40 FKEB Cc1ccc(COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 3260149 XRDBPBUNKYNVJB-UHFFFAOYSA-N 359.450 5.375 30 40 FKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1 6210408 HADXUXBNZKSNCN-WSDLNYQXSA-N 363.852 5.070 30 40 FKEB CN(Cc1cccc(C#N)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 32796576 PJNSAWDXUIBOQW-JOCHJYFZSA-N 372.493 5.050 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccccc2)c(OCC)c1 102562018 HGKLKOLTONHEIS-UHFFFAOYSA-N 369.549 6.114 30 40 FKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)NCCOCC 104109864 NJMMTCPRUPAXQO-LEWJYISDSA-N 369.590 5.388 30 40 FKEB COc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl 408761774 BKMMWIFDVYIBKH-YDZHTSKRSA-N 352.865 5.815 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1 408782406 HVKFBPCFLWYMDG-KSEXSDGBSA-N 361.247 6.291 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2cccc(C)c2C)cc1OCC 409120415 UGQOAUIZBKDMPJ-UHFFFAOYSA-N 351.490 5.608 30 40 FKEB Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2ccc(F)cc2)cc1 1383045 OMPBERQXFRSSCK-UHFFFAOYSA-N 362.429 5.409 30 40 FKEB CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OC 6957976 GKSRMVPOIIYNJX-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB COc1cccc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)c1 8990418 IXCUFTXUJATFGV-LGMDPLHJSA-N 361.422 5.321 30 40 FKEB C/C(=N/Nc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 33366126 YQUJOCXTRSSULP-JLPGSUDCSA-N 373.481 5.711 30 40 FKEB C=CCc1cc(/C=N/c2ccc(N(CC)CC)cc2)cc(OCC)c1O 59303417 AAVGFQXDXSVPIH-XQNSMLJCSA-N 352.478 5.116 30 40 FKEB C=CCc1cccc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)oc12 95471137 ZRBBKSVCVUPRLQ-UHFFFAOYSA-N 374.223 5.081 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 408752572 BUHJIBBVWFMRAU-UCQKPKSFSA-N 361.445 5.624 30 40 FKEB Cc1ccc(-n2nc(C)c(/C=C3\Sc4ccccc4C3=O)c2C)cc1C 408994526 GLNYPGWNEVLQEW-MTJSOVHGSA-N 360.482 5.435 30 40 FKEB FC(F)(F)c1cccc(CO/N=C2\CCCc3c2[nH]c2ccccc32)c1 1402268 QPTNKAUXEHIHCV-XIEYBQDHSA-N 358.363 5.444 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 3127107 MHANJYLLODFOOX-GZIVZEMBSA-N 361.722 5.075 30 40 FKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)N=C2O)cc1 6262058 IXTXXTYRWJCVDJ-ATVHPVEESA-N 354.406 5.122 30 40 FKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1F 8368090 LVDUKOLSIJWBAH-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 8570875 ICPHPXYZWXXZFU-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C/C(=N\OC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1 12350505 LHZIYWLWDILKIM-PLGYBIJDSA-N 366.219 5.469 30 40 FKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/N1[C@@H](C)CCC[C@H]1C 18024680 QITSIAKIBCHYGU-HVBYNEBOSA-N 365.308 5.084 30 40 FKEB CCOc1ccc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)cc1 35647997 MBJQCVRMLRNCOX-XSFVSMFZSA-N 374.465 5.130 30 40 FKEB CC(C)=NNc1nc2c(C)cc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302966 ZJOUHVLXFPBUHR-UHFFFAOYSA-N 353.535 5.880 30 40 FKEB CCOc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408738112 OMMLUFPRNOSVEG-OEAKJJBVSA-N 352.865 5.897 30 40 FKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@@H](C)c1ccccc1 1467952 UVCVEIOABNMPJB-KRWDZBQOSA-N 366.468 5.569 30 40 FKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(Cl)c(Cl)c1 3115456 HXHQGCHNNAPSCU-KPSZGOFPSA-N 373.623 5.628 30 40 FKEB CCCc1ccc(-c2nc(NC(=O)c3cccc(C#N)c3)sc2C)cc1 3354202 MUWPSMSIJJUUIF-UHFFFAOYSA-N 361.470 5.195 30 40 FKEB C(=N/Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)\c1ccccc1 5734715 KXNUBVXXLTXHGU-HZHRSRAPSA-N 355.466 5.923 30 40 FKEB Cc1cc(SCc2ccccc2Cl)n2c(nc3ccccc32)c1C#N 12648593 UGLPDGVYCJDROI-UHFFFAOYSA-N 363.873 5.613 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=C5/C=CC(=O)S5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118927700 JWXSORBJXRIMRM-HZBIVAPLSA-N 370.558 5.394 30 40 FKEB Clc1ccccc1/N=C\c1cc(Br)c(Br)o1 408951083 HVKVDTJSTIWWNX-UUASQNMZSA-N 363.436 5.209 30 40 FKEB Clc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1231164 IEQAFQSBIJLYMG-OEAKJJBVSA-N 359.816 5.808 30 40 FKEB COc1ccc([C@H]2C[C@@H]2/C(C)=N/OCc2c(Cl)cccc2Cl)cc1 5382280 JIMACHJGDFRGCV-VQVNBVQASA-N 364.272 5.698 30 40 FKEB O=C(O)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 13343415 ZOYLRFVRVNAPQT-FPYGCLRLSA-N 355.604 5.241 30 40 FKEB N#Cc1c(N2CCCCC2)nc2c(c1C#N)CCCCCCCCCC2 15109751 AMJZVOHQALSNMC-UHFFFAOYSA-N 350.510 5.035 30 40 FKEB CC(C)=NNc1nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2s1 40542403 DBTBZCPDNVGZIK-UHFFFAOYSA-N 364.474 6.036 30 40 FKEB CCOC(=O)c1cc(CC)sc1/N=C/c1c(O)ccc2ccccc12 100715451 WCVNBBDGDTULRC-CIAFOILYSA-N 353.443 5.097 30 40 FKEB CCCCCCCCCCCC[N+](C)(C)Cc1ccc2c(c1)CCCC2 101014265 IVLKQIREGFGACF-UHFFFAOYSA-N 358.634 7.063 30 40 FKEB CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 103217565 AOLQCHMPTZPIDA-TZIVZOBOSA-N 361.470 5.182 30 40 FKEB Oc1c(C=Nc2ccc(Cl)c(Br)c2)ccc2ccccc12 260840582 GYOMIQWMDLGDRK-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccccc2Sc2ccccc2)c1 408594707 VCDQZXCZJFPSMY-STZFKDTASA-N 364.426 5.297 30 40 FKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408764441 IQSGJZKVSZYCII-FSJBWODESA-N 373.283 6.160 30 40 FKEB CCc1ccccc1/N=C/c1cccn1-c1cccc(Br)c1 409014900 QFLAPUJVQAEBIE-KGENOOAVSA-N 353.263 5.553 30 40 FKEB O=C(COc1ccc(Cl)cc1/C=N/c1ccccc1)Nc1ccccc1 409212734 QEEUBJXKZGMDIR-OEAKJJBVSA-N 364.832 5.108 30 40 FKEB CCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575243013 OBMHZRHNGHUMIN-UHFFFAOYSA-N 366.223 5.290 30 40 FKEB COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1O 1413054 HWLGFGPVNBIKRF-XMTZNVEYSA-N 368.502 5.236 30 40 FKEB CCCCN(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)CCCC 1829014 RRIDJCMQSMSJON-XMMPIXPASA-N 355.566 5.360 30 40 FKEB CCCOc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1 5591296 JSUCPPJDFXIXHP-AWQFTUOYSA-N 373.667 5.587 30 40 FKEB C=CCN(C(=O)Nc1cc2cccnc2c2cccnc12)c1ccccc1 6293416 WQJWBYMPQGMRNY-UHFFFAOYSA-N 354.413 5.008 30 40 FKEB CCOc1ccc(Br)cc1/C=N/c1cccc(Cl)c1C 6963889 SPPHTJQFTATGJV-VXLYETTFSA-N 352.659 5.560 30 40 FKEB N#Cc1cc(Br)ccc1/N=C1\CCCN1c1cccc(Cl)c1 13204490 XXDUOVCVYYHRBB-HEHNFIMWSA-N 374.669 5.305 30 40 FKEB N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCCCC2 16385124 CUBDGHBIJFJAKX-UHFFFAOYSA-N 370.283 5.645 30 40 FKEB Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl 101471699 VOANOMVKZRMPAT-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB Cc1ccc2nc(-c3ccc(N/C=C/C(=O)C(F)(F)F)cc3)sc2c1 102945933 PUIIPVFWSAGKRP-CMDGGOBGSA-N 362.376 5.329 30 40 FKEB CCCCCCCCCCCC[C@H](CN)CCCCCCCCCC 103574483 ASAVFBNAUMXKHJ-XMMPIXPASA-N 353.679 8.403 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)COC 104109754 QYHQEBIHGUJHIN-AXUYNXDZSA-N 353.591 6.175 30 40 FKEB C=CCc1cc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)ccc1OC 223072176 YNZXNCDTFSSJIR-QFIPXVFZSA-N 363.501 5.184 30 40 FKEB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCC2)cc1 225680318 HBXUMCQERBPWQJ-UHFFFAOYSA-N 362.473 5.104 30 40 FKEB CCCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 408915705 QPTAAWQSOIEOTG-OCIPIQTLSA-N 364.514 5.708 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 408950102 DKMPQHBXGUZEGQ-STZFKDTASA-N 368.278 5.056 30 40 FKEB C=C1C[C@H](c2ccccc2)C[C@@H](O)C[C@H](C)CC[C@H]1OCc1ccccc1 616428440 KYPMCHHHSJPUJN-LJYZBVLISA-N 364.529 5.873 30 40 FKEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4758436 LUKFSWINVWQMNF-DXODLALXSA-N 362.485 5.137 30 40 FKEB biogenic,in-vitro N#Cc1ccsc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 6589572 YGTUVPQUBYXZKG-QGZVFWFLSA-N 350.468 5.092 30 40 FKEB COc1ccc2nc(-c3ccccc3)cc(C(=O)/C=C/c3ccccc3)c2c1 16918914 MDRMHMMMACKXIB-NTCAYCPXSA-N 365.432 5.807 30 40 FKEB CC(C)c1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 33376648 URSGHFFYMKAANT-VKAVYKQESA-N 356.465 6.285 30 40 FKEB C=CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 44087764 OQQHEXRPJLDRFG-UHFFFAOYSA-N 374.431 6.145 30 40 FKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 100870595 UVQJZCDBSITYNI-OFKQMTKZSA-N 372.512 5.723 30 40 FKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc2ncccc2c1 142132221 WHZFAZVEZLKUFZ-CVKSISIWSA-N 350.425 5.265 30 40 FKEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 223020895 WSSMOBJXZLTIPU-LJQANCHMSA-N 359.853 5.009 30 40 FKEB CCCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl 408533637 ZQOHVJPHOLQBLO-ATVHPVEESA-N 372.877 5.020 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(C)cc2Br)C1 408563086 IHEDUICHPYAZAH-OKFGHLOFSA-N 364.327 5.859 30 40 FKEB Cc1ccc(-c2cc(/N=C/c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 408737014 GNMYYZBFVJHEBS-PCLIKHOPSA-N 355.416 5.737 30 40 FKEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409201373 MHDKNQZRRXQAKI-RGVLZGJSSA-N 364.670 5.726 30 40 FKEB C/C(=N/Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccc(F)cc1 5034752 QXADLQFVWRRRFD-VYYCAZPPSA-N 374.394 5.411 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccccc1O 5260987 USHSSDJXMVATDT-HSZRJFAPSA-N 369.464 5.746 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccccc2F)c2ccccc21 5376904 CDAKPFQZGOQNRM-QFIPXVFZSA-N 359.425 5.692 30 40 FKEB O=C(O)c1ccc(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 5531341 ROEAKWNJEZQJKU-FOKLQQMPSA-N 374.318 5.110 30 40 FKEB Clc1ccc2c(N/N=C/c3ccc(Cl)c(Cl)c3)ccnc2c1 5694439 KPIJVNUUONOUHU-ZVBGSRNCSA-N 350.636 5.641 30 40 FKEB Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N/OC(C)(C)C)c1 6483660 PLGIIOKXCKDKEU-VXLYETTFSA-N 350.871 5.178 30 40 FKEB in-vivo Cc1cccc(C)c1NC(=S)N(CCC#N)[C@H]1C[C@H](C)CC(C)(C)C1 6491136 ZPWZPXUNDXIEIK-YJBOKZPZSA-N 357.567 5.431 30 40 FKEB Fc1ccc(-c2csc(N/N=C/c3ccccc3C(F)(F)F)n2)cc1 6889429 GYWNZYDHLLRSJM-LSFURLLWSA-N 365.355 5.414 30 40 FKEB N#Cc1ccccc1-c1ccc(CN(Cc2ccco2)Cc2ccco2)cc1 14855863 SCYJNEYHFIEYRY-UHFFFAOYSA-N 368.436 5.614 30 40 FKEB N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 19923664 WHKQZNQVYSYXJO-DSNGMDLFSA-N 373.459 5.381 30 40 FKEB CCN(CC)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242206 KZAALUPYQXDGLH-XIEYBQDHSA-N 374.553 6.576 30 40 FKEB Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 58452115 HIXMNIKNPCMJGJ-UHFFFAOYSA-N 373.378 5.082 30 40 FKEB CCCCCCCC(CCCCCCC)(C(=O)OCC)C(=O)OCC 82074720 LBAXCHLFULIZPN-UHFFFAOYSA-N 356.547 5.820 30 40 FKEB C=CCOc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1 408736272 OTELUIRUMJKULM-GUXCAODWSA-N 372.295 6.385 30 40 FKEB CSc1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1 408857235 NKCPJVBBZJOCQB-WOJGMQOQSA-N 365.296 5.115 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1C 409202210 QCXOCILPVOKWTG-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1 4815372 MKAPNIWPEWSCAM-CIAFOILYSA-N 354.793 5.061 30 40 FKEB C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccc2ccccc2c1 5068309 LXKMBZDYNHLGHB-AFUMVMLFSA-N 372.497 5.559 30 40 FKEB CCCCCC#CC#CCCCCCCCCC(=O)Oc1ccc(O)cc1 5501938 GSUHBLUSNPSEMM-UHFFFAOYSA-N 368.517 6.006 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c(C)c1 8368594 YPXLMVGMKHRDTH-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NCc1ccccn1 8425654 STUIDIMQADARQF-UHFFFAOYSA-N 374.613 6.959 30 40 FKEB CC(C)(C)c1ccc(/N=C\c2cccc(Br)c2)c([N+](=O)[O-])c1 100073395 YWBDOYJXCIWBRP-ODLFYWEKSA-N 361.239 5.405 30 40 FKEB CCCCCCCCCCCCC(=O)CCCC(=O)NCCCCCC 101674653 OPEGEMVPXMMRHJ-UHFFFAOYSA-N 367.618 6.733 30 40 FKEB COc1ccc(-c2csc(NN=C3C4CC5CC(C4)CC3C5)n2)cc1 226823509 WXXSGVQCLXZJMS-UHFFFAOYSA-N 353.491 5.043 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408587079 PVVMHYDUAODHBB-UHFFFAOYSA-N 370.449 5.586 30 40 FKEB C=CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC 408605591 GCSZYQJYCSEWLI-UHFFFAOYSA-N 352.261 5.569 30 40 FKEB C=CCc1ccc(Oc2ncnc3sc4c(c23)CC[C@H](C)C4)c(OC)c1 719358 COLWAGYVUHJKBW-ZDUSSCGKSA-N 366.486 5.346 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(F)cc1 4036849 OGQRMXILQWISSB-OAQYLSRUSA-N 372.443 5.575 30 40 FKEB N#CCCn1cc(/C=C/c2nc3ccccc3s2)c(-c2ccccc2)n1 6754285 DJYRYKIKJQMZBS-VAWYXSNFSA-N 356.454 5.244 30 40 FKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 6941574 JQMIQYJBFLUWRT-RGVLZGJSSA-N 366.686 5.950 30 40 FKEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 8040962 NNDUZQDQYSDOKX-UHFFFAOYSA-N 355.743 5.176 30 40 FKEB Clc1ccccc1-c1nn(-c2ccccc2)cc1/C=N\Cc1ccccc1 8156629 AWXKVCQOZQCBNC-XYGWBWBKSA-N 371.871 5.812 30 40 FKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccc(Cl)cc1 32675111 QIJIZQUWAVKYEP-UHFFFAOYSA-N 374.227 5.044 30 40 FKEB CC(C)c1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1 35311089 XRYONVVSCJPAPE-UHFFFAOYSA-N 364.445 5.344 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C(F)(F)F)cc2)cc1 44843202 HRCPBAFTFDAAEU-OUKQBFOZSA-N 363.379 5.693 30 40 FKEB CCc1ccccc1/N=C/c1cc(Br)c(Br)o1 59105159 XNTRIKKDKOMBBY-LZYBPNLTSA-N 357.045 5.118 30 40 FKEB CCOc1ccc(/C(C)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 59399008 XPJWEGNTIOKIAZ-XKZIYDEJSA-N 371.893 5.698 30 40 FKEB CCCCCCCCCCCCCC[N+](C)(C)CC(=O)N1CCCCC1 100931342 IOLYTBFHMZUKOD-UHFFFAOYSA-N 367.642 5.776 30 40 FKEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 225889058 OFYAIFJXVJQGBF-UHFFFAOYSA-N 374.296 5.448 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)cc1 408764608 XUXDBRPSFOICSP-ZMOGYAJESA-N 354.856 6.200 30 40 FKEB O=[N+]([O-])c1cccc(/C=N\c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)c1 2164866 NIGSPDMFTXJDPP-VOKWCDJLSA-N 374.356 5.004 30 40 FKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N/c2ccc(Cl)cc2)NC1=O 6455910 VDKVPLJYZPMRNZ-LICLKQGHSA-N 367.861 5.021 30 40 FKEB CCCCNC(=S)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 7641787 VBYGZBLHYUCTMZ-KRWDZBQOSA-N 357.910 5.082 30 40 FKEB O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)Cc2ccccc21 15978035 OLEUEMKUBDJOST-JLHYYAGUSA-N 355.220 6.076 30 40 FKEB C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 16711422 PNJANUXZLMFABD-XRAPFCFLSA-N 373.481 5.183 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1N1CCCCCC1 17208198 PLOOHVJOTWAIOA-UHFFFAOYSA-N 371.459 5.807 30 40 FKEB OC1=C(/C=N/N=c2\[nH]c3ccccc3s2)CCC/C1=C/c1ccccc1 96400907 CFRKKZCXKACRNH-NMPCKUKXSA-N 361.470 5.196 30 40 FKEB CCCCCCCCCCCCCCCC/N=C\c1ccc(O)cc1O 104364134 TWMIGWGQJJUBSY-GFMRDNFCSA-N 361.570 6.998 30 40 FKEB CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(CO)=CC[C@@H]12 107434705 GUXDHNIKRQCWIE-NZWLCYNISA-N 368.561 5.651 30 40 FKEB biogenic,in-vitro N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccccc1Cl 225881882 XNMUULPXRICFAK-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB COc1cccc(/C=N\c2ccc(Br)cc2C)c1OC(C)C 409015886 CEOKLQWWCNNUEJ-JAIQZWGSSA-N 362.267 5.304 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409105678 LPMFLLZCHLTFLK-LGPHULDDSA-N 371.790 5.377 30 40 FKEB Cc1nn(C(C)(C)C)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4945793 XTBQAVNBCUITJG-SFHVURJKSA-N 369.896 5.164 30 40 FKEB CC(=O)c1cccc(/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)c1 4979821 BRCKCAMDCTZPOY-KOEQRZSOSA-N 367.452 5.254 30 40 FKEB C=CCOc1ccccc1/C=C1\S/C(=N\CCCC)N(CCCC)C1=O 5552194 SFAFXNHKXWRBIG-BLWADTQWSA-N 372.534 5.124 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1Cl 6880695 INGTZUGYJTVINB-CIAFOILYSA-N 352.261 5.932 30 40 FKEB O=C(/C(=C/c1cccc(O)c1)c1nc2ccccc2s1)c1ccccc1 7745095 QBAKHJAOZGJEKB-JXAWBTAJSA-N 357.434 5.425 30 40 FKEB Oc1cccc2c(N/C(S)=N\c3ccc(OC(F)F)cc3)cccc12 8685639 AMAZNCWRINYJNN-UHFFFAOYSA-N 360.385 5.176 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)CCCC(C)C)[C@H]3C[C@H]12 12661640 RINUGOBJPTXRGQ-WRYYQEFWSA-N 361.570 5.105 30 40 FKEB CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820606 LPDHEUAYGQADJL-LRDDRELGSA-N 372.925 5.381 30 40 FKEB Oc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 59463575 DMDANJWJHPGTBC-HZHRSRAPSA-N 356.450 5.933 30 40 FKEB CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1(C)C 84670895 KBQRTSPEVIKSDQ-XJKCOSOUSA-N 358.894 5.364 30 40 FKEB CN(C)c1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 409021237 ZISJXCTWKRUECJ-STZFKDTASA-N 368.278 5.056 30 40 FKEB COC(=O)c1ccc(N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 4825470 KLIPGXHIQKZMLV-UHFFFAOYSA-N 353.462 5.073 30 40 FKEB CCC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 5017844 NKGBHYNTIDDQHG-XSFVSMFZSA-N 361.923 6.141 30 40 FKEB CCCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(O)cc3)C2=O)cc1 5713120 ZXUWHSSWBVKOOL-NWILIBCHSA-N 362.469 5.791 30 40 FKEB N#Cc1ccc(-c2ccccc2)nc1SC(=O)c1ccc(Cl)cc1 6045668 JGJLQVOXBLAZFX-UHFFFAOYSA-N 350.830 5.206 30 40 FKEB C=CCN(C(=O)c1cc(C)c(CC)s1)c1nc(-c2ccccc2)cs1 6580612 RTLMOBMYRVIMTK-UHFFFAOYSA-N 368.527 5.575 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 7078500 ZEUSGKGIQAMKES-XUANBZSPSA-N 373.500 5.753 30 40 FKEB CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1C1CC1 14184534 XVJPIKKHWNNLPL-UHFFFAOYSA-N 360.486 5.006 30 40 FKEB COc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1OC 20242161 ATUQFCNDIQALDS-HZHRSRAPSA-N 363.482 5.747 30 40 FKEB CCCCCCCCCCCCOP(=O)(N1CC1(C)C)N1CC1(C)C 104159017 MZJLAAXNIQLUNK-UHFFFAOYSA-N 372.534 6.220 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1 408620485 JLDQGPQGXISQNE-JXMROGBWSA-N 352.773 5.194 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(Cl)c3)c2C#N)C1 409199933 FWXOSNPOSYKTIA-IIHGDPFSSA-N 356.922 6.175 30 40 FKEB COc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 409208194 ACWIZEISFAYORO-UCQKPKSFSA-N 351.833 5.678 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3ccccc3)cc2)nc1 4181802 GGUIABASNLEKGD-BRJLIKDPSA-N 371.362 5.125 30 40 FKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(Cl)c(Br)c1 32100442 MOAYZUVPLCCEPG-FMIVXFBMSA-N 364.670 5.610 30 40 FKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 59193757 JGVFXPYQJDHRJS-AWQFTUOYSA-N 362.285 5.871 30 40 FKEB C=CCOc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 225307817 XXCPIGIRYBRZQK-UHFFFAOYSA-N 367.301 5.045 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)nc1 409094566 FUNGAYKRJUQITN-AUEPDCJTSA-N 365.742 5.460 30 40 FKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409096110 JTYGDZIPZXMJLG-HZHRSRAPSA-N 351.833 6.282 30 40 FKEB C#CCOc1c(CC=C)cc(CNc2cccc(Cl)c2C)cc1OCC 409116252 NBGLMYQCCBOOFA-UHFFFAOYSA-N 369.892 5.400 30 40 FKEB CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 677606 GIVZHNSYSDUPLR-VWLOTQADSA-N 369.464 5.912 30 40 FKEB C=CCc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CC=C)c2)ccc1O 1724724 LEQXJAGLXSFBMP-VXKWHMMOSA-N 350.502 6.242 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)o3)cc2)cc1 2797242 PFLRFYISSBKDSG-PCLIKHOPSA-N 367.452 5.825 30 40 FKEB C=CCSc1nc(-c2ccc(OCC)cc2)cc(C(F)(F)F)c1C#N 3637037 ZJMJDIAUROOAJC-UHFFFAOYSA-N 364.392 5.316 30 40 FKEB CCCCCCn1c(/N=C(\C)c2cc(Cl)ccc2O)nc2ccccc21 4600520 CWPRCUQGOZAXIR-HZHRSRAPSA-N 369.896 6.116 30 40 FKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 4863967 GBMLROYZVRIBDW-NCELDCMTSA-N 352.441 5.435 30 40 FKEB O=C1N/C(=N\c2cc(Cl)cc(Cl)c2)S/C1=C\c1ccc(F)cc1 4994820 WJNMOBVLTFQYFK-RZNTYIFUSA-N 367.232 5.024 30 40 FKEB FC(F)(F)c1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2[nH]1 5323304 UJTQMGORFKQMJV-QPSGOUHRSA-N 358.150 5.639 30 40 FKEB FC(F)Oc1ccccc1/C=N/N(Cc1ccccc1)c1ccccc1 5786153 QMCIFBRGUMFQFH-BUVRLJJBSA-N 352.384 5.329 30 40 FKEB N#CCSc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 32904334 DEGTYPVRPQIFQE-UHFFFAOYSA-N 359.454 5.298 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2OC)cc1 44843272 LAUHWFWHUSTYBX-VAWYXSNFSA-N 359.853 5.336 30 40 FKEB Clc1ccccc1/N=C\c1ccc(/C=N/c2ccccc2Cl)cc1 101487907 PZGVNFWUAIWZMQ-NQGGHMMCSA-N 353.252 6.495 30 40 FKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 135988638 CWYHHHSUZCNBAW-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222981082 JQQNIKKDXMVORR-INIZCTEOSA-N 351.515 5.335 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2C)C(=O)N1CC 408915208 PPBTXENMYJOIPT-KLPPEWMLSA-N 350.487 5.181 30 40 FKEB O=[N+]([O-])c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409075938 VYSDTPOFDHTLJG-BKUYFWCQSA-N 368.845 6.150 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1444636 JTPUIKZSWHNMTG-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB N#Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 2192933 ABXDTLRLYUPYNA-FSJBWODESA-N 366.873 6.163 30 40 FKEB CCCCCCCSc1nc2ccccc2c(=O)n1Cc1ccccc1 2294068 AJTMTFXHRDAIIC-UHFFFAOYSA-N 366.530 5.507 30 40 FKEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc2c(c1)Nc1ccccc1S2 5560650 FHJOSLCOURVSDJ-DHRITJCHSA-N 371.469 5.607 30 40 FKEB Cc1ccc(/N=C(/Nc2ccc(Cl)cc2)c2cccc3ccccc23)cc1 6922770 VSDXDZRNRTZOQP-UHFFFAOYSA-N 370.883 6.992 30 40 FKEB CCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 12754340 ULVYRZSJKPHYHM-UHFFFAOYSA-N 358.466 5.524 30 40 FKEB CCCCCCCCCCCC1=N[C@](C)(COC(=O)c2ccccc2)CO1 104326490 QHBPGMYOYGWKSF-QHCPKHFHSA-N 373.537 5.952 30 40 FKEB COc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccccc2)cs1 211002247 DCGYEWSKFKYSQO-LPYMAVHISA-N 359.454 5.418 30 40 FKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1cccc(Cl)c1 832751 MPEGLWBXHIPUPZ-UHFFFAOYSA-N 364.857 5.249 30 40 FKEB Cc1[nH]c2ccccc2c1/C=N/c1ccccc1C(=O)Nc1ccccc1 1229027 VVUQVNSUGALZBO-BUVRLJJBSA-N 353.425 5.479 30 40 FKEB O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc(-c2ccccc2)cc1 1640477 YMJVDQPVOFGMSI-UHFFFAOYSA-N 369.464 5.578 30 40 FKEB CC[C@H](C)c1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 7449724 WXPDBCQZSSPGSD-NPMXOYFQSA-N 363.526 6.466 30 40 FKEB Fc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(F)cc2)cc1 16400074 RYIIJLOBKPNTAE-WVNBFDEUSA-N 365.210 5.881 30 40 FKEB Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 20736253 WYOPRJGCNBLOIK-KXBFYZLASA-N 362.454 5.003 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 408737434 AMWCBGIGLDKNCO-CIAFOILYSA-N 353.809 5.406 30 40 FKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 409114639 ITPLNOGGXZHFJG-UHFFFAOYSA-N 356.680 6.132 30 40 FKEB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 608275 XYGMEFJSKQEBTO-KYXNHBOGSA-N 364.913 5.017 30 40 FKEB in-vitro Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 668302 QUXJYFJZKYFHSY-CAOOACKPSA-N 353.603 5.070 30 40 FKEB CCCCCCCCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1 3021057 SKMTVOVGDOHHEH-UHFFFAOYSA-N 351.446 5.227 30 40 FKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 4675505 WBNYNUWENJAQAA-JOCHJYFZSA-N 371.480 5.174 30 40 FKEB CCCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1 5591297 YHTVRAUQNPJRMI-LSHDLFTRSA-N 372.774 5.299 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 13576030 SIEUFRALAPBKDI-UDWIEESQSA-N 372.291 5.409 30 40 FKEB CSc1ccc([C@@H]2C3=C(CCCC3=O)N=C3C2=C(O)c2ccccc23)cc1 95483835 GWCHMQIMTOHQSH-LJQANCHMSA-N 373.477 5.285 30 40 FKEB CCCCCCCCCCCCCCCC(=O)OCCSCCCC 100921102 AESNIIHOZJJKTA-UHFFFAOYSA-N 372.659 7.544 30 40 FKEB CCCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1 102561872 QXVFKOHTXCLVJP-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1C 225885874 RQDBPBMRZHQQKH-UHFFFAOYSA-N 351.837 5.053 30 40 FKEB Cc1ccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 408719765 QYSGGLIXIIOZEF-TXNBCWFRSA-N 350.237 5.016 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3cccc(Cl)c3Cl)cc2)cc1 409228661 CFQXJRRGDASSDZ-QRVIBDJDSA-N 372.320 7.204 30 40 FKEB N#CCCSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 2267563 BPJJPLFHAFPVOE-UHFFFAOYSA-N 353.497 5.416 30 40 FKEB O=C(/C(=C/c1ccc(F)cc1)c1nc2ccccc2s1)c1ccccc1 5445778 PJDNJHORCWWSKH-JXAWBTAJSA-N 359.425 5.859 30 40 FKEB C/C(=N\N=C1c2ccccc2-c2ccccc21)c1ccc(-n2ccnc2)cc1 5693744 QCHSRZDUAUIAQN-YZSQISJMSA-N 362.436 5.114 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C#N)C1 12983582 PKEJBMSUHBAMSE-SNVBAGLBSA-N 364.392 5.016 30 40 FKEB CN(C)/C(=N\c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 91695246 GTAUKKIKEBBHQM-HMAPJEAMSA-N 362.182 5.047 30 40 FKEB COc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1Cl 198075119 IIUMWVHISVJLPL-JMKVTYIUSA-N 356.897 5.821 30 40 FKEB Cc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1C 408859786 ZOPLEVCCSPMOPX-FRKPEAEDSA-N 357.045 5.172 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)O 409202910 UFVLCFUIFXDUMA-UUYOSTAYSA-N 352.821 5.196 30 40 FKEB O=C(/C=C/c1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 575362654 SGOMEQUOBXEPLA-RMKNXTFCSA-N 355.153 5.364 30 40 FKEB N#Cc1ccc(-c2ccco2)nc1SCc1ccc(Cl)c(Cl)c1 1471734 YLWVZDRHLNLXJH-UHFFFAOYSA-N 361.253 5.812 30 40 FKEB CN(C)c1ccc(/C=C/C=N/N=C2c3ccccc3-c3ccccc32)cc1 1710193 KBBXQLBCPISXLD-CJWOJCOVSA-N 351.453 5.270 30 40 FKEB N#C[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1731808 GBEKEAOIGQOROL-VXKWHMMOSA-N 370.408 5.259 30 40 FKEB Oc1ccc(Br)cc1/N=C/c1sc2ccccc2c1Cl 2282230 SACDODGTIVQFLK-QGMBQPNBSA-N 366.667 5.773 30 40 FKEB CCc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 2349009 VUNSXAZHCZDXPE-HMAPJEAMSA-N 364.518 5.350 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)n1 4823583 LBSHCMQCZQSXKN-VABCKDIBSA-N 370.562 5.341 30 40 FKEB O=C(/C=C/c1cccc(Br)c1)c1cc(Cl)ccc1Cl 6340885 IFVFHEDTBTXQLD-QPJJXVBHSA-N 356.046 5.652 30 40 FKEB Fc1ccccc1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 31854531 AJGXJNIQUTXFSB-ZBKNUEDVSA-N 366.248 5.702 30 40 FKEB CCCCCCCCCCCCS(=O)(=O)Nc1cc(C)ccc1O 100922122 QXZZNASAHGQLAY-UHFFFAOYSA-N 355.544 5.363 30 40 FKEB CCCCCCCNCc1ccc(OCc2ccccc2F)c(OC)c1 102568296 IXQXVYGBBJXPLB-UHFFFAOYSA-N 359.485 5.473 30 40 FKEB CCCCCCCCCCCCCCCCC/C=N/N1CCCCCC1 104061741 UHHPNHODBXONAD-YYDJUVGSSA-N 364.662 8.110 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C1/C=CC(=O)S1 118926260 XLKXECJPNJSIGX-KARMDIHZSA-N 370.558 5.394 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408739203 TVUMFVHOCWLOHI-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB Cc1ccc(-n2nc(C)c(/C=N/Nc3cccc4ccccc34)c2C)cc1 408992402 BBSRZHZOEOGHBA-BUVRLJJBSA-N 354.457 5.397 30 40 FKEB COc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 793515 MUTLUQHJSGAUDY-SRZZPIQSSA-N 355.777 5.057 30 40 FKEB N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCCCC2 3209594 ZKCIHMYOYPWVQJ-UHFFFAOYSA-N 372.493 5.808 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)c(C)c1 8368610 YVVCWVVMWJWKBU-DHRITJCHSA-N 367.851 6.426 30 40 FKEB Cc1ccc(/C=C2/CCC[C@H]([C@H](NO)c3ccc(C)cc3)/C2=N/O)cc1 104283714 HWQOPKDWYTZYLY-ZSDMIGAWSA-N 350.462 5.037 30 40 FKEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225827772 KKLNJGSNPBULLX-IERDGZPVSA-N 360.498 5.050 30 40 FKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1 408757466 XFGVBPXMHPCEPI-MTJSOVHGSA-N 353.809 5.406 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408773023 ORADMQBUBAKFAZ-FYHAJLKWSA-N 364.920 7.012 30 40 FKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2)sc(=S)c2c1CCCC2 1522199 MYNASIQZJDHFKW-UHFFFAOYSA-N 360.891 5.134 30 40 FKEB CN(C)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(Cl)c1 1710209 YJHBMEDOZMZMLL-ZVHZXABRSA-N 359.860 5.258 30 40 FKEB C[C@H](C#N)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 4246630 RWJCFRGOXSWJNA-GFCCVEGCSA-N 361.392 5.108 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1NC(=O)c1ccccc1 8334599 QHOMWJJVMQLCJQ-BUVRLJJBSA-N 359.473 5.363 30 40 FKEB Clc1ccc(/C=N\CCCCCC/N=C/c2ccc(Cl)cc2)cc1 17376672 FGWCNZPMXNRXKM-REPVBDINSA-N 361.316 6.092 30 40 FKEB CCCCc1nc(N(CCC)CCC)c(C#N)c2c1CSC(C)(C)C2 20841037 VMFCMJTXRBMMCZ-UHFFFAOYSA-N 359.583 5.490 30 40 FKEB O=C(/C=C/c1ccccc1OCc1cccnc1)c1c[nH]c2ccccc12 97402605 PMBXXEGIAGPTPI-VAWYXSNFSA-N 354.409 5.038 30 40 FKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1 100134791 BDDXKGBCNRQCAG-ZMOGYAJESA-N 367.807 5.757 30 40 FKEB N#CCCSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 108200905 AKCKZIYJJKSCJK-UHFFFAOYSA-N 366.417 5.344 30 40 FKEB O=C(O)c1ccc(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 408908771 DAJDDYXKICTJPZ-RGVLZGJSSA-N 370.202 5.158 30 40 FKEB Cc1ccc(-n2nc(C)c(/C=C3\Sc4ccccc4C3=O)c2C)c(C)c1 408994427 HMIWFDDXOVZTCY-MTJSOVHGSA-N 360.482 5.435 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(C)c1C 584905962 VVDPELJRYRZYGT-UHFFFAOYSA-N 354.906 5.905 30 40 FKEB C=C1CC[C@H]2[C@@H](OC)c3cccc(O)c3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2037844539 WOQQFVWLTCXRJH-SUYVIKNLSA-N 356.506 5.640 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1 864779 QUUKEJGYXIBELH-FSJBWODESA-N 362.816 5.913 30 40 FKEB Cc1ccc(C)c(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)c1 1007917 ABWOWSQCYRSDOH-ZHUAHHRVSA-N 361.470 5.019 30 40 FKEB O=C(O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 1096924 RCUMCAQPRUEMST-SRZZPIQSSA-N 359.212 5.233 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OC 2093549 XCTYCHCUFZVFGC-UHFFFAOYSA-N 352.261 5.487 30 40 FKEB O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1cccs1 4193929 AJCMKTSJTGTQHX-VQHVLOKHSA-N 359.244 5.667 30 40 FKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(F)cc1 6961340 BDJKLZSRKXKIKL-MFKUBSTISA-N 363.432 5.862 30 40 FKEB Cc1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1Br 59248512 UPUNLHKBFJYZMA-CIAFOILYSA-N 373.681 5.952 30 40 FKEB Cc1ccc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1 1080624 MERYMFYEUXWOLK-KRWDZBQOSA-N 365.498 5.220 30 40 FKEB S/C(=N\N=C\c1c(Cl)ccc(Cl)c1Cl)Nc1ccccc1 1789303 BBYDHYHUAYGGKC-QGMBQPNBSA-N 358.681 5.379 30 40 FKEB Clc1ccc(/C=N/OCc2cccc(Br)c2)cc1Cl 1882561 DXVBJYXJRCPQEE-QGMBQPNBSA-N 359.050 5.307 30 40 FKEB CCN(CC)c1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 2131551 VFXZMCUBDGEUGW-UDWIEESQSA-N 365.702 5.699 30 40 FKEB C(=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2)\c1ccccc1 3285514 HHZDMVMTRLRTBP-OEAKJJBVSA-N 374.534 6.654 30 40 FKEB CCc1ccc(C(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 5214618 GMZSMUYHWIUKNS-ZRDIBKRKSA-N 370.370 6.424 30 40 FKEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3cc(C)cc(C)c3O)o2)cc1 5461778 XINBRUUOHDSMIK-YDZHTSKRSA-N 363.413 5.196 30 40 FKEB N#C[C@H](Cc1ccccc1)Sc1ncnc2sc(-c3ccccc3)cc12 6578379 MIVZTCIVSZUKKB-KRWDZBQOSA-N 373.506 5.585 30 40 FKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C)cc3C)c12 8229820 WMXDKJCOMANJJT-OUKQBFOZSA-N 369.468 5.296 30 40 FKEB Cc1ccc(-c2csc3ncnc(OCc4ccccc4C#N)c23)cc1 12739520 NPCZJZJSXTVBME-UHFFFAOYSA-N 357.438 5.117 30 40 FKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc2ccccc2c1 408911379 NCNCYLKXHOWOBF-AFUMVMLFSA-N 368.436 5.727 30 40 FKEB O=C(/C=C/c1cc2ccccc2o1)c1ccccc1OCc1ccccc1 3898233 ZLKSYAPNIOBNSN-CCEZHUSRSA-N 354.405 5.908 30 40 FKEB Cc1ccc(/C=N/c2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)o1 4730516 HUHXWWZXSDCKIP-LSHDLFTRSA-N 370.239 6.189 30 40 FKEB COc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 5257268 XHXUWBDAEKPKBA-UFWORHAWSA-N 359.640 5.110 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 12656805 RXZQACCASWKYSX-PDFGRASLSA-N 373.537 5.347 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccccc1Cl 14671940 FIPHIFFMXLQWDJ-HXUWFJFHSA-N 369.917 6.242 30 40 FKEB O=[N+]([O-])C(/N=N/c1ccc2ccccc2c1)=N/Nc1ccc2ccccc2c1 16927953 IQBINNRCPKWRDH-OJKLJAQXSA-N 369.384 5.737 30 40 FKEB CC(C)CC[C@@]1(CC/N=C/c2ccc(N(C)C)cc2)CCO[C@H](C(C)C)C1 100761312 XFEGJCRHNUKDAC-AQBMQYIGSA-N 372.597 5.819 30 40 FKEB biogenic CCCCCCCCCCCCOC(=O)C[C@@H]1C[C@H](C(C)=O)C1(C)C 104172354 LGGLZSKITXBWKZ-VQTJNVASSA-N 352.559 6.092 30 40 FKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 140677427 PPZTTZGPBGWPLD-MFKUBSTISA-N 355.441 5.402 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)cc(C)c3)c2C)cc1 408741720 KTPLWHABJYDDSK-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB COc1ccc(/N=C/c2c(-c3ccccc3)[nH]c3c(OC)cccc23)cc1 408841214 DCYRYHXIKMFVRJ-BUVRLJJBSA-N 356.425 5.603 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccco3)cc1)N2 408934766 FZBVDNFSAPGYTL-PDNYKJPMSA-N 354.453 6.165 30 40 FKEB N#Cc1c(/N=C/C=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 409166322 DNMGTWNDAJQYNP-CQJLVFNUSA-N 374.443 6.901 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C(=O)O)cc3C)cc2)cc1 409229705 TYDVUDWERQVPDF-OEAKJJBVSA-N 361.466 5.903 30 40 FKEB CCCCc1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 409243784 UDXOOZPYIRYUOW-HKOYGPOVSA-N 350.506 5.779 30 40 FKEB Cc1cc(O/C=C/C(=O)c2ccc(Br)cc2)ccc1Cl 1041307 BZAYQIFSHVKRRG-CMDGGOBGSA-N 351.627 5.186 30 40 FKEB C=C(CC(=O)OC[C@H](CC)CCCC)C(=O)OC[C@H](CC)CCCC 4933563 CGNRQCGWXXLTIA-RTBURBONSA-N 354.531 5.452 30 40 FKEB in-vitro COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1 4979622 OXPHLKJQTVJLGU-CYVLTUHYSA-N 371.461 5.728 30 40 FKEB Cc1ccc(O)c(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 6501440 KKPFTVDDSITFSP-YDZHTSKRSA-N 364.832 5.357 30 40 FKEB C/C(=N/Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(C(C)(C)C)cc1 12462011 CYUMPEDXKSDUEK-JLPGSUDCSA-N 363.530 6.252 30 40 FKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(C#N)cc2)cc1 17106688 MWZAEVGEFBTLHG-ZROIWOOFSA-N 361.441 5.330 30 40 FKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccccc3)C[C@@H]12 36614415 NNZFUMSSDBUFQN-GXPWFBBOSA-N 372.508 5.814 30 40 FKEB C#CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 409195426 PZNNTLMMMZZANL-UHFFFAOYSA-N 350.245 5.016 30 40 FKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1 4866478 MMDLFMTUOJVFTA-CSKARUKUSA-N 361.199 6.289 30 40 FKEB FC(F)Oc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 4921162 RTLRMNJAEILJBO-GZIVZEMBSA-N 364.701 5.406 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3cccc(OC(F)F)c3)cc2)cc1 6078793 XKDYYOGNHKXRFA-UHFFFAOYSA-N 365.335 5.046 30 40 FKEB CC(C)Oc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2Cl)cc1 6564027 OWDIKCUCNIEAGE-MDZDMXLPSA-N 350.245 5.589 30 40 FKEB C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 8765186 NFTNYKVRZWTBBR-SRZZPIQSSA-N 359.425 5.058 30 40 FKEB biogenic Fc1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)o1 41107546 QKXQZLXDRIEZDU-SSDVNMTOSA-N 366.783 5.128 30 40 FKEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 51318658 VQTLTTQZYBPGSX-CCEZHUSRSA-N 365.473 5.575 30 40 FKEB CCOc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)ccc1O 59483030 ACPYFMMDEBXGRS-KEBDBYFISA-N 358.850 5.318 30 40 FKEB Cc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1NC(=O)c1ccco1 102422482 HWWZHJGZSSHKPU-ZVHZXABRSA-N 370.408 5.450 30 40 FKEB CCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408541049 BBAINWQWTAVPKE-ZMOGYAJESA-N 372.424 5.294 30 40 FKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccc(C)cc2)cs1 409051925 DJVFZPPTCFLUTO-KKTPBOSZSA-N 351.450 5.759 30 40 FKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O 409087492 CSWBOUVKDBWUHI-CHOFVFFHSA-N 368.502 5.236 30 40 FKEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 2443960 KCLAANDTAOBHCD-UHFFFAOYSA-N 359.857 5.216 30 40 FKEB COc1ccc(Nc2ccc(/N=C/c3ccc4ncccc4c3)cc2)cc1 4868322 RFAADANMHKVIFW-PCLIKHOPSA-N 353.425 5.738 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 6961231 HKVBXHCXYPPADX-WGOQTCKBSA-N 373.496 6.340 30 40 FKEB FC(F)(F)c1nc(/N=C/c2ccc(Cl)cc2)sc1-c1ccccn1 12360630 GNKQKRYFNSBTMV-LSFURLLWSA-N 367.783 5.628 30 40 FKEB COc1ccccc1/C=N/c1ccc2c(c1)nc(C)n2Cc1ccccc1 13756676 JNIATJCDNRIDSO-BUVRLJJBSA-N 355.441 5.152 30 40 FKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 20509907 IRSSRBJGHBHGMI-QMHKHESXSA-N 356.425 5.259 30 40 FKEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 20759842 AYDCECSYNGCSTH-UHFFFAOYSA-N 362.241 5.207 30 40 FKEB CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)OCCC 104388547 VQXMBCHWQMSJHU-UXHICEINSA-N 358.563 5.143 30 40 FKEB C[C@H]1CCc2c(-c3ccccc3)nc(OCc3ccccc3)c(C#N)c2C1 170622710 MTFKSMWWQTXDRV-KRWDZBQOSA-N 354.453 5.324 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(C#N)c1C 408954820 NODYOCAZBUCJQV-ZVBGSRNCSA-N 369.764 5.340 30 40 FKEB CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409077561 GASWOPNRARFDAA-HUSFYUSLSA-N 366.530 5.920 30 40 FKEB C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br 409212254 OIAOXFJHDDZOJR-RGVLZGJSSA-N 362.654 5.174 30 40 FKEB C=CCn1c(SCc2ccc(C)c(C)c2)nc2sc(C)c(C)c2c1=O 2335266 DDJUQMIHZOGZDR-UHFFFAOYSA-N 370.543 5.170 30 40 FKEB C(#Cc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1)c1ccccc1 3202573 YQIBEDPQMOUTBD-SGWCAAJKSA-N 357.456 6.504 30 40 FKEB C[C@@H]1CC(C)(C)Cc2c1sc(NC(=O)CCc1ccccc1)c2C#N 3227435 MIEUYGKSQAFOBB-CQSZACIVSA-N 352.503 5.267 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c(OCc2ccccc2)c1 4160057 PNQUCMFXLMFXCI-WYMLVPIESA-N 368.432 6.216 30 40 FKEB O=C(C/[S+]=c1/cc(-c2ccc(Cl)cc2)ss1)c1ccccc1 5327798 XOBWFDFNTAFUQK-UHFFFAOYSA-N 363.936 5.627 30 40 FKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Cl)c1O 6155355 GDGLTENKKKCUAM-UFFVCSGVSA-N 360.866 5.007 30 40 FKEB CCCCCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 11992240 PCLIQHZKGXZVFG-PXLXIMEGSA-N 365.502 5.825 30 40 FKEB O=C1c2ccccc2-c2cc(Cl)c(/N=C\c3ccc4c(c3)OCO4)cc21 104085916 HZXOBSUIHMKFDF-RMORIDSASA-N 361.784 5.031 30 40 FKEB N#Cc1c(/N=C/c2ccc(/N=N/c3ccccc3)o2)sc2c1CCCC2 408719325 CDAFFKOSYZLSNG-QTANEOQUSA-N 360.442 6.258 30 40 FKEB CC(C)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409228048 SWRMJRIGBOJUGA-YUMHPJSZSA-N 370.471 6.703 30 40 FKEB CCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330175 GPYWTIGTMLSTRJ-SREVYHEPSA-N 366.214 6.226 30 40 FKEB CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Br 6963917 FMFPCHCFGMPKSS-VXLYETTFSA-N 352.659 5.560 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 8371882 QPUPURJSUZQIPX-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196812 BRAIHGJLIFQKAY-QFIPXVFZSA-N 361.441 5.103 30 40 FKEB C=CCc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1OC 30851216 PSMXEAMWWQLVEA-XMMPIXPASA-N 371.480 5.252 30 40 FKEB C/C(=N\c1coc(-c2ccc(C)cc2)n1)Nc1coc(-c2ccc(C)cc2)n1 41097540 CFABGCUOFYXBFV-UHFFFAOYSA-N 372.428 5.775 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)c1 408966611 MNHNDQPDFYDFPR-PCLIKHOPSA-N 374.484 5.584 30 40 FKEB Clc1ccc(COc2ccccc2/C=N/c2ccccc2)c(Cl)c1 409218963 ZBSKJFGWRHCQQR-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3O)nc2c1 4713974 PBYNLWUNIVCNQR-FSJBWODESA-N 358.397 5.273 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5164749 SMNJKMWXFINECL-LSCVHKIXSA-N 361.224 5.565 30 40 FKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1Cl 5201117 BHUOPXOVUCHRBX-SRZZPIQSSA-N 367.861 5.964 30 40 FKEB COc1ccc(/C=C\C(=N\N=C/c2ccccc2O)c2ccc(F)cc2)cc1 8637751 GFTFCQRPCUHCEL-GJOGTRCSSA-N 374.415 5.077 30 40 FKEB O/N=C1\C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1Cc1ccccc1 13301354 ODMJIIJUJAYBCI-YIRXRCABSA-N 356.469 5.151 30 40 FKEB Cc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c(Br)c1 51318725 YOCLOTRVFHPGBZ-ZHACJKMWSA-N 358.279 5.689 30 40 FKEB C=CCc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OCC)c1O 59248004 JVJLJOHGLCVRFY-KOEQRZSOSA-N 372.468 6.014 30 40 FKEB CCCCCCCCCCCC(=O)NCCc1ccc(OC)c(OC)c1 97960076 NDDFHOVDGIKYGG-UHFFFAOYSA-N 363.542 5.283 30 40 FKEB Cc1nn(Cc2ccccc2)c(C)c1/C=N\c1ccc(Br)cc1 100243333 WBQYVDMLVULIRO-MTJSOVHGSA-N 368.278 5.061 30 40 FKEB CCCCCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 100312541 FEVRIVHKMHDTPV-UHFFFAOYSA-N 360.538 5.952 30 40 FKEB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1c1ccc(C#N)cc1 199413355 IMRGUSHXBVWQPD-HSZRJFAPSA-N 363.420 5.098 30 40 FKEB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C#N)c1 225680486 HTWFOZIAKYQZMH-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 409186347 ASXLWLSWQOLGIV-ZVHZXABRSA-N 366.892 6.205 30 40 FKEB N#Cc1nc([C@H]2C[C@H]2c2ccc(F)cc2)oc1NCc1ccccc1Cl 1775976638 SIMVKICPSXCVQV-HOTGVXAUSA-N 367.811 5.222 30 40 FKEB Cc1nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c(C)c1C 2262232 SVMJYVYBKYFGOI-UHFFFAOYSA-N 365.285 5.160 30 40 FKEB CCCCN(CCC#N)c1ccc(/C=C/c2ccnc3ccccc23)cc1 37866059 VZCTZXOBCIIQFH-FMIVXFBMSA-N 355.485 5.925 30 40 FKEB CCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C#N)cc2)cc1 100476574 GDGPEIRFCAZFGV-LFIBNONCSA-N 363.457 5.526 30 40 FKEB biogenic CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C 118915171 CPCJRYTXAKLNNM-FQJIPJFPSA-N 358.522 5.086 30 40 FKEB biogenic C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O 253498591 BXEKJWVUCNPPSL-PFOQCJEKSA-N 362.557 6.682 30 40 FKEB biogenic CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408741916 SMOFMPWTPQLXKL-BUVRLJJBSA-N 359.473 5.113 30 40 FKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccccc2Cl)c1 409208602 HDNFAPBNYRYVHV-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3[N+](=O)[O-])c2C#N)C1 409208786 ABZZVHKMNGRODI-JCRYTKJOSA-N 367.474 5.430 30 40 FKEB C=C1C(Cl)=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(F)cc1 2454469 HBODRMGTZBCBJR-IBGZPJMESA-N 368.860 6.575 30 40 FKEB Cc1ccc2nsnc2c1/N=C/c1c2ccccc2cc2ccccc12 3072519 GNFBCYVGVRKWRY-YDZHTSKRSA-N 353.450 6.057 30 40 FKEB Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(Oc3ccccc3)c1)CC2 3355425 FFEDUEBNKVZQQY-HMMYKYKNSA-N 354.449 6.308 30 40 FKEB Cc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)c(C)n1C1CCCC1 5578277 IUDHFRHUMXTWKA-LPYMAVHISA-N 364.518 5.790 30 40 FKEB N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2 6340533 QGMQJFGXRAPXRY-DLBZAZTESA-N 350.487 5.021 30 40 FKEB OC1=Nc2ccc(F)cc2/C1=N\Nc1c(Cl)cc(Cl)cc1Cl 6673250 XROXSGSXTWDRIQ-UHFFFAOYSA-N 358.587 5.204 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10118885 UBQJNQCEFOEHQW-BUVRLJJBSA-N 352.865 5.406 30 40 FKEB CC(C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 13125958 ZLOIEMQAPBJQAA-CRUFNBOHSA-N 361.470 5.180 30 40 FKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)ccc1F 103011102 ANYGIIPMGSBJJU-UHFFFAOYSA-N 369.211 5.255 30 40 FKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225932057 PTCIEEROSKXQEI-UHFFFAOYSA-N 355.865 5.355 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 226337680 COBJCZRDYHMJEC-WYMLVPIESA-N 374.436 5.170 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)c1 408963714 AKIKTCGQJPLEMJ-MFKUBSTISA-N 374.484 5.638 30 40 FKEB Cc1ccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)cc1Cl 409209021 FDWUNHUJANNGDQ-SSDVNMTOSA-N 353.805 5.016 30 40 FKEB Cc1cc2c(cc1C)N[C@@H](c1ccccc1O)C1=C(CC(C)(C)CC1=O)N2 1268618 BAYSEKHPPOKONC-QFIPXVFZSA-N 362.473 5.231 30 40 FKEB CCCCc1ccc(/C(C)=N/Nc2cc(OC)nc(-c3ccccc3)n2)cc1 5298636 XZOKWFITGWBJEN-YZSQISJMSA-N 374.488 5.331 30 40 FKEB N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH]c1=S 5450657 PPGKPIGKNOAPOJ-UHFFFAOYSA-N 356.372 5.969 30 40 FKEB N#Cc1c(/N=C/C(Br)=C\c2ccccc2)sc2c1CCC2 6440310 MVYGVAIWOOCPII-GFQJXZDYSA-N 357.276 5.247 30 40 FKEB Clc1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Cl)c1 15227514 BWZZVLPFWQZPQN-ZVBGSRNCSA-N 360.196 5.733 30 40 FKEB Cc1cc(C)c2c(n1)sc1c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12 28632589 KLQAKHJYKRZIMK-UHFFFAOYSA-N 364.861 5.236 30 40 FKEB Cc1ccc(-c2nc(N/N=C/c3ccccn3)sc2-c2ccccc2)cc1 59484353 TXQSVQZIDTUECJ-BUVRLJJBSA-N 370.481 5.627 30 40 FKEB Clc1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 100402500 YJWUORMXRPGVMW-HZHRSRAPSA-N 366.848 5.187 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C 100999205 IOJIWCZYNSBQRT-UHFFFAOYSA-N 374.569 5.587 30 40 FKEB COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 712931 PTXRLECHXKLXHX-HZHRSRAPSA-N 362.429 5.207 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 6190108 VQVAMOSXZPKAOO-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(C)cc2)o1 6475807 KCPHIRPXPYZNHK-WSDLNYQXSA-N 353.805 5.446 30 40 FKEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 16678464 ZIYWUCYBJKZQEQ-XDHOZWIPSA-N 361.529 6.477 30 40 FKEB CCC(/C=N/n1c(-c2ccccc2F)cs/c1=N/C1CCCCC1)CC 103460751 KNIMOCVGOWZQBD-LGLHSBMDSA-N 373.541 5.859 30 40 FKEB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)Cc2ccccc21 108143189 RWODITIPMAPEDI-ACCUITESSA-N 355.220 6.076 30 40 FKEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)cc1 225880817 GLTZASQWVJKAAK-UHFFFAOYSA-N 353.425 5.244 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408606514 IILQLCBDQMIDNQ-UHFFFAOYSA-N 353.205 5.079 30 40 FKEB Clc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1 4860665 HFAWWSMSCNKBBA-FBHDLOMBSA-N 352.850 5.391 30 40 FKEB O=C(Nc1ccccc1)O/N=C(\c1ccccc1)c1cc(Cl)ccc1O 5584455 FNNSQJNZLKHZOB-FCDQGJHFSA-N 366.804 5.047 30 40 FKEB C=CCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 14397597 XXSBBFIYIXWSGT-UHFFFAOYSA-N 371.480 5.266 30 40 FKEB CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 59059126 WWTTXMMZHOBTAM-NRFANRHFSA-N 372.590 5.534 30 40 FKEB biogenic COc1cccc(/N=C(\O)CN(C)C(c2ccccc2)c2ccccc2)c1 82049828 WWYPCDZLNHZJTL-UHFFFAOYSA-N 360.457 5.005 30 40 FKEB CC1(C)C[C@H]([C@H](CC/N=C/c2ccccc2)c2ccc(F)cc2)CCO1 100726825 WDBMCHUCIZNYQQ-FTKAFSTISA-N 353.481 5.624 30 40 FKEB CCCCCCCCCCCCCCCCCCCCCCCC(C)C 103642111 ZRNSSRODJSSVEJ-UHFFFAOYSA-N 366.718 10.245 30 40 FKEB biogenic CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 198080288 FEMISIHLDBJTHW-GCMSVZMUSA-N 363.505 5.426 30 40 FKEB Cc1ccccc1/N=C\c1c(Br)c(C)n(-c2ccccc2)c1C 408847574 NPQGMKRAJVCWHC-XKZIYDEJSA-N 367.290 5.916 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C#N)C1 409083625 TYCNRLHQHTZSOY-CHOFVFFHSA-N 356.922 6.175 30 40 FKEB COc1c(Cl)cc(Cl)cc1[C@H](C#N)N1N=C(C)C[C@H]1c1ccccc1 4834753 MXIJKSTURHMVDS-ROUUACIJSA-N 374.271 5.390 30 40 FKEB Clc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1 5562039 OPXZVOLIPIRYAJ-AUEPDCJTSA-N 364.861 5.458 30 40 FKEB Brc1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)cc1 15228254 HFGZNXCRVKZCTH-KEBDBYFISA-N 370.202 5.188 30 40 FKEB CN(C)c1ccc(/C=C2/CCC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 26570987 XRJCFZUOXQVWGF-ISPAOBMBSA-N 360.501 5.039 30 40 FKEB CCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O 59766665 CLXADVHCSCRADU-KRWDZBQOSA-N 359.576 5.010 30 40 FKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3cccs3)cc2)cc1 100073829 OSZBWEIGRZSHRL-HZHRSRAPSA-N 363.482 6.015 30 40 FKEB C=CCOc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225375279 DBLHUHHCUZRRHH-UHFFFAOYSA-N 350.245 5.130 30 40 FKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1cccc(Cl)c1 408751641 AWPGOLUMOKXWAG-ZVHZXABRSA-N 350.893 6.622 30 40 FKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1cccc(Cl)c1Cl 408860085 YDQDRIXLZAMFDW-JYRVWZFOSA-N 367.232 5.024 30 40 FKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 408921912 CHAJFGIIUBMGAV-HYARGMPZSA-N 351.475 5.353 30 40 FKEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409045174 FNJJBGXGOXGRFP-KPSZGOFPSA-N 365.043 5.687 30 40 FKEB CCCc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1CC 19827393 BJNCUSVTEANIGK-UHFFFAOYSA-N 371.484 5.296 30 40 FKEB CCCCCCCCCCCCCCCCCC1=N[C@](CC)(CO)CO1 104326454 ZFRHGYULKOIOBB-HSZRJFAPSA-N 367.618 6.818 30 40 FKEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 222695515 WJNFCKNAHUFEEO-KRWDZBQOSA-N 353.462 5.089 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408739714 ZXVMSNSCLGBTLZ-KOEQRZSOSA-N 359.517 5.999 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)cc1 408758201 HLWTWQUYSJFNEM-WNIQNGNASA-N 358.529 6.921 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2CC(C)C)cc1 408907924 CLZOGOFRULAKPC-NFYBBCHUSA-N 350.487 5.255 30 40 FKEB FC(F)(F)c1ccc(N/N=C\c2cccc(Oc3ccccc3)c2)cc1 408931061 GQIDTNHXGCIKHI-OYKKKHCWSA-N 356.347 5.944 30 40 FKEB CCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cccc(C)c21 409042181 WQHKHHADRZXUQA-YZSQISJMSA-N 369.512 5.962 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2cc(Cl)ccc2C)cc1OC 409117122 QGOYELUEGWDANV-UHFFFAOYSA-N 357.881 5.562 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1 409229806 VGODAWWHWWVFPN-OEAKJJBVSA-N 351.902 6.859 30 40 FKEB Cc1ccc(C/N=C/c2cccn2-c2ccc(OC(F)(F)F)cc2)cc1 1394858 QPNQXINWELEVFC-ZVHZXABRSA-N 358.363 5.303 30 40 FKEB CCCCCCCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1 2597034 IHFLHVDMHFOGCO-LKUDQCMESA-N 351.534 7.129 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1 14165808 ACERGHXZQNGUCY-VCBZYWHSSA-N 371.267 5.722 30 40 FKEB C(=N/Nc1ccccc1)\c1cccc(OCc2cccc3ccccc23)c1 58822687 ZHBUMDFDJJIYMK-KOEQRZSOSA-N 352.437 5.865 30 40 FKEB CCCCCCCCCCCC[C@H](/C=N/O)S(=O)(=O)c1ccccc1 100955146 LELAWXCGQNNCFB-QOJBNDRUSA-N 367.555 5.600 30 40 FKEB CCCCCCCOc1ccc(C(=O)N2C=Cc3ccccc3[C@H]2C#N)cc1 100965333 NULHVPJQZXWBIO-HSZRJFAPSA-N 374.484 5.727 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1 408859486 UTHIGRRDDCLJJO-KGENOOAVSA-N 368.278 5.056 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1cc(C)ccc1C 408911706 NYLQEEBLLZIQHS-NFYBBCHUSA-N 350.487 5.236 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3OCC)c2C)cc1 409187747 UINRSIWTEMLMTK-JLPGSUDCSA-N 362.473 5.642 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3[N+](=O)[O-])c2C#N)C1 409208789 ABZZVHKMNGRODI-ZDXHCBJDSA-N 367.474 5.430 30 40 FKEB CCCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1 409373174 NZTOGGUQANTZDW-AHDBMNBVSA-N 366.486 5.023 30 40 FKEB CCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 3094763 WTSGXLFEUABGMK-XIEYBQDHSA-N 367.452 5.689 30 40 FKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C(C)=O)cc1 5250337 BHIBIRPXNOXRSI-UHFFFAOYSA-N 368.440 5.176 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1 6961518 NNPHNWLEKMPIRL-PCLIKHOPSA-N 359.469 6.032 30 40 FKEB CCc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 8085073 JVTQPYDTQVLYSE-LFVJCYFKSA-N 358.441 5.017 30 40 FKEB CCOc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 12032567 MBJQCVRMLRNCOX-ZHZULCJRSA-N 374.465 5.130 30 40 FKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 13282381 RWIABTMUMVTNLZ-UHFFFAOYSA-N 364.857 5.249 30 40 FKEB Clc1ccc(/C=N/CCCCCC/N=C/c2ccc(Cl)cc2)cc1 18100383 FGWCNZPMXNRXKM-DFEHQXHXSA-N 361.316 6.092 30 40 FKEB CCCCN(CCCC)[C@@]1(c2ccccc2)OC(c2ccccc2)=CC1=O 31772955 QPWLRILOMZGPPY-DEOSSOPVSA-N 363.501 5.382 30 40 FKEB CCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 100295155 VAZJSOGWHFPJDB-RTBURBONSA-N 354.531 5.177 30 40 FKEB CCCCCCCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1 101472053 PFJYZAIJEDJCHQ-UHFFFAOYSA-N 357.365 7.877 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2Cl)c1C 408845640 GVUOKLMTOQQWSW-OYKKKHCWSA-N 350.893 6.369 30 40 FKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCCC 409120675 RSZJUOUVSKZAMY-UHFFFAOYSA-N 369.505 5.613 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 1056163 QNQWXOXQPCINSQ-ZVHZXABRSA-N 370.408 5.340 30 40 FKEB biogenic O=C1/C(=C/c2ccc(Br)cc2)c2ccccc2-c2ccccc21 1715520 FUCLOWMKPUKLFD-DEDYPNTBSA-N 361.238 5.853 30 40 FKEB N#Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 2055562 XLBNJFUGGZDXIP-OGLMXYFKSA-N 373.415 6.108 30 40 FKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1 2264789 GKANCDFLNCEBQD-UHFFFAOYSA-N 369.559 5.782 30 40 FKEB CC(=C/c1ccccc1)/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O 2411527 QZVKWPAHBBJEBY-VHDJGTGISA-N 354.862 5.178 30 40 FKEB CCc1ccc(/C=N/N=c2\sc3ccccc3n2Cc2ccccc2)cc1 4705069 VPOGAPYVGPYWCK-PJCQBAECSA-N 371.509 5.248 30 40 FKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)/C=C/c1ccc(Cl)c(Cl)c1 5328279 PEIXSRCYWCYQCA-SOSXVSKCSA-N 372.078 6.596 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 8371786 YQHJVABYWFWBTJ-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB Cc1cc(/C=N\c2ccc3ncccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116830 RZBSNOXBLAOZQA-OYKKKHCWSA-N 370.412 5.301 30 40 FKEB COc1cc(/C=N/c2c(C)n[nH]c2C)ccc1OCc1ccccc1Cl 101549701 BQFPHVNNKHZUPV-SSDVNMTOSA-N 369.852 5.018 30 40 FKEB N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408596405 YWXIWOMHATVWFO-KSEXSDGBSA-N 371.223 5.676 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4c(F)cccc4Cl)ccc3o2)cc1 2053693 YWTRUNUQDAMOSI-WYMPLXKRSA-N 364.807 6.346 30 40 FKEB COc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1Cl 3059738 WTZMATQAXGIDPT-YDZHTSKRSA-N 362.816 5.907 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3c(Cl)cccc3Cl)n2)cc1 5363640 IKCMZUSGFPJBGZ-AWQFTUOYSA-N 362.285 5.871 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 8368745 UDRHGHSLQAJKTM-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB C=CCOc1nc2c(c(-c3ccccc3Cl)c1C#N)CCc1ccccc1-2 8672296 JMDMWIZBTKPKCQ-UHFFFAOYSA-N 372.855 5.604 30 40 FKEB Cc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1Cl 13132507 YIKQESSLCVQZGE-BHGWPJFGSA-N 374.831 5.086 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C1\C=CC(=O)S1 118926272 XLKXECJPNJSIGX-DIKRPFDGSA-N 370.558 5.394 30 40 FKEB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCCCCC1 225852890 KXGOSFWIOWYNFU-QGZVFWFLSA-N 372.509 5.194 30 40 FKEB O=C(O/N=C1\CCSc2ccccc21)c1ccc(Cl)c(Cl)c1 849705 BIKGPXKICHNTFW-XMHGGMMESA-N 352.242 5.050 30 40 FKEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCc1ccccc1 5306917 KCBJGYRAXPZJHU-UHFFFAOYSA-N 368.484 5.088 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(OC(F)F)cc3)c2C)cc1 5657726 NYLPCSUCEXKICJ-ZMOGYAJESA-N 354.400 5.755 30 40 FKEB Clc1cnc(N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 5960066 IPPPDTFBHFFMDD-FOKLQQMPSA-N 372.255 5.413 30 40 FKEB CCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)N=C2O)cc1OC 6554497 YCOYZYLGGNMKIQ-PDGQHHTCSA-N 368.458 5.134 30 40 FKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O 100505570 PIRUJMVLFOAKPS-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)cc1 408755988 XBYULMRWWZDMPK-ZVHZXABRSA-N 366.892 6.069 30 40 FKEB Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1Br 409103392 BGUMUGJZDBYORH-CAOOACKPSA-N 353.603 5.070 30 40 FKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1)Nc1ccc3ccccc3c12 975560 VYBQKHJYBKHYDZ-XMMPIXPASA-N 353.465 6.149 30 40 FKEB Cc1cc(N/N=C/c2cc(C)n(-c3ccccc3)c2C)nc2ccccc12 4172035 IDTWVDKXTSFBRQ-BUVRLJJBSA-N 354.457 5.397 30 40 FKEB Cc1nc([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cs1 4901408 NIYPNKHDGWDAOX-ACXQXYJUSA-N 369.574 6.067 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1O 5260996 USHSSDJXMVATDT-QHCPKHFHSA-N 369.464 5.746 30 40 FKEB CCn1c2ccccc2c2cc(N/C(S)=N/C(=O)c3ccccc3)ccc21 5549482 MPVYHVZFNOUXSB-UHFFFAOYSA-N 373.481 5.353 30 40 FKEB CNc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 5693182 OIRIWWAARYBWHJ-RIYZIHGNSA-N 364.445 5.580 30 40 FKEB N#Cc1ccc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)cc1 6590440 PJKANQGZCAEYPZ-BUHFOSPRSA-N 364.404 5.016 30 40 FKEB Cc1ccc(C(=O)/C=C/S/C(=N/C#N)SCc2ccccc2)cc1 95628839 MEVRJHXOIPKYQG-BPYFUBPNSA-N 352.484 5.195 30 40 FKEB COc1ccc(-c2csc(N/N=C3/C[C@]4(C)CC[C@@H]3C4(C)C)n2)cc1 103832619 OHQOTSWIQKHXGB-IDSPPEIBSA-N 355.507 5.433 30 40 FKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)nc2ccccc21 408692537 OPZOWCSEQUEYES-BUVRLJJBSA-N 371.488 5.218 30 40 FKEB Cc1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C 408850301 KVPXSHXFVXCPLU-MTJSOVHGSA-N 353.809 5.406 30 40 FKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 408916392 WZMKOEWUZHUPGO-CXPRPJQYSA-N 368.477 5.537 30 40 FKEB CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 409382812 RFKGROBKGNYHNK-ZVHZXABRSA-N 372.380 5.821 30 40 FKEB CCOC(=O)c1c(/N=C/c2[nH]c3ccccc3c2Cl)sc(C)c1C 727509 BFQDRERQKADFBO-AWQFTUOYSA-N 360.866 5.427 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C#N)c1C 1093490 RAYWCJXMGSLWOZ-LSFURLLWSA-N 359.212 6.086 30 40 FKEB COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2239187 IQXCPELUXWSHGU-HSZRJFAPSA-N 371.461 5.562 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C#N)C1 4679995 RXESSQOVHJWKIT-OAHLLOKOSA-N 358.551 5.680 30 40 FKEB C=C(C)CSc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 5271472 ZHTUKOLDEGDHQL-KRWDZBQOSA-N 366.577 5.323 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccccc2F)c2ccccc21 5376896 CDAKPFQZGOQNRM-JOCHJYFZSA-N 359.425 5.692 30 40 FKEB C=CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 10472905 MXLCKXSWGJNUBR-UHFFFAOYSA-N 359.425 5.083 30 40 FKEB COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 59463564 LMXVQSZCGSHZKS-LFVJCYFKSA-N 370.477 6.236 30 40 FKEB CCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@@H]12 70665159 CYZKFNCUYBQMOB-AUSIDOKSSA-N 356.554 6.339 30 40 FKEB biogenic COc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 680997 AJWXIKQZFFZBKF-ZVHZXABRSA-N 365.404 5.173 30 40 FKEB Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@H]2c2cccc(Cl)c2)cc1 1711990 RPYNQNRJOLZBBC-OALUTQOASA-N 364.894 5.080 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 2051967 OCENJVTZSFGUFV-CZMNVGCUSA-N 372.855 6.872 30 40 FKEB Clc1cccc(Cl)c1/C=N/c1nc2c(ccc3ccccc32)s1 3089473 HTKJWVUUUHUCDR-UFFVCSGVSA-N 357.265 6.507 30 40 FKEB Cn1cc([C@@H]2Cc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 5421439 XITWIYIIIVHJCX-SFHVURJKSA-N 370.496 5.573 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c(C)c1 8368793 BNTLMZXXJSWURL-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccccc2)n1 19820772 IIQOTTDALKLMRF-UHFFFAOYSA-N 350.491 5.040 30 40 FKEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 32100176 CVSIYIAQWCFZNS-AATRIKPKSA-N 371.061 5.564 30 40 FKEB Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccco2)cc1 100396632 RNNRMGCVVFXRSJ-YDZHTSKRSA-N 361.832 5.405 30 40 FKEB C=CCOc1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225868463 WIHBCHBIWMWZCB-UHFFFAOYSA-N 352.503 5.007 30 40 FKEB C/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1C 409067303 OVGDBRPLFOJPOB-JTHVCAJSSA-N 374.918 5.023 30 40 FKEB CCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772493035 RACRSWIMRBVETP-JUFPLPLGSA-N 370.533 5.396 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 864777 RDEXYINTAGBZJV-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1F 18272467 XUZTWLXIMCALFG-MDWZMJQESA-N 367.232 5.024 30 40 FKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 21722400 FJUOMZBLLGHOPS-HSZRJFAPSA-N 374.484 5.158 30 40 FKEB CCCCCCCCCCCCSCCNCCSCCCC 100934623 RMMQORWWQAZJKG-UHFFFAOYSA-N 361.705 6.763 30 40 FKEB Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225879529 KGZJZWXHIXALCA-UHFFFAOYSA-N 372.255 5.398 30 40 FKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3ccccc3c2O)cc1 409095741 IPAPHHNLADHXEX-PCLIKHOPSA-N 369.420 6.097 30 40 FKEB N#Cc1nc([C@H]2C[C@@H]2c2cccc(F)c2)oc1NCc1ccccc1Cl 1775977533 ZKKBEFMVPQBRNJ-CVEARBPZSA-N 367.811 5.222 30 40 FKEB N#Cc1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCC2 2709754 WCRMSDWERLRMDG-UHFFFAOYSA-N 374.465 5.543 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(C(C)(C)C)cc3)c2C)c1 4738839 MTKYZOQBGKSJTL-WGOQTCKBSA-N 358.529 6.759 30 40 FKEB Cc1ccc2cc(C)c(N/N=C/c3cc(C)n(-c4ccccc4)c3C)nc2c1 5525735 WSGMYNLEBFZXFQ-MFKUBSTISA-N 368.484 5.705 30 40 FKEB CCOc1ccc(/N=C2\NC(=O)S\C2=C/C(C)=C/c2ccccc2)cc1 5652419 ZYFSCUZRODQSGZ-FQHLDWHWSA-N 364.470 5.559 30 40 FKEB Cc1ccccc1N/N=C1/C=C(c2ccc(-c3ccccc3)cc2)OC1=O 6218152 ATLXUGKWIOOMLC-DAFNUICNSA-N 354.409 5.028 30 40 FKEB CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(Cl)cc1 18192518 IHOVZBYUCULJDQ-CIAFOILYSA-N 356.882 5.257 30 40 FKEB CCC(=O)O[C@@H]1CCC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 33679694 VBXGBFDLNSIXQO-XPRTXTSQSA-N 358.522 5.230 30 40 FKEB COC(=O)c1c(N=C(c2ccccc2)c2ccccc2)ccc2c1CCCC2 38224672 BWPICKYKZWJHPU-UHFFFAOYSA-N 369.464 5.521 30 40 FKEB CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C 95858854 YZRVTWRPCLHSRW-UHFFFAOYSA-N 370.642 6.497 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 101405528 SIUPQTLWAXZFAG-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(C)C)cc1 408908838 DKRIOHHEKOTALY-ZVHZXABRSA-N 360.457 5.666 30 40 FKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc(Cl)c1 409052653 JAIUOTKHPUUJIJ-FXBPSFAMSA-N 355.846 5.205 30 40 FKEB O=C(/C=C/Sc1ccc(Cl)cc1)c1cccc(Br)c1 1041253 PXQSRTPSXRWHMK-CMDGGOBGSA-N 353.668 5.591 30 40 FKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(=O)c2cccs2)cc1 4114070 RYOKLJQWTFDFQW-IZZDOVSWSA-N 368.841 5.517 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)cc1 4158525 KQEXRBGZAHCHRN-RMKNXTFCSA-N 361.199 6.289 30 40 FKEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2cccc3ccccc23)cs1 5022647 ARFQJDUATTXIER-LGUFXXKBSA-N 372.428 5.442 30 40 FKEB C=CCn1c(S[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC 8132737 QFLKSKMDHHMUOK-CQSZACIVSA-N 369.465 5.132 30 40 FKEB Cc1c(NC(=O)c2ccc(C#N)cc2F)cccc1-c1nc2ccccc2o1 9190326 GNXYBMXTIAISKO-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB Cc1cc(Cl)cc(Cl)c1O/C=C/C(=O)c1cccc2ccccc12 16269640 OAYSVCUFDLGPTA-MDZDMXLPSA-N 357.236 6.230 30 40 FKEB CCCCCCCCCCCC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 100070096 ZGLNYPQAUHQFES-NRFANRHFSA-N 356.510 5.515 30 40 FKEB CCCCCCCCCCCC(=O)Nc1cc(Cl)c(OC)cc1OC 104164471 QKORKTJEHNUPQL-UHFFFAOYSA-N 369.933 6.217 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225848767 CMBBWURBDFDKNU-HTAPYJJXSA-N 374.525 5.440 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3Cl)S2)cc1Cl 408737524 CQQWNUHKBSVLOV-NVNXTCNLSA-N 363.269 5.193 30 40 FKEB COc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C#N)CCC2 1508753 RJWRJDHRXFWRIP-DNTJNYDQSA-N 351.258 5.174 30 40 FKEB N#Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCCC2 3209600 DOARWXYMRYERIV-UHFFFAOYSA-N 365.285 5.448 30 40 FKEB Cc1ccc(C)c(NC(=S)N/N=C/c2cc(C)n(C3CCCC3)c2C)c1 3242344 ZGROWQAIHLQKCW-LPYMAVHISA-N 368.550 5.157 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)O)c3)c2C)c1 4740744 XYNIOIXINQEADC-FSJBWODESA-N 366.848 5.505 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1CN1CCCCC1 13068710 JWYKBMIPCHGHJR-PKNBQFBNSA-N 369.892 5.231 30 40 FKEB O=C1c2ccccc2-c2cc(Cl)c(/N=C/c3ccc4c(c3)OCO4)cc21 17862013 HZXOBSUIHMKFDF-AUEPDCJTSA-N 361.784 5.031 30 40 FKEB CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 19820737 LQEYCOYCKDVOAN-PBHICJAKSA-N 352.507 5.036 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CCCO1 100049569 GIPDEPRRXIBGNF-DYYZXQNHSA-N 366.586 6.746 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3c(C)[nH]c4ccccc34)C(=O)N2C)cc1 101508497 ZVPLGTYLVYMWMP-CRUFNBOHSA-N 361.470 5.019 30 40 FKEB CCCCCCCCNCc1cccc(OCC)c1OCc1ccccc1 105345311 SMNQVJKBDSVCJZ-UHFFFAOYSA-N 369.549 6.114 30 40 FKEB C/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 109131677 ZYHWHNDIVSRFMS-IHWYPQMZSA-N 360.113 5.301 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 225848486 JPJYNSUBBMRTBP-QFIPXVFZSA-N 374.525 5.441 30 40 FKEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)c1 225885281 VEXZGKDHUZAGMV-UHFFFAOYSA-N 351.837 5.053 30 40 FKEB Clc1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)cc1 408819408 RYCPPEVYJQXIPH-ZVHZXABRSA-N 359.860 5.789 30 40 FKEB Cc1oc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C#N)c1C 408917829 BSLVQXSLXILYMP-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB O=C(/C=C/c1ccccc1)c1ccc(COc2cc(F)ccc2F)cc1 575358087 IWJRBTJTBCRZJD-MDWZMJQESA-N 350.364 5.440 30 40 FKEB CCCCCCCCCC[n+]1c(C)n(CC)c2cc(Cl)c(Cl)cc21 1883971 PWYNTGFZYWRRJR-UHFFFAOYSA-N 370.388 6.705 30 40 FKEB C[C@H]1[C@@H]2C/C(=N/Nc3nc(-c4ccc(Cl)cc4)cs3)[C@@H](C2)C1(C)C 4746647 PMOPGEDYCSIGCV-NAZCIHQISA-N 359.926 5.934 30 40 FKEB CCc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 4748852 LYNQXIBIQAXNJH-DEOSSOPVSA-N 369.489 6.116 30 40 FKEB CCOc1ccc2ccc(OCC)c(C=C3C(=O)c4ccccc4C3=O)c2c1 5874528 UTJINUZJVLTRGC-UHFFFAOYSA-N 372.420 5.100 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\c1ccc(C)cc1 16739423 UXFIAMBYUFBUPA-DQRAZIAOSA-N 350.487 5.260 30 40 FKEB Clc1ccc(/C=N\Nc2c3ccccc3nc3ccccc23)cc1Cl 31672205 RKXGAIIRHURFIY-FMCGGJTJSA-N 366.251 6.141 30 40 FKEB COc1ccc(NC(=O)[C@@H](Sc2cccc(C#N)c2)c2ccccc2)cc1 79051070 DPPDPBAPNIEHNL-NRFANRHFSA-N 374.465 5.039 30 40 FKEB Cc1ccc(/N=C/c2ccccc2I)cc1Cl 408550526 HRLHFDRHAJMYJH-RQZCQDPDSA-N 355.606 5.004 30 40 FKEB N#Cc1csc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 530736276 YRJCMAOKRMLHQU-UHFFFAOYSA-N 361.451 5.149 30 40 FKEB Oc1ccccc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 1505742 ULVYEDVYODHWTI-YDZHTSKRSA-N 362.816 5.528 30 40 FKEB CCCCCCCCCCCC(=O)Oc1ccc2oc(=O)sc2c1 2073085 BNKNQLNQCNBCDG-UHFFFAOYSA-N 350.480 5.681 30 40 FKEB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 2736826 GJQYHWAGWSAIHH-UHFFFAOYSA-N 366.530 5.829 30 40 FKEB CCCCCc1ccc(-c2ccc(C3=CC(=O)[C@H](CCC)CC3)cc2)cc1 3194391 BCPGCZDORRBQDZ-XMMPIXPASA-N 360.541 7.249 30 40 FKEB CC(/C=C1\S/C(=N\c2ccc(F)c(Cl)c2)NC1=O)=C\c1ccccc1 5551474 GSDRHGQFSYULNS-YZXVBUGESA-N 372.852 5.317 30 40 FKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(C)cc1 8084886 NBDSPNRYRUVIDD-YZSQISJMSA-N 373.496 6.286 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1N1CCCCC1 13513051 BBUSHCSYDOPDAQ-UHFFFAOYSA-N 357.432 5.417 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100081773 BKVIKGPYIXDAAC-OEAKJJBVSA-N 361.445 5.876 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1Cl 409209356 GFAVUVQSNISYDQ-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB FC(F)(F)C(CCSCc1ccccc1)(C(F)(F)F)C(F)(F)F 1083812578 VEFXXGVICYGUTE-UHFFFAOYSA-N 370.280 5.983 30 40 FKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 4074986 BDUZAOKMWOWWMI-MWTRTKDXSA-N 372.493 5.728 30 40 FKEB O=C(/C=C/c1ccccc1)Nc1ccc(/C=C/C(=O)c2cccs2)cc1 4695698 LUAQEYNXDQLWFZ-WFYKWJGLSA-N 359.450 5.296 30 40 FKEB C=CCCCCCCCCC(=O)O[C@H](CC=C)c1ccc2c(c1)OCO2 5426560 KXXBORXYWJRZAX-LJQANCHMSA-N 358.478 5.883 30 40 FKEB Cc1cc(C)c2sc(N(CC(C)C)C(=O)c3ccc(C#N)cc3)nc2c1 16000762 OFMSTRFUUVWDKU-UHFFFAOYSA-N 363.486 5.088 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 18059274 PCZJQGWRZVQKJD-ZVHZXABRSA-N 370.408 5.340 30 40 FKEB biogenic O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 27023902 SDYUZGGQOFUQND-ATFGCDJJSA-N 352.393 5.203 30 40 FKEB CN(C)c1ccc(/C=N/CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 100253457 BYYQXUOKLFCTPP-HWEDYNCSSA-N 364.533 5.089 30 40 FKEB CCCCCCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 102560768 JEAWDOMPBGCOII-UHFFFAOYSA-N 354.321 6.704 30 40 FKEB C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 408818122 XYLPFXQZCGEQLQ-MFKUBSTISA-N 370.477 5.414 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 408966905 OWGVBWBCEIPXFY-VULFUBBASA-N 373.887 6.355 30 40 FKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409082907 UDHUOFHLGQLJGY-LJGKHRNASA-N 352.503 5.530 30 40 FKEB CC1(C)OB(c2cccc3c2-c2ccccc2C32CCCCC2)OC1(C)C 1772715242 GKGCNQSEFNSYRZ-UHFFFAOYSA-N 360.306 5.216 30 40 FKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2414848 KIMQMGDGVRARAE-GRSHGNNSSA-N 370.763 5.267 30 40 FKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)s1 6046991 IRSRPZLPJHYVES-FBCYGCLPSA-N 353.196 5.910 30 40 FKEB Cc1ccc(C(=O)/C=C2\Nc3ccccc3N=C2c2ccc(C)cc2)cc1 6199492 IRTKTKSBZNNSNA-JCMHNJIXSA-N 352.437 5.617 30 40 FKEB COc1ccc(/N=C(/Nc2ccncc2)c2cccc3ccccc23)cc1 6274999 WOXRHQWBROXYFC-UHFFFAOYSA-N 353.425 5.434 30 40 FKEB Cc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C)c1 8368472 PZCLYBZGWNKAQB-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CN(C)c1ccc(/C=C\C=N\N=C2c3ccccc3-c3ccccc32)cc1 8627695 KBBXQLBCPISXLD-LQWVPYAGSA-N 351.453 5.270 30 40 FKEB COc1ccccc1CSc1noc(-c2cccc(Cl)c2)c1C#N 9691645 IPYGJLPGSXWHBC-UHFFFAOYSA-N 356.834 5.168 30 40 FKEB CN(C)c1ccc(C=C2C(=O)[C@H](C(C)(C)C)C[C@H](C(C)(C)C)C2=O)cc1 16322960 PBYDKAORTOPEMY-KDURUIRLSA-N 355.522 5.003 30 40 FKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O 27332767 VDKVPLJYZPMRNZ-YVLHZVERSA-N 367.861 5.021 30 40 FKEB CCOc1ccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 59459304 LBQOUTONBHQBCQ-LPYMAVHISA-N 364.470 5.067 30 40 FKEB C=CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 218006944 MNOJVWJCCHSJAG-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc12 225931080 ORZLZUJUJKGQAJ-UHFFFAOYSA-N 371.480 5.855 30 40 FKEB Clc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)cc1Cl 408913982 WSEVIZKGPODHSB-NKVSQWTQSA-N 360.196 5.733 30 40 FKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 4063865 FXXOJGCRGMFKFK-OEAKJJBVSA-N 372.497 5.475 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1 4749402 XEJZKBBOYMCICW-JXMROGBWSA-N 353.761 5.404 30 40 FKEB COc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1Cl 5601409 JFCMAUNTCVGVGB-SSDVNMTOSA-N 369.804 5.366 30 40 FKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cccc(Cl)c2)c1C 408913473 VBDKLUOULBGMKD-FSJBWODESA-N 366.848 5.505 30 40 FKEB CCOc1ccccc1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 3525878 XUSDFFUIMIBWMB-LFVJCYFKSA-N 361.441 5.424 30 40 FKEB O=C1/C(=C/c2c(O)ccc3ccccc23)Sc2ccc3ccccc3c21 4070793 RCJWVSLYXUMWMZ-BKUYFWCQSA-N 354.430 6.028 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 4551276 TYXQGVSQEXNKQC-FNORWQNLSA-N 363.269 5.067 30 40 FKEB C=CC[C@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1cccc(OC)c1OC 4682997 SPJSDMUVWYYMBN-LNLFQRSKSA-N 358.478 5.103 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 8368124 DCUFSYOAUZCFLK-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 19923666 WHKQZNQVYSYXJO-UBFVSLLYSA-N 373.459 5.381 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 44843150 MWTHEZHLVLVGJN-OUKQBFOZSA-N 374.278 5.437 30 40 FKEB CC(C)CC[C@]1(CC/N=C/c2ccc3c(c2)OCO3)CCOC(C)(C)C1 100759687 IJZWOXUHBZIEBU-DHNIJCFSSA-N 359.510 5.236 30 40 FKEB biogenic FC(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531350 JYJDYPJOQLXHAY-OWOJBTEDSA-N 364.076 5.208 30 40 FKEB CCCCCCCCCC[C@H](O)CN1CCN(c2cccc(C)c2)CC1 104063977 VJINHTMZUPZCKC-QHCPKHFHSA-N 360.586 5.009 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2sc(C)c(C)c2C#N)cc1OCC 408817531 WCQWWRZVVYGDPT-SSDVNMTOSA-N 372.877 5.051 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccs3)cc1)N2 408934713 FWTYOXVLFQCOAK-KUMOWPEWSA-N 370.521 6.634 30 40 FKEB C=CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OC 409113007 HPJJJXHDLAEJHS-UHFFFAOYSA-N 352.261 5.487 30 40 FKEB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)Oc2c1ccc1ccccc21 1775964825 GGGXWGJMORQAEO-SXGWCWSVSA-N 357.192 5.468 30 40 FKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 829440 KRTGAMWSPVKIET-LPYMAVHISA-N 367.290 5.916 30 40 FKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1052143 MPUSFQNLQLGPKM-OEAKJJBVSA-N 374.396 5.181 30 40 FKEB Cc1cc(Br)c(O)c(/C=N/c2ccccc2N2CCCCC2)c1 2251139 PHRUSTPHJJDKGM-FYJGNVAPSA-N 373.294 5.204 30 40 FKEB C#CCOc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1 2367733 JTOIXWRNUQYJHL-UHFFFAOYSA-N 369.399 5.192 30 40 FKEB Cc1c(CCC(C)C)c(NCCC(C)C)n2c(nc3ccccc32)c1C#N 4994834 HHWSQCIBPKZURT-UHFFFAOYSA-N 362.521 5.714 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6295864 ONFOFHOGEKWXRQ-LFVJCYFKSA-N 363.844 6.448 30 40 FKEB Cc1ccc(-n2c(-c3ccccc3)cc3c2CC/C(=C\N(C)C)C3=O)cc1 12955222 JFRVIAUPCPTCQO-KNTRCKAVSA-N 356.469 5.027 30 40 FKEB CCOc1ccc2nc(SCc3ccc(C#N)cc3Cl)sc2c1 59484619 UMEWFGWRQDASNZ-UHFFFAOYSA-N 360.891 5.512 30 40 FKEB CCCC/C=C\[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97949867 VTQJUMDFJZMYAO-RBSILHGTSA-N 368.186 5.768 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(C)C 104110087 XBAWSQDWPKWYFF-QXMHVHEDSA-N 352.607 5.702 30 40 FKEB O=[N+]([O-])[C@H](c1ccccc1)[C@@H](C/C(=N\O)c1ccccc1)c1ccccc1 104155232 SCTWZSDTEFFVCK-XZIUATRESA-N 360.413 5.057 30 40 FKEB C/C(=N/O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C 104289658 CCYPCFLUAOOJCH-IWIPYMOSSA-N 374.469 5.169 30 40 FKEB Sc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 408850175 HLYQNLHSQZSFCF-XDHOZWIPSA-N 357.276 5.279 30 40 FKEB COc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3C)cc1)OCO2 409085636 FARHYXAJWQIQOJ-QRVIBDJDSA-N 361.397 5.275 30 40 FKEB Brc1sc(N/N=C/c2ccccc2)nc1-c1ccccc1 4475403 NCUPWGLUNGZWRM-WOJGMQOQSA-N 358.264 5.019 30 40 FKEB Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4945777 XTBQAVNBCUITJG-GOSISDBHSA-N 369.896 5.164 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(C#N)cc3)C2=C(O)C1 5044879 XEPNGRIVRIDEEJ-FQEVSTJZSA-N 374.484 5.372 30 40 FKEB COc1cc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 5210319 IMMBKJGNTJGOKG-OUKQBFOZSA-N 374.436 5.179 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 5902690 OMPQWXSUUGQPHE-ZDUSSCGKSA-N 356.466 5.162 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 8371878 SSJQAUZPBUJYLS-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 12855732 FIVCFHHFTUZUBZ-SSZFMOIBSA-N 358.437 5.687 30 40 FKEB C=CCN(C(=O)c1cc2c(F)cccc2s1)c1nc2ccccc2s1 12979884 FZZFXEFBBDQESG-UHFFFAOYSA-N 368.458 5.483 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1O 13039602 IUWDSDJDORQNEN-RUDMXATFSA-N 374.864 5.375 30 40 FKEB O/N=C(\c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 18045520 VZCLLMDAMDVQMG-SRZZPIQSSA-N 369.557 5.287 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1CC 408692749 UHYYUYJBZZZIDV-LFVJCYFKSA-N 372.472 5.444 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc3c(c2)OCO3)c1C 408960674 NPNCMZJZXAKFIN-CFRMEGHHSA-N 360.457 5.444 30 40 FKEB O=C(/C=C/Nc1cccc(Br)c1)c1cccc2ccccc12 409176087 GZXITUUENVPTFC-VAWYXSNFSA-N 352.231 5.411 30 40 FKEB COc1ccc(/C=C/C=C/C(=O)c2ccc3oc4ccccc4c3c2)cc1 1954947 RJMPVCFNPUHAIR-JHMJBTLWSA-N 354.405 6.047 30 40 FKEB Cc1ccc2nc(N/N=C/c3ccccc3Cl)nc(-c3ccccc3)c2c1 4183552 ZLGDXTFIHQPZRP-ZVHZXABRSA-N 372.859 5.705 30 40 FKEB CC(C)(C)C#C[C@H]1N(c2ccccc2)N=C(c2ccccc2)N1C(C)(C)C 5519980 GTUTUJVDOFKSRU-OAQYLSRUSA-N 359.517 5.345 30 40 FKEB CCCCn1c(/N=C\c2cc(Cl)cc(Cl)c2O)nc2ccccc21 38162800 QAILIFPQCMHGLK-NHDPSOOVSA-N 362.260 5.599 30 40 FKEB CCCCCCCCCCc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663847 QJGRDHUHYGJWPZ-NCELDCMTSA-N 365.517 6.819 30 40 FKEB CCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccc(OCC)cc1 61971817 JQGAHXVEWUKPLB-RORWIDQYSA-N 370.474 5.001 30 40 FKEB CC1(C)C[C@@H]2C[C@](C)(CN2CC#CC[C@](O)(c2ccccc2)C(C)(C)C)C1 102676564 FMISKHXPDOXXJM-ZODMCCGTSA-N 367.577 5.214 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 408691943 ZHNZNHWAUFFTPT-JXMROGBWSA-N 351.333 5.198 30 40 FKEB Cc1ccc(/N=C\c2cc(Br)c(Br)o2)c(C)c1 408951222 IHUYBTCDOYWOJJ-APSNUPSMSA-N 357.045 5.172 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(C)c3)c2C)c1 408966814 NORIQJJZAOHYEY-IWIPYMOSSA-N 360.457 5.330 30 40 FKEB COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 409093129 XVUQKJMLODOGMC-LUILSVGHSA-N 352.503 5.530 30 40 FKEB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2ccc(O)cc2)cc1 409111987 AFVLFFSBHJIKQE-BKUYFWCQSA-N 364.426 5.511 30 40 FKEB Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc(C)c1O 6500877 MZEHQSPPWCRNFN-YDZHTSKRSA-N 351.833 6.205 30 40 FKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1Cl 6927699 FONAPTZPZJYLFY-IBGZPJMESA-N 352.865 5.514 30 40 FKEB Cc1ccc(/N=C2\C=C(Nc3ccc(C)cc3)C(=O)c3ccccc32)cc1 13648115 JHXHRMQADPCSMV-YYDJUVGSSA-N 352.437 5.617 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)c(C)cc3C)S2)c(C)c1 408721718 XMXDKAQWXWQZIC-ODLFYWEKSA-N 350.487 5.120 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(C)c(C)c3)c2c1 408779649 ZZXKSDUYCJYRFU-MYYYXRDXSA-N 354.453 6.211 30 40 FKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(Br)cc1 408784821 TVZSBDIOBMMEMK-UUYOSTAYSA-N 371.253 5.746 30 40 FKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)cc1 409200887 JYZWKHOJYXBGLC-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 409219035 ZXTLHLLVBULPRE-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB Cc1ccc(Sc2ccc(NC(=O)c3cccc(C#N)c3)cc2)c(C)c1 12568683 NNDQASBZHMAMJQ-UHFFFAOYSA-N 358.466 5.579 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242210 UMLWMMAIJLHWPK-YZSQISJMSA-N 358.529 5.971 30 40 FKEB C=CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 27533483 KWNHQMMCWWMHRR-BOPFTXTBSA-N 373.271 5.343 30 40 FKEB C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 35200316 GSGKPHASZFQQSA-XHPQRKPJSA-N 364.452 5.134 30 40 FKEB CCCCCCCCCCCCCCCCN/C(C)=C\C(=O)OCC 100842031 PWFBYIMDOLWXAR-MRCUWXFGSA-N 353.591 6.524 30 40 FKEB Cc1ccc(/C=C2\CCC[C@H]([C@H](NO)c3ccc(C)cc3)\C2=N\O)cc1 102934953 HWQOPKDWYTZYLY-JOAIZLJRSA-N 350.462 5.037 30 40 FKEB Cc1ccc(Sc2ccc(/C=C3/Sc4ccccc4C3=O)cc2)cc1 408536093 YBVBZLOEGYEPAP-KGENOOAVSA-N 360.503 6.476 30 40 FKEB N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 408595772 NYJFJDKMMYBXPE-WSDLNYQXSA-N 368.845 5.507 30 40 FKEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 408737716 FVMTXBZOQORFRY-CIAFOILYSA-N 353.809 5.406 30 40 FKEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 409095481 HPNIBZXCSXCILV-IUXPMGMMSA-N 353.603 5.070 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409200950 KOXMBHHZKKSEHS-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 4523590 GYSXFOOKGLKFLK-MFKUBSTISA-N 372.375 5.169 30 40 FKEB CCSc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 4585774 IBNUVIIJERBTSA-UHFFFAOYSA-N 365.483 5.046 30 40 FKEB Cc1ccc(/N=C/N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 5698523 OSPNPDWDEMOZFH-HZHRSRAPSA-N 373.412 5.218 30 40 FKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(OCC)cc1 6941614 KBRNSGBSTTXVMJ-DEDYPNTBSA-N 362.267 5.387 30 40 FKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC 8110002 OCHHDYGAFDSEOE-OEAKJJBVSA-N 367.832 5.900 30 40 FKEB Cc1cccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2cccc(C)c2)c1 16348914 QBXKSJAFDKGHCY-RDKXOKGESA-N 357.284 6.220 30 40 FKEB COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 33376652 VPKGSTRWJBWEDN-SQFISAMPSA-N 374.436 5.179 30 40 FKEB CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC 95703909 NJMAFLHPUNGKOD-UHFFFAOYSA-N 362.510 5.941 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 408738260 SWNYKOIYFAWJGZ-MFKUBSTISA-N 364.920 6.796 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc4ccccc4c3)cc2)cc1 409233525 SROAGNQOPNHEIF-UQQQWYQISA-N 353.490 7.050 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc(O)cc1 4235618 KXFSYINGMYFMQP-JOCHJYFZSA-N 369.464 5.746 30 40 FKEB biogenic CCc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 5509623 PWWYPCNKVJGHDI-UHFFFAOYSA-N 360.486 5.352 30 40 FKEB O=C(/C=C/Nc1cccc(N/C=C/C(=O)c2ccccc2)c1)c1ccccc1 5740986 MTAMMCJPXBEYDR-YXLFCKQPSA-N 368.436 5.304 30 40 FKEB N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCCCCCCCC2 16492381 PQDKEYUZDLBFIN-UHFFFAOYSA-N 357.501 5.899 30 40 FKEB Clc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1 67317278 WJUWFPPEVSORAV-BUVRLJJBSA-N 357.844 5.943 30 40 FKEB CCCCCCCCCCC[C@@H]1CC(=O)[C@H](CCCCCC)C(=O)O1 97978723 TYBPYMSSRRRYRQ-UXHICEINSA-N 352.559 6.379 30 40 FKEB in-vitro COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225798941 FJKHCDXWYISRSV-UHFFFAOYSA-N 374.525 5.009 30 40 FKEB Cc1cc(C)c(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)c(C)c1 408593532 ARMSANVESALAOQ-VULFUBBASA-N 371.484 5.442 30 40 FKEB Clc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 409215568 BIEFRLUFKMGDNA-WGOQTCKBSA-N 371.867 6.823 30 40 FKEB O=C(/C=C/Sc1ccc(Br)cc1)c1ccc(Cl)cc1 1039026 ATRVPZMUYBKYJW-MDZDMXLPSA-N 353.668 5.591 30 40 FKEB N#C/C(=N/Nc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1 4712320 BYRKPKKGRSNWTF-HAHDFKILSA-N 373.268 5.457 30 40 FKEB CCN(CC)CCC[C@H](C)/N=C(\Nc1ccccc1)c1ccc(Cl)cc1 5839573 GAFACWGMDHCBHZ-SFHVURJKSA-N 371.956 5.709 30 40 FKEB C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc(Cl)c(F)c3)c3cccc1c32 12406294 KMDCRCLFKWVYFA-ZBEFAGPWSA-N 356.828 5.232 30 40 FKEB CCCCCCCCCCCCCCCC[C@@H](C(=O)O)S(=O)(=O)O 59726488 XQITUXIEASXIMZ-KRWDZBQOSA-N 364.548 5.199 30 40 FKEB CCCCCCCNCc1ccc(OCc2ccccc2C)c(OC)c1 102565164 WGKSAFJDKCZFSR-UHFFFAOYSA-N 355.522 5.643 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1C 409219000 ZLCFOHDXLPKTPD-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CC[C@H](C(=O)C=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2049241036 MDGSZSJIRYOQHA-RPUPUWCGSA-N 356.506 5.299 30 40 FKEB N#Cc1c(SCc2ccc(F)cc2)nc2c(c1-c1ccccc1)CCCC2 2188379 GDPABNNAKMWHDZ-UHFFFAOYSA-N 374.484 5.930 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc(F)cc1 4235615 AHYNWWTWJFIDFG-JOCHJYFZSA-N 371.455 6.180 30 40 FKEB biogenic COc1ccc(/C=N/c2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1 4460280 IFWAMOCVNNQRSX-GZNOWRBOSA-N 359.400 5.481 30 40 FKEB biogenic CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 5550993 AFCXAFHOIPQGEF-AQTBWJFISA-N 370.905 5.574 30 40 FKEB CCOc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 6962624 IDVKWMYYXPPLJG-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB Cc1nc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)sc1C 9553378 SDMQLJBIWBHLQG-SRZZPIQSSA-N 371.893 5.438 30 40 FKEB O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C\c1ccc(Cl)c(Cl)c1 31871350 IMLOAMSUXFEQKT-RWPWKDLBSA-N 359.252 5.919 30 40 FKEB CCN(CC)c1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 59503587 CYCLSURQKDXOIO-YZSQISJMSA-N 369.512 5.804 30 40 FKEB Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)c1 225856614 OGTUOACNCPFCJD-UHFFFAOYSA-N 370.283 5.196 30 40 FKEB FC(F)(F)c1ccc(N/N=C\c2ccccc2OCc2ccccc2)cc1 408931547 NAJNMSVPYJKRDD-QFEZKATASA-N 370.374 5.730 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)cc1 409233063 DBZWKDXUTWROOS-QRVIBDJDSA-N 372.320 7.204 30 40 FKEB COc1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 802270 SZHQYEKKLKQAFE-FSJBWODESA-N 362.360 5.099 30 40 FKEB N#Cc1c(-c2ccc(OCc3ccccc3)cc2)c2c([nH]c1=S)CCCC2 841787 JFXATRAXHXEOCN-UHFFFAOYSA-N 372.493 5.741 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1 1240728 BMOALXSFLKYPSQ-HXUWFJFHSA-N 352.865 5.562 30 40 FKEB O=C(/C=C/Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 4674558 VKEOJJLZHMYYDJ-OUKQBFOZSA-N 351.808 5.955 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccc(F)cc1 5007381 BZHLMTRMEIEVLC-NTUHNPAUSA-N 362.400 5.309 30 40 FKEB CCOc1cc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)ccc1O 100223687 JBSRWPHTZPUVQR-ZVHZXABRSA-N 358.441 5.062 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 216848180 QILCYTUSSORKJM-UHFFFAOYSA-N 355.192 5.054 30 40 FKEB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C#N)C1 997352 VAFYBMBZYSRZGA-AORWBKJGSA-N 370.905 5.440 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(OCC=C)c1 3660956 LMWVKROBNHHAJZ-LPYMAVHISA-N 362.256 5.874 30 40 FKEB Brc1ccccc1/C=N/N(Cc1ccccc1)c1ccccc1 4920882 BYLNTMNKPGILPT-PXLXIMEGSA-N 365.274 5.490 30 40 FKEB CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 5607390 OCQIHCQWTNQBRD-UHFFFAOYSA-N 366.877 5.443 30 40 FKEB O=C(/C=C/c1ccccc1C(F)(F)F)c1cccc(Br)c1 6338150 BBQMXIZVBOCEBW-CMDGGOBGSA-N 355.153 5.364 30 40 FKEB COc1ccc(-c2sc(/N=C/c3cccs3)c(C#N)c2C)cc1OC 17025271 UBAXBQHDFYXWJO-SRZZPIQSSA-N 368.483 5.425 30 40 FKEB CN1/C(=C\C(=O)COc2cccc3ccccc23)C(C)(C)c2ccccc21 17783903 MAWGSFIKNXGPIB-HAHDFKILSA-N 357.453 5.099 30 40 FKEB C=CCOC(=O)c1ccc2nc(-c3cccc(Br)c3)sc2c1 73635147 LOWJOOYCPCQDNX-UHFFFAOYSA-N 374.259 5.069 30 40 FKEB CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(C)c(Cl)c1 102879236 CNCLFLDZTKGWEX-NJNXFGOHSA-N 374.875 5.357 30 40 FKEB Cc1cc(/C=N\c2cccc3cccnc23)c(C)n1-c1ccc(N(C)C)cc1 408740176 JCYUOUGNROXORG-QQXSKIMKSA-N 368.484 5.459 30 40 FKEB COc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 409024478 YTZGALUPSHSRLD-UDWIEESQSA-N 359.903 6.312 30 40 FKEB Cc1ccccc1-n1c(C)cc(/C=N\c2sc3c(c2C#N)CCCC3)c1C 409067468 YFWPDSLPKKWOIN-QFEZKATASA-N 373.525 5.965 30 40 FKEB C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1ccc(OCC)cc1 1466383 OZALQAKQZKGDRP-UHFFFAOYSA-O 367.494 5.040 30 40 FKEB C=CCNc1nc(-c2ccccc2)c(C(=O)Nc2ccc(C)c(C)c2)s1 1895093 YNHQYKJBBZJULI-UHFFFAOYSA-N 363.486 5.277 30 40 FKEB CCN(CC)c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1 3243855 KMXMWTWCMDZJJY-XIEYBQDHSA-N 371.484 5.110 30 40 FKEB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1C[C@@H]3C#N 4720798 FILZRTOLEMCSFG-OOBBILSLSA-N 355.522 5.426 30 40 FKEB COc1ccc(N(Cc2ccc(C)o2)/C(S)=N/c2ccccc2)cc1 5553580 TUVXCHQZJCILCY-UHFFFAOYSA-N 352.459 5.221 30 40 FKEB Cn1c2ccccc2c2cc(/C=N/Nc3cccc(C(F)(F)F)c3)ccc21 6827969 PNNXDZUMEJFOHC-DHRITJCHSA-N 367.374 5.796 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 8116635 UAJDBFVEUQATOB-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 21722449 YARIMRFAKUAHDK-HSZRJFAPSA-N 360.501 5.631 30 40 FKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccc(F)cc1 33323591 GTHYBNAZZXVGPN-MDWZMJQESA-N 367.232 5.024 30 40 FKEB CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 677607 GIVZHNSYSDUPLR-RUZDIDTESA-N 369.464 5.912 30 40 FKEB CCCCCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3 3228257 MRXPFFWTQRIUJH-UHFFFAOYSA-N 364.580 5.750 30 40 FKEB Cc1ccc(-c2cc(/N=C/c3cccc(F)c3)n(-c3ccccc3)n2)cc1 4675556 RYASTVGIFBKYPE-PCLIKHOPSA-N 355.416 5.737 30 40 FKEB CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 5501734 FFUBPVINAPCGBL-KEBDBYFISA-N 351.233 5.188 30 40 FKEB N#CCc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 14198849 ITBNDXPYCPILMS-NRFANRHFSA-N 358.466 5.225 30 40 FKEB CN(C)c1ccc(/C=N/CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 100253454 BYYQXUOKLFCTPP-XSICDPOBSA-N 364.533 5.089 30 40 FKEB C=CCc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1OC 216460501 AAJATOXDAMSVSO-DEOSSOPVSA-N 371.480 5.252 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 226332684 MOXFLGKVJSJUAM-UXBLZVDNSA-N 363.240 5.315 30 40 FKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409088490 FSBZXKMZLLIWBS-GCMSVZMUSA-N 366.530 5.920 30 40 FKEB Cc1cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(O)c([N+](=O)[O-])c1 3184639 ZAHWRTBPYMPCLS-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc2c(c1)Nc1ccccc1S2 5158203 NOHASVSMAHSXMD-ZVHZXABRSA-N 361.474 5.138 30 40 FKEB Cc1cc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)ccc1Cl 17004643 KUYWXRYNHMGPBH-HKWRFOASSA-N 360.840 5.798 30 40 FKEB N#Cc1ccc(F)c(CN2CCCC[C@@H]2c2nc3ccccc3s2)c1 25436386 NDIHPNWAWFYZLT-GOSISDBHSA-N 351.450 5.034 30 40 FKEB O=[N+]([O-])[C@H](c1ccccc1)[C@H](C/C(=N/O)c1ccccc1)c1ccccc1 38799278 SCTWZSDTEFFVCK-DUCINKFISA-N 360.413 5.057 30 40 FKEB O=C1c2cc(Cl)ccc2-c2ccc(/N=C/c3ccccc3Cl)cc21 100362560 OMEKUCJMNAZLBG-FOKLQQMPSA-N 352.220 5.955 30 40 FKEB CSc1ccccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408778740 XYWCOYZWMLXMJL-FYJGNVAPSA-N 365.458 5.475 30 40 FKEB O=C(O)c1ccc(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 408915504 WNORYTYDDHOZQU-FBHDLOMBSA-N 360.196 5.702 30 40 FKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409053349 JAEOQJKTUGZFCH-ATVHPVEESA-N 371.845 5.146 30 40 FKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCC 409134978 QKTCXMBVBZIGQW-UHFFFAOYSA-N 359.897 5.786 30 40 FKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/N1[C@@H](C)CCC[C@@H]1C 3361731 QITSIAKIBCHYGU-CTRIVLPBSA-N 365.308 5.084 30 40 FKEB O=C(/C=C(\CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 4369264 NANWSEVCANCKJF-XMHGGMMESA-N 362.375 5.504 30 40 FKEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(-c3ccccc3)cc2)cc1 4754830 SNGFOGOQMDVBJC-HAHDFKILSA-N 370.481 5.091 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 5901876 QBYQPNPPUJBKPD-GFCCVEGCSA-N 356.466 5.162 30 40 FKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1ccc(-c2ccccc2)n1 39315334 CFQJHTVZRGNEAL-UHFFFAOYSA-N 360.232 5.115 30 40 FKEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C 44086835 QJLOYGQREGMYGA-UHFFFAOYSA-N 351.431 5.034 30 40 FKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 72229731 PXULSDVGBJTQFX-XKZIYDEJSA-N 352.463 5.055 30 40 FKEB CCCCCCCCCCCCCCCCCC[C@H](NC(C)=O)C(=O)O 100307780 GYGGRXQCNOXQNG-NRFANRHFSA-N 369.590 6.227 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1C 409211370 NOPIYYVAWHWZLK-DHRITJCHSA-N 367.851 6.426 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(Br)cc1 2286261 YVQFCYXODHASLS-RGVLZGJSSA-N 374.669 5.347 30 40 FKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(C)cc4[C@H](C)CC3(C)C)cc1 2354281 XBNRUBQIOOKRAN-YWNOGDAOSA-N 362.473 5.147 30 40 FKEB Cc1cc(O)c(/C=N/c2cc(-c3ccccc3)ccc2O)c(C)c1Cl 3033543 WIHZVEDXOBHMJZ-FSJBWODESA-N 351.833 5.786 30 40 FKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 8116505 KNANELPDJLLXIY-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB Cc1ccc(C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)NC2=O)cc1Cl 11690449 NMJBUBVSZSKVAZ-SFHVURJKSA-N 372.921 5.234 30 40 FKEB CN(C)CCC(/C=C\c1ccccc1)=N\Nc1ccc(Cl)c(Cl)c1 17194734 YUKBHICVLDHULH-HIARPEJZSA-N 362.304 5.426 30 40 FKEB CCCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CCCC 19832276 CJCBMYRJKBWTAB-UHFFFAOYSA-N 351.494 5.286 30 40 FKEB Cc1nn(Cc2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12 95483044 WDWKFYQWSLFREM-ZVHZXABRSA-N 355.441 5.158 30 40 FKEB CCCCCCCCc1ccc(OCCOCC[N+](C)(C)CC)cc1 104177256 BZCWPYPWUGSEIS-UHFFFAOYSA-N 350.567 5.081 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)Cc1c[nH]cn1 104190400 WLRXCSUEKPRYJZ-UHFFFAOYSA-N 350.615 6.467 30 40 FKEB N#Cc1cc(N)c(Sc2ccccc2)n1Cc1cccc2ccccc12 225888058 AOYNZCUDSXRIIT-UHFFFAOYSA-N 355.466 5.295 30 40 FKEB COc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1 409213553 SDPNQTLHFCZANV-ONUIUJJFSA-N 367.448 6.178 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1 1095773 FPVGOJPSUFXSDC-CYBMUJFWSA-N 356.491 5.315 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 4863507 TVCQUJUCPJCZQI-BUHFOSPRSA-N 356.450 5.497 30 40 FKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(OC)c1 5477645 VZZJSGNHNZKLII-UHFFFAOYSA-N 371.893 5.085 30 40 FKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCc1ccc(C)cc1 12648792 RNLVXPFAONWDLS-UHFFFAOYSA-N 371.509 5.831 30 40 FKEB CCCCCCC(=O)/C=C\c1cccc(OCc2ccc(Cl)cc2)c1 17123716 SQTQTVBHUBEHGX-QINSGFPZSA-N 356.893 6.472 30 40 FKEB N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44085359 OSJKDFFURYADLQ-UHFFFAOYSA-N 360.269 5.462 30 40 FKEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 408759087 XQECFBXDTJRZOI-MTJSOVHGSA-N 353.809 5.406 30 40 FKEB Cc1cc(/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc([N+](=O)[O-])c1C 408770882 BXCDUICXIHSVJW-FMCGGJTJSA-N 365.408 5.509 30 40 FKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2cccc(F)c2)c1 409213015 NXKIPXFVRZXIKT-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB N#Cc1cccnc1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 14077582 OQCFSQUVXXYWQC-UHFFFAOYSA-N 354.438 5.162 30 40 FKEB CCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCC 16052461 SADUZRTZUBZVBK-UHFFFAOYSA-N 370.574 6.354 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 408692643 RLKDHZCKUCGNDL-ZRDIBKRKSA-N 363.888 6.260 30 40 FKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 408907237 AFRJKWKHYKHTMG-GMWKTFMCSA-N 364.514 5.706 30 40 FKEB Fc1ccc(C(F)(F)F)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250492 UNYISHZKXFMIJO-UHFFFAOYSA-N 360.175 5.934 30 40 FKEB N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br 833865 GRHYYXKLNQYSDD-UHFFFAOYSA-N 353.194 5.189 30 40 FKEB aggregator COc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4s3)cc2)c1O 1443992 DVPQVVPSDAPFJE-YDZHTSKRSA-N 374.465 5.737 30 40 FKEB C=CCOc1ccc(CNc2ccc(Br)cc2)cc1OCC 4661533 HOSRDKYFAYKRMV-UHFFFAOYSA-N 362.267 5.025 30 40 FKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4802619 UGWNKYKPHMNJKO-ZLHBDVJSSA-N 365.517 5.493 30 40 FKEB N#Cc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 5456380 IUDPQNDMIYASTN-UHFFFAOYSA-N 368.392 5.136 30 40 FKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6157465 LSDIZJMRQYWWOD-CSKARUKUSA-N 351.189 5.100 30 40 FKEB S=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 18193556 NZMXBTYRQWCQMS-IKJQKJQYSA-N 373.506 5.985 30 40 FKEB CCCCCCCCc1ccc(/N=N/c2ccc(OCCCC)cc2)cc1 68568994 CTFMNFZNAWBAKO-OCEACIFDSA-N 366.549 8.184 30 40 FKEB CCn1c(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc21 408692559 PIIHUKBJZZQBFX-LPYMAVHISA-N 364.836 5.416 30 40 FKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccco1)CCCC2 1514389 NXWXMQVFWJKRNI-UHFFFAOYSA-N 374.465 5.067 30 40 FKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(C)cc4[C@@H](C)CC3(C)C)cc1 2354285 XBNRUBQIOOKRAN-HNZYNWIWSA-N 362.473 5.147 30 40 FKEB O=C1C(c2ccccc2)=C(Nc2cccc(C(F)(F)F)c2)c2ccccc21 2504473 GTURXNYXSZGHPB-UHFFFAOYSA-N 365.354 5.882 30 40 FKEB Oc1cccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 3961012 ZKXRQTQCFCBADS-HZHRSRAPSA-N 371.465 5.629 30 40 FKEB CCCCOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 12525038 QRKMBJCWOKKGLX-OEAKJJBVSA-N 353.853 5.513 30 40 FKEB COc1cccc(N/C=C/c2onc(-c3c(F)cccc3Cl)c2C#N)c1 100373527 NCPKCMWTAIZAPK-CMDGGOBGSA-N 369.783 5.097 30 40 FKEB C=CCc1cc(/C=N\c2ccccc2Br)cc(OCC)c1O 408845877 LZVJVDMXESFWLI-NDENLUEZSA-N 360.251 5.033 30 40 FKEB Oc1c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc2ccccc12 409100895 VVHVVFZTRHBUJE-MFKUBSTISA-N 373.839 6.742 30 40 FKEB N#Cc1ccccc1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 851165 OPUPCZBICYCCMB-UHFFFAOYSA-N 368.461 6.173 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 2272685 KQABLQXIBNZVLX-UHFFFAOYSA-N 368.473 5.848 30 40 FKEB Cc1cc(N/N=C/c2ccc(Cl)cc2)c2cc(Br)ccc2n1 5217782 FPQOCIYPBQHZSB-KEBDBYFISA-N 374.669 5.405 30 40 FKEB COc1ccc(/N=C2/S/C(=C\c3cccs3)C(=O)N2CC(C)C)cc1 13858360 NVTXFIZIPZQLGF-GDOHLEIWSA-N 372.515 5.017 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219811145 MKUABXQGLGSJEE-INIZCTEOSA-N 353.531 5.753 30 40 FKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408756949 UXBIQMRNSCQYGM-YDZHTSKRSA-N 352.865 5.815 30 40 FKEB Cc1cc(/N=C\c2ccc(N3CCCCC3)cc2)ccc1Br 408847099 PEGVKKQESYKKOO-STZFKDTASA-N 357.295 5.498 30 40 FKEB Brc1cc(/C=N\Nc2ccccn2)oc1Sc1ccccc1 408995741 DMQJTEDJQHSUEO-ODLFYWEKSA-N 374.263 5.034 30 40 FKEB C/C(=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)o1 4567444 NMIKFJVONSKILC-ONUIUJJFSA-N 366.420 6.527 30 40 FKEB CC(=C/[C@@H]1C=CCCC1(C)C)/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5328206 YORFVAYQXZSQLJ-UVFWEBEWSA-N 372.425 5.230 30 40 FKEB C=CCCCCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6613893 YAVAZIQWNBLXRD-UHFFFAOYSA-N 362.728 6.892 30 40 FKEB C#CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Br 8277853 ASBCAHSNMZBFED-RGVLZGJSSA-N 362.654 5.174 30 40 FKEB CCCCCCCCCCCCCCCCCc1csc(=S)s1 101463176 JLYAOFBZLYGGHN-UHFFFAOYSA-N 372.709 8.953 30 40 FKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c(C)c1 409104200 BTPXBQMSNBKGLU-UCQKPKSFSA-N 351.902 6.859 30 40 FKEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(Cl)cc1)CC2 642431 RLSHIPMJOSPBCL-UHFFFAOYSA-N 358.832 5.015 30 40 FKEB CCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 4923990 LPUCSWUIQKZVPS-LSHDLFTRSA-N 372.774 5.212 30 40 FKEB Cc1sc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C 9142106 KMPRHHSANFLSQP-UHFFFAOYSA-N 356.834 5.402 30 40 FKEB O=C(/C(=C\c1ccc(Br)cc1)c1ccccc1)c1ccccc1 17197438 WQNNOPQBZXKJGU-HKWRFOASSA-N 363.254 5.873 30 40 FKEB COc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1OC 20242182 JRYXYPFRPIBGMD-HZHRSRAPSA-N 363.482 5.747 30 40 FKEB CCCCCCCCCCCCCCCCCC/N=C/c1ccccc1O 100287989 DRNHFYUTXHIEFC-WNAAXNPUSA-N 373.625 8.073 30 40 FKEB C#CCO[C@H](C)n1ccc(CCCCCCCCC)c1-c1ccccc1 103009043 RAGIXSPNPGAXAK-OAQYLSRUSA-N 351.534 6.617 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 103390002 QMGWPHKTOVSBIY-NZBIDNSVSA-N 368.912 5.455 30 40 FKEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)cc1C 225885978 YRRWPXOOFLNSNH-UHFFFAOYSA-N 367.452 5.553 30 40 FKEB COc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(C)cc2)cc1 409241937 ZLCVCOHKOCOPFP-OEAKJJBVSA-N 367.901 6.559 30 40 FKEB Cc1ccc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)s1 1005389 BMRHKXJVOHXEDX-CIAFOILYSA-N 354.862 5.713 30 40 FKEB COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1O 1413056 HWLGFGPVNBIKRF-CHOFVFFHSA-N 368.502 5.236 30 40 FKEB COc1ccc(C(=O)N2CCCS/C2=N\c2ccccc2C(C)C)cc1 3223877 GZTBJJIBPMRJNX-DQRAZIAOSA-N 368.502 5.085 30 40 FKEB O=c1oc2c(ccc3ccccc32)c(O)c1/C=N/c1cccc2ccccc12 5450693 BEWPESBLLWQECF-AFUMVMLFSA-N 365.388 5.556 30 40 FKEB C/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 5480223 RXTMLXCNYKURKD-BUVRLJJBSA-N 370.880 6.360 30 40 FKEB Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)cc1 8733592 LDGNVZFAJKXWGE-UHFFFAOYSA-N 355.224 5.196 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 59104358 KQWXKWZKBLQFTB-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)o3)cc2)cc1 59138166 SHVRIGXLJACPBK-XQNSMLJCSA-N 362.429 5.431 30 40 FKEB C#CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635348 YEWVPLWHVCJHMG-UHFFFAOYSA-N 362.237 5.060 30 40 FKEB CC1(C)C[C@H]2C[C@@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1 103573357 JULVZMSKTWYPIV-ICOFYABRSA-N 355.551 5.449 30 40 FKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 408722701 DRTGWFKUXPCUSX-AFUMVMLFSA-N 374.440 5.496 30 40 FKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3nc(C)ccc3c2)c1 1029780 ZLASLYJIBJKZAU-KEBDBYFISA-N 355.235 5.070 30 40 FKEB Cc1ccc([C@@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)o1 6267611 RIOYRLGRVGTGIU-MRXNPFEDSA-N 373.496 6.270 30 40 FKEB C=CCn1c(C)cc(-c2csc(NCc3ccccc3OC)n2)c1C 6851933 CWYXWPKPPZRXHK-UHFFFAOYSA-N 353.491 5.035 30 40 FKEB Cc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(C)cc2)cc1 16291450 TUWVIQKGXDUDNE-ZGWMJANWSA-N 357.284 6.220 30 40 FKEB c1ccc(/N=C(C(=N\c2ccccc2)\c2ccccn2)/c2cccnc2)cc1 18130426 WBLGQIWXZJULKS-VRQWBOTBSA-N 362.436 5.418 30 40 FKEB Clc1ccc(Cl)c(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)c1 33897506 ZEXCXTZLDSKQBP-FBHDLOMBSA-N 371.227 5.576 30 40 FKEB CCCCCCCCCCC[C@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC 44360694 RSOUWOFYULUWNE-ACRUOGEOSA-N 354.575 6.170 30 40 FKEB in-vitro Cc1ccc(/N=C/c2ccc(N3CCCC3)c(C)c2)c(Br)c1 59105085 PAVFOZBYOXZEED-FYJGNVAPSA-N 357.295 5.417 30 40 FKEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c(Cl)cccc1Cl 95947847 FJQOSHKBYUSBDW-UHFFFAOYSA-N 367.235 5.041 30 40 FKEB CCCCCCCCCCCCC/C(=N\O)c1cc(OCC)ccc1O 100954894 KIKJVYBGCRTRAP-XTQSDGFTSA-N 363.542 6.670 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(Cl)c3)c2C)cc1 408737597 DSOJBNIWLSSTPW-FSJBWODESA-N 357.284 6.460 30 40 FKEB C[C@@H]1CCc2sc(NC(=O)c3cccc(C(F)(F)F)c3)c(C#N)c2C1 1518442 PTOZPCPQBDHQGJ-SNVBAGLBSA-N 364.392 5.016 30 40 FKEB CCN(CC)c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 2059551 ZMFARMQRQKXROF-XIEYBQDHSA-N 358.485 5.862 30 40 FKEB CCCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1C 2316132 MQNKLVRCHKVERO-UHFFFAOYSA-N 366.530 5.757 30 40 FKEB Cc1ccc(C)c(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)c1 4815357 HLJKUFBQHAAKDN-SSDVNMTOSA-N 364.401 5.293 30 40 FKEB Clc1ccccc1CN/N=C/c1cccc(OCc2ccccc2)c1 8811595 FAYDAHPLKHWVQA-OEAKJJBVSA-N 350.849 5.043 30 40 FKEB Cc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 9575765 GWXFVHVIERTLRE-WWFWFNCGSA-N 368.432 5.703 30 40 FKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)o1 58826239 USDIEKSDNACNQS-XKZIYDEJSA-N 370.518 5.341 30 40 FKEB Clc1cc(Cl)c(N/N=C2/CCCCc3ccccc32)nc1Cl 96708693 JDQHMWBFJSSDKJ-STZFKDTASA-N 354.668 5.584 30 40 FKEB CCCCCCCNC(=O)CCCCCCCCCCSCCCC 101673539 UEZDCJRSVYMFJJ-UHFFFAOYSA-N 371.675 7.117 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225848871 RKVDOIOWWDMYDF-QFIPXVFZSA-N 374.525 5.297 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ccc4ccccc4n3)c2C)c1 408763736 JVEJDRFXLJLWQI-BUVRLJJBSA-N 354.457 5.397 30 40 FKEB Cc1ccc(C)c(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)c1 408911998 PIZAMWZYNHECAQ-XKZIYDEJSA-N 362.433 5.065 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2cccc(Cl)c2C)cc1OCC 409110315 BNVOBBFJHRUJKD-UHFFFAOYSA-N 371.908 5.953 30 40 FKEB C=CCc1ccc(Oc2nc(C)nc3sc4c(c23)CCCC4)c(OC)c1 948522 JPHZLPCSJYFJKI-UHFFFAOYSA-N 366.486 5.408 30 40 FKEB Cc1ccc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1 1080625 MERYMFYEUXWOLK-QGZVFWFLSA-N 365.498 5.220 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccccc1 5302880 RODMECCMEPWLPM-JOCHJYFZSA-N 353.465 6.040 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1Cl 8277755 CYXQKXVLYZULKN-UFFVCSGVSA-N 352.648 5.718 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1 12576003 KJODFTVZFFBYBB-JLHYYAGUSA-N 374.440 5.636 30 40 FKEB C=CCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795305 QMUOMRMPEBMJGX-UHFFFAOYSA-N 367.832 5.345 30 40 FKEB Cc1ccccc1-c1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2o1 95482069 ICJVXJQCQDPRAJ-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB C=C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 97949831 PUTFFSRJABOVAD-ONEGZZNKSA-N 372.124 5.673 30 40 FKEB in-vitro CCCCCCCCNCc1cccc(OC)c1OCc1ccccc1F 102562030 ZVKYOEDGABGXDA-UHFFFAOYSA-N 373.512 5.863 30 40 FKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(C2CCCCC2)c1C 408740587 LQVPMROIUVQVSK-LPYMAVHISA-N 373.338 6.432 30 40 FKEB CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 408854076 XBFBWESRZSTASK-HMAPJEAMSA-N 352.821 5.058 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1 409102367 SHVWTNGVIDUFHW-WUKNDPDISA-N 373.452 5.858 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)c(C)c1 409212420 PVJNUOKGVGJZTF-PKAZHMFMSA-N 365.476 6.786 30 40 FKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccc(F)cc1 3133680 ADSNDNCVXGLXIV-UHFFFAOYSA-N 374.362 5.929 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 8371973 MBIHNWZJJJTNKD-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB CC(C)Oc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl 8811585 IMPISEDPRCFAKO-ZVHZXABRSA-N 352.865 5.404 30 40 FKEB C[C@@H](NC/C(O)=N/C1(C#N)CCCCCC1)c1ccc(Cl)cc1Cl 32906720 LDJOAHXNESYDMF-CYBMUJFWSA-N 368.308 5.217 30 40 FKEB CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC 100997202 KYMPOPAPQCIHEG-UHFFFAOYSA-N 368.606 5.500 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1 103012269 CJUONCQOICJQTQ-JJIBRWJFSA-N 372.940 6.834 30 40 FKEB C=CCOc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 409207665 ZXNYLHGPDSDDND-UHFFFAOYSA-N 358.268 6.324 30 40 FKEB O=C1/C(=C\c2ccccc2Cl)CCCC/C1=C\c1ccccc1Cl 4802191 SHLLNPTZMBSFFR-SIJTWYJSSA-N 357.280 6.604 30 40 FKEB COc1ccc(/C=N/Nc2ccccc2Cl)cc1OCc1ccccc1 4922578 DJHYJWGECNGEJD-OEAKJJBVSA-N 366.848 5.374 30 40 FKEB CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 4981027 DSHSVHWCASAKOS-UHFFFAOYSA-N 360.505 5.391 30 40 FKEB O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1nc2ccccc2s1 5605088 IBUGLWPXDXTUKZ-DKOMLNGNSA-N 358.532 6.054 30 40 FKEB Cc1ccc(N/C(S)=N\N=C\c2ccc(OCCC(C)C)cc2)c(C)c1 13468828 YVKXIXIOAZCNKR-HYARGMPZSA-N 369.534 5.460 30 40 FKEB Cc1sccc1C(=S)Nc1ccc(Cl)c(/C=N/OC(C)(C)C)c1 16958647 CUAFAPWAOHPDIJ-VXLYETTFSA-N 366.939 5.647 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1CCCO1 85923733 GIPDEPRRXIBGNF-CZQLGGELSA-N 366.586 6.746 30 40 FKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccc2)=C(O)C1 98081815 COBPEFBBTXOMCZ-UHFFFAOYSA-N 368.473 5.173 30 40 FKEB CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CC)CC 104110077 FWWQFQXSWHFTPW-UHFFFAOYSA-O 369.658 6.070 30 40 FKEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225054553 QXVTYROPBGYATE-UHFFFAOYSA-N 371.889 5.183 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 408967932 SVCADNZAMZNYRY-PCLIKHOPSA-N 374.484 5.584 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)cc1 409188385 YUUYXTKXGMFJLS-WNIQNGNASA-N 374.528 6.757 30 40 FKEB Brc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 409215890 GETXZDVBQGMQRN-HYARGMPZSA-N 366.258 5.779 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl 409258115 WNCIAEWQSKFKAY-UHFFFAOYSA-N 366.933 5.316 30 40 FKEB CCC[C@@H]1CCc2c(sc(NC(=O)CCCc3ccccc3)c2C#N)C1 649574 JKYLLVBQYDTSAT-QGZVFWFLSA-N 366.530 5.486 30 40 FKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1C 4197287 QEQAOZFJYYPQDK-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB CCCCCCCCCCNC(=S)NCCCCCCCCCC 100070878 KVPJJDWEFYTGMD-UHFFFAOYSA-N 356.664 6.732 30 40 FKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)NCCOCC 104109848 NJMMTCPRUPAXQO-RTWAWAEBSA-N 369.590 5.388 30 40 FKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 408625013 WBOSAUBMUKSSHG-DHZHZOJOSA-N 370.279 6.297 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408776088 LQFNNIWCKOLZBQ-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB CN(C)c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409090513 PTXJMZSDVCZRPY-QQXSKIMKSA-N 374.528 5.677 30 40 FKEB Cc1cc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1F 409232361 OFVVDYUYCHQVKE-WGARJPEWSA-N 360.407 6.027 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 1056159 AHLXYIXTQWZQOU-ZVHZXABRSA-N 370.408 5.340 30 40 FKEB biogenic CCn1c2ccccc2c2cc(/C=N/c3cc(Cl)cc(Cl)c3)ccc21 5328036 UTIMMUAUSNSZSH-ZMOGYAJESA-N 367.279 6.872 30 40 FKEB Cc1sc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 14258575 ZNTIPPUBIJKXIE-UHFFFAOYSA-N 362.454 5.068 30 40 FKEB N#Cc1ccccc1OCc1nc2ccccc2nc1-c1ccc(Cl)cc1 16449173 RHISFKGZIALGAZ-UHFFFAOYSA-N 371.827 5.401 30 40 FKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44085361 UZAIJGKESLQGNB-UHFFFAOYSA-N 361.297 6.124 30 40 FKEB Cc1ccc2c(CC(=O)Nc3ccccc3SCCC#N)coc2c1C 95953535 UDCIVSNXUQFQBK-UHFFFAOYSA-N 364.470 5.237 30 40 FKEB CCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 101005025 GLFKURSYOLGFTI-LFIBNONCSA-N 366.457 5.467 30 40 FKEB C=CCOc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223353737 AGIAWAQDANPYIR-QGZVFWFLSA-N 367.489 5.183 30 40 FKEB CCCCCCCCOc1c(Br)cc(/C=N\O)cc1OC 408538654 BDNINRVCUIYNAR-PDGQHHTCSA-N 358.276 5.005 30 40 FKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 408737500 SRGGDOLOLFAOGS-CIAFOILYSA-N 369.877 5.474 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)(C)C)c3C)S2)cc1 408963557 CGFFFZAQNKWVLD-LDADJPATSA-N 367.518 5.060 30 40 FKEB Cc1cc(/N=C/c2cccn2-c2ccc(O)cc2)ccc1Br 409022953 IWMWOWMJMHPOEQ-UDWIEESQSA-N 355.235 5.004 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 409080630 IUIOUFBCLWSEEM-LVCXCXRVSA-N 367.474 5.430 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[C@@H](C)CC(C)(C)C4)[C@H]3C[C@@H]12 4026796 PYKDCRBJPIRCPQ-YQZGMWGASA-N 373.581 5.059 30 40 FKEB biogenic C/C(=N\OC(=O)Nc1ccc(C)cc1)c1sc(-c2ccccc2)nc1C 4050439 DJGRFGIXZUDKNK-HZHRSRAPSA-N 365.458 5.400 30 40 FKEB C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1 4705106 AUMXVNBFHZNDJP-AFUMVMLFSA-N 355.363 5.604 30 40 FKEB COc1ccc(/C(C)=N/Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1 4923581 QDHJDXRBFOTXHS-UFWORHAWSA-N 359.640 5.197 30 40 FKEB C=CCc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OCC)c1O 59678195 UHVQUWDSFZYYNO-XIEYBQDHSA-N 372.468 5.692 30 40 FKEB CC1(C)C[C@@H]([C@H](CC/N=C/c2ccccc2)c2ccc(F)cc2)CCO1 100726828 WDBMCHUCIZNYQQ-IECMAEKMSA-N 353.481 5.624 30 40 FKEB CCCCCCCCCCCCCC(=O)c1ccccc1OC(F)(F)F 101475697 IIIYXYIEFUUXCB-UHFFFAOYSA-N 372.471 7.469 30 40 FKEB O=C(/C=N\O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 104119845 GFOPCAHBNNNKQR-XYGWBWBKSA-N 366.420 5.658 30 40 FKEB CCCCCCCCCCCCCCCCCC1=N[C@@](CC)(CO)CO1 104326447 ZFRHGYULKOIOBB-QHCPKHFHSA-N 367.618 6.818 30 40 FKEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253505421 OEFVYGZGLIGBOP-PPPTWRCSSA-N 366.549 5.415 30 40 FKEB Clc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 409009955 CQVHNYCYDFHOAS-NDENLUEZSA-N 359.654 5.644 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)CCCC(C)C)[C@H]3C[C@H]12 4043767 RINUGOBJPTXRGQ-UCTHVYFCSA-N 361.570 5.105 30 40 FKEB biogenic C=C[C@@](C)(O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O 4348208 ATQYAMUGIFHJOX-QHGDMDKLSA-N 350.543 5.268 30 40 FKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2ccccc2Cl)NC1=O 4704236 OIDVNWLZUNQMBZ-YVLHZVERSA-N 367.861 5.021 30 40 FKEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 5902701 WJEYWTNCQCVAAM-AWEZNQCLSA-N 368.502 5.032 30 40 FKEB CCOC(=O)c1oc2ccc(/C=N\Cc3ccccc3)c(Cl)c2c1C 100047700 WGJXAVMXYKMIOZ-UUYOSTAYSA-N 355.821 5.190 30 40 FKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccccc1 245229341 UVQJZCDBSITYNI-CWMVGVABSA-N 372.512 5.723 30 40 FKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408709688 VZTQHILRPBTMBD-UHFFFAOYSA-N 360.542 5.180 30 40 FKEB Clc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)cc1Cl 408725681 NOEBMWZMGMSGBS-FBHDLOMBSA-N 371.227 5.576 30 40 FKEB C=CCc1cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)cc(OCC)c1O 408854148 YNBIFRYYXISYHE-XYGWBWBKSA-N 374.484 5.678 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc([C@H](C)CC)cc2)c1C 408961347 RUJNKQUKAPHRTK-OVKKOYPGSA-N 372.556 7.229 30 40 FKEB Cc1cc(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1 575242632 BLPOXIKRKKEQMO-UHFFFAOYSA-N 366.223 5.263 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 3107568 WNLIPBFAERUTMA-UHFFFAOYSA-N 354.446 5.458 30 40 FKEB Fc1ccc(/C(=N\Nc2ccccc2)c2ccc(N3CCCCC3)cc2)cc1 4117189 XUJTXRSPIXTQFV-SOYKGTTHSA-N 373.475 5.681 30 40 FKEB N#Cc1ccc(-c2ccc(/C=N/c3cccc(Br)c3)o2)cc1 4739139 CGJBVIZLWUAIFN-CIAFOILYSA-N 351.203 5.331 30 40 FKEB CC(C)(C)C1=CC(=Nc2ccc(Br)cc2)C=C(C(C)(C)C)C1=O 4859408 NODOBAHKKZPZNA-UHFFFAOYSA-N 374.322 6.049 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 8368038 IEMKADVKUKMDSN-DHRITJCHSA-N 367.851 6.426 30 40 FKEB Cc1ccc(C2=NN(C3=CC(=O)CC(C)(C)C3)[C@@H](c3ccccc3O)C2)cc1 80325293 KWJDSQMXMFBSAF-JOCHJYFZSA-N 374.484 5.125 30 40 FKEB CCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 100848796 UNUDECTYIAXBJT-OBGWFSINSA-N 362.517 6.576 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C#N)C1 102615271 YNILPZPGEHGBTC-LJIGWXMPSA-N 370.562 5.536 30 40 FKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCCN1 104268333 TUHZITOMTKDVLJ-QFIPXVFZSA-N 367.618 6.543 30 40 FKEB CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 118918320 DWXSJAAPPYYVFJ-IPBPPVFFSA-N 360.582 5.575 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223185125 HHXPNNYXPPBBQK-GOSISDBHSA-N 355.503 5.163 30 40 FKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2)c1 409213678 QGDWLRPTJHOREC-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB O=C1S[C@H](Cc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 2362801430 FMSSCNNJTWDSNJ-HXUWFJFHSA-N 358.466 5.701 30 40 FKEB Cc1cc(-c2ccc(/C=N/c3ccc4ccccc4c3)o2)c(C)c([N+](=O)[O-])c1 809170 PXWPSDIEPWBRQV-ZVHZXABRSA-N 370.408 6.375 30 40 FKEB Clc1cccc(/C=N/c2ccc(/N=C/c3cccc(Cl)c3)cc2)c1 2147816 LKMLDXGLFVAYMW-RNIAWFEPSA-N 353.252 6.495 30 40 FKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C 3081475 WHOKABAMOHHJCH-ZVHZXABRSA-N 363.844 5.927 30 40 FKEB Cc1ccc(C(=O)/C=C(\CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 4369270 PRDCILYFTPHPOI-RCCKNPSSSA-N 374.867 6.188 30 40 FKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc2ccccc2c1 4714177 QWNBPIUKRQHJMD-PDGQHHTCSA-N 364.857 5.385 30 40 FKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)cc1 5376985 WSIZRXAFGKXKCG-AQTBWJFISA-N 354.450 5.060 30 40 FKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1O 6958592 DIQPGDCSFGWBHM-DJKKODMXSA-N 368.658 5.266 30 40 FKEB CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1 100307604 FFJWPXULECNYBC-UHFFFAOYSA-N 369.590 5.400 30 40 FKEB C/C(=N\c1cccc(C)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643578 MXKOTKADPSIFTK-KOEQRZSOSA-N 368.436 5.145 30 40 FKEB CCCCO[C@H](C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103539371 JVUFBBZUSNWYRE-QMMMGPOBSA-N 364.248 5.024 30 40 FKEB C=CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 123435300 VXKSEYDZMNUMAZ-SQVYRKCQSA-N 374.565 5.268 30 40 FKEB CC(C)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 140172464 JVQNDAWSJMLLNO-MFKUBSTISA-N 373.452 5.838 30 40 FKEB Cc1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1Cl 408960047 IMHSSEBPUTUNJL-SSDVNMTOSA-N 353.805 5.666 30 40 FKEB O=[N+]([O-])c1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1 1433477 POPIMYCJUFLBSH-LPYMAVHISA-N 350.349 5.064 30 40 FKEB COc1ccc2nc(C)cc(N/N=C/c3ccccc3C(F)(F)F)c2c1 5007005 OCUKTXVDLBPUEQ-FOKLQQMPSA-N 359.351 5.017 30 40 FKEB Cc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 21540237 BOCQFLUBLFRAHM-RGEXLXHISA-N 373.839 6.213 30 40 FKEB C=CCSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087668 MRIMXQUSOZOUJK-UHFFFAOYSA-N 360.404 5.836 30 40 FKEB N#Cc1c(NC(=O)c2ccc(-c3ccccc3Cl)o2)sc2c1CCC2 60526418 SPUXPCYQYSMACR-UHFFFAOYSA-N 368.845 5.274 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(C(C)C)cc4)ccc3o2)cc1 100384151 XJBYXZJPFTVFHC-MFKUBSTISA-N 354.453 6.677 30 40 FKEB CCCCCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 102561737 RNTQSQLNIAISOI-UHFFFAOYSA-N 369.549 6.033 30 40 FKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccccc1 102594484 HIIANFZUEZLRKO-LVWGJNHUSA-N 354.457 5.176 30 40 FKEB CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223568658 NCROMWIPLJAKOQ-DZTFFZQKSA-N 362.561 7.061 30 40 FKEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccccc1Cl 225882429 LWMMUJBKNMEKGK-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB C[C@H](C[C@H](C#C[C@H](C[C@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410098 MFHYGSPZCFBNNN-ZDNVTZCJSA-N 364.662 5.775 30 40 FKEB COc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 6457594 YWBNNYRKGZRSSN-MFKUBSTISA-N 361.485 5.619 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)O 59207670 DIOYAVUHUXAUPX-ZHACJKMWSA-N 353.547 5.567 30 40 FKEB FC(F)(F)C(F)(F)[C@@](F)(Cl)C(Cl)(C(F)(F)F)C(F)(F)F 59478321 HFHDZBVFOMETSD-UWTATZPHSA-N 370.948 5.191 30 40 FKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663871 HUJSEXYVGISURN-HKOYGPOVSA-N 367.489 6.265 30 40 FKEB N#Cc1ccc(COCC2CCN(Cc3cccc4ccccc34)CC2)cc1 75156599 RKOZDOFCLJVHLF-UHFFFAOYSA-N 370.496 5.140 30 40 FKEB O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 107721162 RAIZHLIYZPBMLK-VOTSOKGWSA-N 360.162 5.821 30 40 FKEB Cc1cc(/N=C/c2ccc(N3CCCC3)cc2C)ccc1Br 408959890 HMSGOUOWDVCTDW-FYJGNVAPSA-N 357.295 5.417 30 40 FKEB C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 2177244 ZFTACNVVQVJEFE-JOCHJYFZSA-N 374.415 5.162 30 40 FKEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 11799014 IPGILLIXXLKGPL-ZBKNUEDVSA-N 374.651 5.433 30 40 FKEB CCCC[C@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N\O)C(C)=O 17289694 QXURMVMQUSFRNL-VOKXPGCHSA-N 369.546 5.530 30 40 FKEB COc1cc(/N=N\c2ccc(C#N)cc2)ccc1N1Cc2ccccc2C1 104260802 NUINVVBKGWBJRR-IZHYLOQSSA-N 354.413 5.502 30 40 FKEB Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c(F)c1 409099495 TUHOZRLOQODOBY-FSJBWODESA-N 359.828 6.520 30 40 FKEB CC(C)(C)[C@H]1C/C(=C/c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 585178786 IZTXEWAUTXHSMX-UWZSZBQTSA-N 366.451 6.457 30 40 FKEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2ccccn2)o1 1082676 WPQVXCIDEHHONL-LFVJCYFKSA-N 356.450 6.243 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cs1 4459103 MAFXBSVDQNIJJO-UFWORHAWSA-N 364.257 5.269 30 40 FKEB CCOC(=O)c1oc2ccc(/C=N/Cc3ccccc3)c(Cl)c2c1C 17903320 WGJXAVMXYKMIOZ-WSDLNYQXSA-N 355.821 5.190 30 40 FKEB CCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 18068645 NCUKICSZOYPWEA-HAVVHWLPSA-N 353.462 5.573 30 40 FKEB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCCC2)c1 225679055 DJBUGVZLKRNHQF-UHFFFAOYSA-N 362.473 5.104 30 40 FKEB C#CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226258029 QQDMRCJMCFWZED-GQCTYLIASA-N 355.604 5.096 30 40 FKEB COc1cccc(C=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1O 242548214 LDDVWSFLGVJYJN-UHFFFAOYSA-N 355.478 5.452 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C 409208751 DBIFCHVRONLIQT-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C#N)C1 682833 DFSPHVGLPRNBSG-CYBMUJFWSA-N 356.466 5.162 30 40 FKEB Cc1nc(SCc2csc(-c3ccccc3)n2)c(C#N)c(C)c1C 5172341 CIDLGYCOAHTHPM-UHFFFAOYSA-N 351.500 5.294 30 40 FKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)o1 5258521 RGTHGHCNJPSGBZ-ZHACJKMWSA-N 360.438 5.398 30 40 FKEB CCCC/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1CCCC 5552211 VFXDRRMPAOBHMV-HGRLKPHYSA-N 358.551 5.683 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 5570775 UASHKYUFFWZDNX-LPYMAVHISA-N 362.433 5.065 30 40 FKEB N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccoc2)c1-c1ccco1 18192545 COQKLLCKPSDHAI-FOKLQQMPSA-N 362.772 6.075 30 40 FKEB CCCCCCCCOc1c(Br)cc(CO)cc1OCC 59245847 DUIOTDJGKIATNC-UHFFFAOYSA-N 359.304 5.079 30 40 FKEB CCCCCCCCCCCCCCCCc1ccc(C(C)=S)cc1 101016598 JERRKPHWEKUMTK-UHFFFAOYSA-N 360.651 8.448 30 40 FKEB CCCCCCCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1 101474425 CWKAXGRUZLQWGK-UHFFFAOYSA-N 368.561 7.732 30 40 FKEB CCCCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 102565171 VXODQMZKAGYSTB-UHFFFAOYSA-N 355.522 5.643 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C 108843661 HBJNHROHBMWODL-HACGYAERSA-N 362.926 5.238 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1Cl 409020567 QQGXYRQHEONYJF-GVHCZZSVSA-N 356.680 6.575 30 40 FKEB N#Cc1c(SCc2ccccc2)nsc1SCc1ccccc1 4361469 NDTCMVFMYGDKOQ-UHFFFAOYSA-N 354.525 5.599 30 40 FKEB FC(F)Oc1ccccc1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 4924311 ADRYTIVNNXBTMN-GZIVZEMBSA-N 364.701 5.406 30 40 FKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 13786723 WJNGBUXYQSZJGP-ODLFYWEKSA-N 366.413 5.391 30 40 FKEB O/C(=N\c1nc2c(Cl)c(Cl)ccc2s1)C(Cl)(Cl)Cl 32127571 NTLJDVWLNIJQCL-UHFFFAOYSA-N 364.468 5.561 30 40 FKEB O=C(/C=C/c1ccccc1)c1ccc2ccccc2c1OCc1ccccc1 33376557 POKLBKPZDGJDTP-OBGWFSINSA-N 364.444 6.315 30 40 FKEB Cc1cc(C)c(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c(C)c1 59514429 UGCLOCVZHKMQIJ-YVLHZVERSA-N 356.878 5.157 30 40 FKEB C=CCOC(=O)c1ccc2nc(-c3ccccc3Br)sc2c1 73635150 HHHMWAQQJVUJDJ-UHFFFAOYSA-N 374.259 5.069 30 40 FKEB CCCCCCCn1c(/N=C\c2nc3ccccc3n2C)nc2ccccc21 100744145 HHSQEVRPGIGDQR-ULJHMMPZSA-N 373.504 5.644 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C#N)C1 102173723 YNILPZPGEHGBTC-KCYZZUKISA-N 370.562 5.536 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/C=C/c2ccccc2)C(=O)N1CC 408908460 FABSXKUNSURBFP-DRVRXUTNSA-N 362.498 5.429 30 40 FKEB O=C(O)c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 408931801 QLNKQNIQSJRQAS-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 409008619 YUXHSKPQMMYNKV-WSDLNYQXSA-N 358.272 5.847 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1 409239134 GOLBFCNDAYMCJY-FGVWYHQHSA-N 360.841 5.103 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Br)ccc1O 4898806 FQNBRHPMEPCRGJ-GORDUTHDSA-N 372.045 5.358 30 40 FKEB Cc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 4975290 GVJNCEPBVRHBCM-OEAKJJBVSA-N 373.481 5.630 30 40 FKEB Cc1ccc2c(C)c(/C=C/C(=O)c3cc(Br)ccc3O)oc2c1 5342935 JPVPSVCPMHFIAU-BQYQJAHWSA-N 371.230 5.414 30 40 FKEB CCCC/N=C1\S/C(=C/c2cn(C)c3ccccc23)C(=O)N1CCCC 5520163 ADFYNYPGFZOQDJ-KLPPEWMLSA-N 369.534 5.051 30 40 FKEB O=C(/C=C/c1cccc(Br)c1)c1ccc(Cl)cc1Cl 6224750 BVUMYJFBZZOZMX-QPJJXVBHSA-N 356.046 5.652 30 40 FKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 6962569 JXCSHACYYOBVTQ-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB CSc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)s1 14185355 SYBDCAGJPNISKI-UHFFFAOYSA-N 355.513 5.091 30 40 FKEB N#CCCn1cc(CNc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)n1 96009179 UROLLUCQAITTDS-UHFFFAOYSA-N 371.271 5.383 30 40 FKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(Cl)cc3)cc21 223523770 HHXHOSLVVDSXMN-FMCGGJTJSA-N 359.300 6.376 30 40 FKEB C#CCOc1c(CC=C)cc(CNc2cccc(Cl)c2C)cc1OC 409110569 WPACOKRLQMXNLI-UHFFFAOYSA-N 355.865 5.010 30 40 FKEB C[C@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1ccco1 6571117 PSGFVCYMCCFUKJ-HNNXBMFYSA-N 359.469 5.961 30 40 FKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)c(OC)c1 6642026 ZKBCSHSQJAAWLF-SXGWCWSVSA-N 374.849 5.089 30 40 FKEB C=C(C)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CO1 12581156 OVYOYZJVXLCRTB-LJQANCHMSA-N 362.498 5.284 30 40 FKEB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)cc3Cl)ccc2c1 68755656 DICJBPSIPAEVBS-ZDUSSCGKSA-N 364.832 5.116 30 40 FKEB CCCCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1 97968526 QWFJPWOYGCCZPE-JZJYNLBNSA-N 363.457 5.380 30 40 FKEB Cc1sc2c(c1C#N)C[C@@H]1CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]3[C@@]1(C)C2 253569818 MVAGPIUKXMGVFG-ALPMXVSBSA-N 367.558 5.455 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1Cl 409210635 KLORHDHVKHLQFK-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C=CCNc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N 2082568 KQMDXCJPDYOHES-UHFFFAOYSA-N 365.820 5.044 30 40 FKEB N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1ccc(OCc2ccc(F)cc2)cc1 2571040 WHUHUANHEQPIGS-LZCJLJQNSA-N 374.371 5.355 30 40 FKEB CC(C)CCn1c(/C=N/Nc2nc3ccccc3s2)nc2ccccc21 4115906 NXSKZVIHIBKUPO-FYJGNVAPSA-N 363.490 5.138 30 40 FKEB CCC(C)(C#CC(O)(C#CC(C)(CC)CC)C#CC(C)(CC)CC)CC 4758836 NNNXKHYWJYLGTJ-UHFFFAOYSA-N 356.594 6.207 30 40 FKEB O=C(/C=C/c1ccccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 5773803 TYBFGTDTNLQPED-BUHFOSPRSA-N 359.381 5.070 30 40 FKEB Cc1cccc(N/C(S)=N/N(Cc2ccccc2)c2ccccc2)c1C 8580253 GVQHUFBEOVVCJN-UHFFFAOYSA-N 361.514 5.623 30 40 FKEB C=CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccccc1 28627947 YLCCWBYOLBTXIC-ZFAMVZCKSA-N 354.862 5.130 30 40 FKEB CC1(C)C[C@H]2C[C@](C)(CN2CC#CC[C@](O)(c2ccccc2)C(C)(C)C)C1 100725830 FMISKHXPDOXXJM-TUSQITKMSA-N 367.577 5.214 30 40 FKEB CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)O 100921893 SBZJCXSPPVEWMB-UHFFFAOYSA-N 369.590 6.229 30 40 FKEB CCCCCCCCOc1c(Br)cc(C(=O)O)cc1OCC 315368720 CJOMONRENVWKDE-UHFFFAOYSA-N 373.287 5.285 30 40 FKEB CCCCCCCCCCCOC(=O)c1cccc(N2C(=O)CCC2=O)c1 408721676 KTHAWYVCBTZEAW-UHFFFAOYSA-N 373.493 5.028 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408786783 NOHQZTLBOUYIAX-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB CC/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1cccc(Cl)c1 4871760 DXLBPDJYGHPZMW-RELWKKBWSA-N 359.926 5.564 30 40 FKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1O 6958613 FXIOHOBYTJNLIO-DJKKODMXSA-N 368.658 5.266 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(Cl)c2)cc1 44843131 MHZZYRHBCXSNFN-ZHACJKMWSA-N 364.272 5.981 30 40 FKEB CCCCCCCOc1ccccc1/C=N/Nc1nc2ccccc2[nH]1 100171872 XWQVJGMBHSBLGK-CJLVFECKSA-N 350.466 5.358 30 40 FKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)N[C@@H](C)COC 104109830 SIDPVABXALOZOR-HBMCJLEFSA-N 369.590 5.386 30 40 FKEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408985270 AMOABIHSOMABEC-ATVHPVEESA-N 372.877 5.020 30 40 FKEB C=CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OCC 409117453 RDUDGGMBSOKGRV-UHFFFAOYSA-N 366.288 5.877 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC 409381899 ORMXHTYPHQUDDA-JHAVZTMOSA-N 366.288 6.238 30 40 FKEB N#Cc1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 675799 YVVVUCJZQMRNBJ-UHFFFAOYSA-N 372.902 5.619 30 40 FKEB Cc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)o1 678445 CRRDAXPCCFEKBN-QHCPKHFHSA-N 357.453 6.051 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC3CCCCC3)c2C#N)C1 2752714 STKWMVUFKJQTTO-INIZCTEOSA-N 372.578 6.070 30 40 FKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NC(C)C)cc1 5248866 VSNSRNBQBZNPKJ-UHFFFAOYSA-N 368.484 5.387 30 40 FKEB CCCCCCC(=O)/C=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 5430557 FKXGZFMOJZHDLK-SSZFMOIBSA-N 370.876 6.112 30 40 FKEB COc1cc(C)c(N/C(S)=N\c2ccc(C)c(Cl)c2)cc1OC 8687628 SNPMGCWDYLFJSY-UHFFFAOYSA-N 350.871 5.003 30 40 FKEB Cc1cc(C=O)c(C)n1-c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 16268252 MWYCHSVDECXEDO-UHFFFAOYSA-N 366.420 5.705 30 40 FKEB CCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccccc1 17073731 GZBRHIHYJLXKGG-MNVZFQSXSA-N 356.878 5.354 30 40 FKEB CCOc1ccc(-c2nc(N/N=C/c3ccc(C)cc3)sc2Cl)cc1 67321213 DTBHGFYHFCJDMM-CIAFOILYSA-N 371.893 5.617 30 40 FKEB CC1(C)C[C@H]2C[C@@](C)(CN2CC#CC[C@](O)(c2ccccc2)C(C)(C)C)C1 100725828 FMISKHXPDOXXJM-GPUOULLFSA-N 367.577 5.214 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)cc1C 408740420 KHSATBOQZLFWQV-QQXSKIMKSA-N 352.481 6.615 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3C(=O)OC)c2C)cc1 408765020 VXBJRPGRSYDZBQ-IWIPYMOSSA-N 360.457 5.194 30 40 FKEB CCOc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 408849863 ZWSNRPVQUMWALJ-STZFKDTASA-N 369.262 5.389 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3ccccc3C(F)(F)F)n2)cc1 409055628 ZXEPZDQTUICOOC-LSHDLFTRSA-N 361.392 5.583 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(Br)cn1 3090452 MFEDPECCWKPCBJ-UHFFFAOYSA-N 355.320 5.704 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2nc1-c1ccccc1 3177000 YSCIJIDFVAKDBE-UHFFFAOYSA-N 374.259 5.586 30 40 FKEB C/C(C(=O)c1ccc(F)cc1)=C(/CC(=O)c1ccccc1)c1ccccc1 4452677 NZVUKHMWNUFLAD-OQKWZONESA-N 358.412 5.755 30 40 FKEB CCSc1ccccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 4585702 KQLJPEOZNIDHTE-UHFFFAOYSA-N 365.483 5.046 30 40 FKEB C=C(C)C(=O)OCCCCCCCCCCCCCCOC(=O)C(=C)C 4978354 PYLRGSOFJMYQNO-UHFFFAOYSA-N 366.542 5.906 30 40 FKEB C=CCCCCCCCCC(=O)Nc1cc2c3c(c1)CCCN3CCC2 5160445 GWUWRMGKVYQDKY-UHFFFAOYSA-N 354.538 5.631 30 40 FKEB CC(/C=C/c1ccccc1)=N/OC(=O)COc1ccc(Cl)cc1Cl 5287787 NXWUZTSBFSTHSX-RFAOVZISSA-N 364.228 5.005 30 40 FKEB O=C(/C=C/c1ccc(Br)s1)c1cccc(Br)c1 6338214 ZGVZMYPUQJEYQH-GQCTYLIASA-N 372.081 5.169 30 40 FKEB CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)cc3F)ccc21 7141283 VMWFNGRELIFNLL-UKTHLTGXSA-N 373.427 5.858 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 8084940 ZWXIITCWBSKEKO-PCLIKHOPSA-N 372.468 5.326 30 40 FKEB COc1cccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c1 32639092 SCIYENNKUXAQOZ-FNORWQNLSA-N 357.203 5.100 30 40 FKEB OC1=C(/C=N/Nc2ccc(C(F)(F)F)cn2)CCC/C1=C/c1ccccc1 96401979 RGQIZRJTWRQSDM-WNHWIJTESA-N 373.378 5.578 30 40 FKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl 197513984 IBEDJDXLXYTETO-YDZHTSKRSA-N 352.865 5.815 30 40 FKEB C=CCOc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1 225807449 KZTMRGVNAWUZEY-UHFFFAOYSA-N 368.546 5.294 30 40 FKEB CC[C@H](C(=O)/C=C/c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 245239768 MDGSZSJIRYOQHA-QRTPBVGMSA-N 356.506 5.299 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(C(C)(C)C)cc2)o1 408962897 VSYZTBGMTRTOQT-OYKKKHCWSA-N 361.441 6.001 30 40 FKEB COc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409068850 JKBOUNZEYRSJTM-HYARGMPZSA-N 353.874 6.250 30 40 FKEB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)Cc2ccccc21 409369286 JWEXLAWSZMNNGG-XDHOZWIPSA-N 360.840 5.741 30 40 FKEB C[C@H](C[C@H](C#C[C@@H](C[C@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410119 MFHYGSPZCFBNNN-LRSLUSHPSA-N 364.662 5.775 30 40 FKEB CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1 8323922 CJWDPTTVYOWPAO-JLHYYAGUSA-N 359.429 5.036 30 40 FKEB N#Cc1c(NC(=O)Cc2ccc3ccccc3c2)sc2c1CCCCC2 13972975 CIPYHHMSAOFCOV-UHFFFAOYSA-N 360.482 5.223 30 40 FKEB CC(C)c1cc(=O)oc2cc(O[C@H](C)/C(O)=N/c3cccc(F)c3)ccc12 15393367 XFZPDQNHYDEFOE-CYBMUJFWSA-N 369.392 5.111 30 40 FKEB COc1ccc2cc(C(=O)/C=C\c3ccc(C(F)(F)F)cc3)ccc2c1 33376753 PHMDSAVAVNFTBU-WCIBSUBMSA-N 356.343 5.763 30 40 FKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccncc2)cc1 100284708 SSVVLFHKUOYHRU-UHFFFAOYSA-N 369.509 6.245 30 40 FKEB CCCCCCCC[C@H](C)c1cccc([C@@H](C)CCCCCCCC)c1O 104162278 AMAPQLXDBQEZPS-GOTSBHOMSA-N 374.653 9.100 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)cc1 408756004 QHEFKRLMIQOOHC-ONUIUJJFSA-N 358.529 6.705 30 40 FKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1ccc(F)cc1 408772753 QYVRBVCNHNXXTI-ZVHZXABRSA-N 358.420 5.227 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)c(C)c1 408932892 FNDCRBBZVCUEPZ-OYKKKHCWSA-N 360.457 5.248 30 40 FKEB Cc1ccc(C)c(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408960566 MTTYVEDIIBSZQH-OYKKKHCWSA-N 359.425 5.331 30 40 FKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1O 409093303 ZWTYWUHVSNVSQJ-CHOFVFFHSA-N 368.502 5.236 30 40 FKEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409207887 CAOHJIKSPGTKDK-RGVLZGJSSA-N 362.654 5.174 30 40 FKEB C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 6960565 QGYVWRHDYZNSHL-XIEYBQDHSA-N 371.436 5.640 30 40 FKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 8111165 HGHXOOOQKGCKKO-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c1 19934500 DSYKLFMJSZATNJ-JOCHJYFZSA-N 361.441 5.201 30 40 FKEB CCc1nc(C)c(C#N)c(SCc2ccc(-c3ccccc3C#N)cc2)n1 40057626 QWEDVTFGIXHDEA-UHFFFAOYSA-N 370.481 5.050 30 40 FKEB CCCCCCCCCCCCCCCCCCC[C@H](O)CC(=O)O 64625082 PNPWTPYWWUOMDS-NRFANRHFSA-N 356.591 6.864 30 40 FKEB biogenic,in-vitro OC1=NC(=N/c2cccc(Cl)c2)/C(=C/c2cccc3nccnc23)S1 72400756 VHQNZNANNSYGHO-DHDCSXOGSA-N 366.833 5.015 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 102142097 JQMLQOLHEHHADS-XXBNENTESA-N 354.538 5.565 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(CC)cc1 105427281 AVQRFBOKJKWSRT-UHFFFAOYSA-N 360.542 5.225 30 40 FKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 408741822 SCMUPEJQPITRNL-MYYYXRDXSA-N 374.484 5.638 30 40 FKEB CC(C)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408851883 BCDQWHPRWPDWNH-UDWIEESQSA-N 361.283 5.516 30 40 FKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1 408908500 FJIOLLGEHZNFEM-OTFYDCBPSA-N 366.486 5.103 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3OC)cc2)cc1 409097084 MYARXDIERKPKBS-WUKNDPDISA-N 373.452 5.858 30 40 FKEB Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/c1ccc(Cl)cc1 2576645 WGILGXIYQPRWPU-ZVBGSRNCSA-N 365.647 6.361 30 40 FKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1 3897889 XSUSDTIORYQEKS-BUVRLJJBSA-N 368.440 5.060 30 40 FKEB Cc1ccc2nc(N/N=C(/c3ccccc3)c3ccccn3)cc(C)c2c1 5392979 BBBPWTGXWGELKG-VYIQYICTSA-N 352.441 5.111 30 40 FKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(-c3ccccc3)cc2)c1 6618474 CMGLDRPJZROVQT-DHRITJCHSA-N 374.793 6.472 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)CCCCCCC 14880345 DWMMZQMXUWUJME-UHFFFAOYSA-N 368.646 8.371 30 40 FKEB biogenic,in-vivo CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 19820733 LQEYCOYCKDVOAN-YOEHRIQHSA-N 352.507 5.036 30 40 FKEB Fc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1 409208720 CSYGYFXNWMGLBQ-WYMPLXKRSA-N 374.242 6.462 30 40 FKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccc(C)cc1 2238760 YLZVZOJWCQJFPD-HSZRJFAPSA-N 372.895 6.992 30 40 FKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1Cl 3117317 PPWZXEXEQZTSEB-YDZHTSKRSA-N 370.235 5.963 30 40 FKEB CCCCCCCCCCCCCCCCNC(=O)c1ccccc1O 100925827 VQLKICSMSHRLMF-UHFFFAOYSA-N 361.570 6.603 30 40 FKEB CCCCCCCCCCCCC#CCCCCCCCCC(=O)O 102140192 HLPNWONHIIPUJO-UHFFFAOYSA-N 350.587 7.506 30 40 FKEB C=CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 408736193 KPMARHMLJNKZGZ-UWVAXJGDSA-N 372.295 6.385 30 40 FKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 408779793 KLCJQTXOQYMJHD-LGUFXXKBSA-N 365.480 6.266 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C 409208871 APZGPECTRMJJAR-DHRITJCHSA-N 367.851 6.426 30 40 FKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3)nc12 1435315 IFCWJLWOYWSVMA-FSJBWODESA-N 362.816 5.913 30 40 FKEB COc1ccc(Nc2ccc(/N=C/c3ccc(OC(F)F)cc3)cc2)cc1 4868401 MYVBLVKRIHIGKV-ZVHZXABRSA-N 368.383 5.791 30 40 FKEB COc1ccc(/C=N/c2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 5513489 MBCZZMCZKQDEFP-KURUZVKSSA-N 351.833 5.181 30 40 FKEB CCCCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N 16805397 HHSCRVGGXPHXCL-UHFFFAOYSA-N 370.827 6.185 30 40 FKEB C#CCOc1ccc(Br)cc1CNc1ccc(C)c(Cl)c1 41640695 GSEAKANDQUNPHT-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccccc1 58122802 MWHBTNLGSMYVEF-UHFFFAOYSA-N 364.499 5.033 30 40 FKEB Clc1cc(/N=C/c2cccn2-c2ccccc2)ccc1Br 59247826 TTZFFEBTNARZPK-UDWIEESQSA-N 359.654 5.644 30 40 FKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 408784557 UNOIIOGDCVRWCN-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB C=CCc1cc(/C=N\c2ccc(Cl)cc2Cl)cc(OCC)c1O 408843273 CZAGLEBHJOFYKZ-NHDPSOOVSA-N 350.245 5.577 30 40 FKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 1413058 WBDKDHUZARYJPL-HNNXBMFYSA-N 352.503 5.332 30 40 FKEB Cc1ccc(Nc2c(C(C)C)c(C)c(C#N)c3nc4ccccc4n23)cc1 1467899 OZSOTZFFUYPZNV-UHFFFAOYSA-N 354.457 5.843 30 40 FKEB C#CCOc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 2376619 KLLOEXZRKIIVQV-UHFFFAOYSA-N 351.409 5.052 30 40 FKEB O=C(Nc1cc(/N=C/c2ccccc2)c(Cl)cc1Cl)c1ccccc1 3101493 ZBWBNFCPBOPKCT-YDZHTSKRSA-N 369.251 5.996 30 40 FKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3ccccc32)cc1 5660220 SMHLTLUYAJVWFQ-UHFFFAOYSA-N 371.465 5.198 30 40 FKEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccs1 7740050 JHBMXKIAPUYILJ-ZHACJKMWSA-N 367.857 5.550 30 40 FKEB CCc1ccc(/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 8085067 KWRWYPHQSWOFAF-PCLIKHOPSA-N 372.468 5.326 30 40 FKEB O=C(/C=C\c1cccs1)c1ccc(C(=O)/C=C\c2cccs2)cc1 17222029 AWFKHBXZPFZQCK-HWAYABPNSA-N 350.464 5.602 30 40 FKEB CCCCCCCCCCCCCCCCOc1ccc(/C=N\O)cc1 104216997 VNFNTKWCBUWOGT-FLFQWRMESA-N 361.570 7.355 30 40 FKEB CCOc1ccccc1/N=C/c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 408733625 MYAAGVTWHKRXJN-CVKSISIWSA-N 370.496 5.973 30 40 FKEB C=CCc1cc(/C=N\c2ccc(Br)cc2C)cc(OCC)c1O 408842587 AWKRSGCDNNCFQV-MTJSOVHGSA-N 374.278 5.341 30 40 FKEB CC[C@H](C(=O)C=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 2049241035 MDGSZSJIRYOQHA-RJJVWVDVSA-N 356.506 5.299 30 40 FKEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccoc1C 6911877 KYRDORQRXVBYEH-UHFFFAOYSA-N 363.845 5.117 30 40 FKEB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCc2ccc(C#N)cc2)n1 6935037 BYIFADGPTADFIG-UHFFFAOYSA-N 373.481 5.115 30 40 FKEB CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OC 6957972 DEVCEQAOMFJGFM-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB CC(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 33736603 RKDQRNDLBHHUQD-PCLIKHOPSA-N 367.452 5.069 30 40 FKEB COc1cc(C)c(/C=N/c2ccc(Oc3ccccc3C)cc2)cc1OC 408549438 SUHGDDBHZFSFLL-BUVRLJJBSA-N 361.441 5.864 30 40 FKEB Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 409210995 LKAFBYMYVSXYCE-WSDLNYQXSA-N 358.224 6.242 30 40 FKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccccn3)c2C)c(Br)c1 409247148 GOMCPXOMYGFMPO-UUYOSTAYSA-N 368.278 5.311 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2212054 QNBDYXNEPCCUHW-UHFFFAOYSA-N 369.559 5.595 30 40 FKEB C/C(C(=O)c1ccccc1)=C(/CC(=O)c1ccc(Cl)cc1)c1ccccc1 4452678 JZQRUUIWZOPKSA-OQKWZONESA-N 374.867 6.269 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 4673165 NWIWGVNPNKKFDS-CQSZACIVSA-N 370.493 5.552 30 40 FKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 6276557 UGONBXKUQOFAEI-FPLPWBNLSA-N 360.162 5.821 30 40 FKEB CCN(CC)c1ccc(/C=N/c2ccc(OC(F)(F)Cl)cc2)cc1 6517519 PRLXEPGXBNHHCW-LPYMAVHISA-N 352.812 5.451 30 40 FKEB C=CCN1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 6761178 HFDXUBFYFSKBGM-DEOSSOPVSA-N 368.480 5.775 30 40 FKEB Clc1ccccc1CN/N=C/c1ccccc1OCc1ccccc1 8811280 SDCPKBICFIXHMU-BUVRLJJBSA-N 350.849 5.043 30 40 FKEB Fc1ccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)cc1 10118989 VFWNUCGMCQUTEB-AFUMVMLFSA-N 368.839 5.182 30 40 FKEB C[C@H](Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1)C(=O)O 59249413 PESXEHJVCSTMLU-PFRBSUFTSA-N 360.413 5.033 30 40 FKEB O=[N+]([O-])c1ccc(F)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1 66088694 XVGBOJDTRWKUCG-NGYBGAFCSA-N 362.575 5.140 30 40 FKEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1cccc(C)c1 409120465 ZQRCUHGIIREFHX-UHFFFAOYSA-N 370.543 5.295 30 40 FKEB O=C(/C=C/c1ccccc1)c1ccc(Br)cc1C(F)(F)F 575362678 YFXRGCOYENVEBN-RMKNXTFCSA-N 355.153 5.364 30 40 FKEB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)c2C#N)c1 1003135 HORXRICGQZOTAO-UHFFFAOYSA-N 350.443 5.366 30 40 FKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1Cl 6927635 FONAPTZPZJYLFY-LJQANCHMSA-N 352.865 5.514 30 40 FKEB N#Cc1ccc(CSCc2csc(-c3ccccc3Cl)n2)cc1 24775275 RBZAZAGXSJZREK-UHFFFAOYSA-N 356.903 5.769 30 40 FKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 5649216 FTDFYTKHBGAUKZ-NVNXTCNLSA-N 359.381 5.070 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 17124111 TVDFEWYLKFJOHF-NTCAYCPXSA-N 359.381 5.070 30 40 FKEB CC#C[C@@H](CC(=O)O)c1ccc(OCC2=CCCC3(CCCCC3)C2)cc1 43204782 MFECMYPTTGKKQI-NRFANRHFSA-N 366.501 5.708 30 40 FKEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)c1 44899698 MCZNCVGZHCKDRS-OAQYLSRUSA-N 361.441 5.201 30 40 FKEB CCCCc1nc(Cl)c2n1Cc1ccc(-c3ccccc3C#N)cc1C2 65735083 ISDSVKOJLFVXEY-UHFFFAOYSA-N 361.876 5.370 30 40 FKEB in-vitro CCCCCCCNCc1cccc(OCC)c1OCc1ccccc1 105248349 DJCNESZPEJQCEC-UHFFFAOYSA-N 355.522 5.724 30 40 FKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)cc1C#N 225845003 ZTHXCARISJDMQC-UHFFFAOYSA-N 374.525 5.153 30 40 FKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408594620 IUNYTOIDUPVKCC-BRJLIKDPSA-N 370.330 5.388 30 40 FKEB Cc1oc(/N=C/c2ccccc2OCc2ccccc2Cl)c(C#N)c1C 408958627 ZNRLGCBBJVTYET-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1Cl 408963975 AXDAYIQROKIFQY-WGARJPEWSA-N 373.887 6.355 30 40 FKEB O=[N+]([O-])c1ccccc1/C=N/c1cccc(/N=C/c2ccccc2[N+](=O)[O-])c1 3063076 KDKIBZPWFQWBCI-JFMUQQRKSA-N 374.356 5.004 30 40 FKEB COc1ccc(Nc2sc(C(=O)c3ccc(C)cc3)c(C)c2C#N)cc1 3285238 RZUFACRRIZNDRO-UHFFFAOYSA-N 362.454 5.220 30 40 FKEB c1ccc(/N=C2\Sc3nc4ccccc4n3\C2=N\c2ccccc2)cc1 4467051 QARQZVIMLXBPQD-JMALZQNKSA-N 354.438 5.451 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1 100307274 BPSLVNCMKDXZPC-UHFFFAOYSA-N 374.609 7.991 30 40 FKEB CCCCCCCCCCCCCCOC(=N)c1ccc(O)c(OC)c1 104324802 DAWZDNNYWQMLQM-UHFFFAOYSA-N 363.542 6.444 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1Cl 409019461 ZEDHMTLHTAIHEU-JYQBEENSSA-N 366.244 5.620 30 40 FKEB CC(C)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409046797 MGDBHSRJQPCNMB-AWQFTUOYSA-N 367.232 5.687 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)cc1 409186710 GUZAPUSJVFMFOJ-ONUIUJJFSA-N 374.528 6.541 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)c(Cl)c3)ccc21 1956960 YFECVOZFBGAPFG-ZMOGYAJESA-N 367.279 6.872 30 40 FKEB C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 5296102 LBUGBQLCFDQBFP-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB CC(/C=C1\S/C(=N/c2ccccc2Cl)N=C1O)=C\c1ccccc1 6261735 LANVJNSZCVAWMR-YMGXUNRSSA-N 354.862 6.018 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc(Br)c1 6626240 DIMUCPMLEMAPNZ-CIAFOILYSA-N 361.258 5.247 30 40 FKEB CCCCCCCCCCC(=O)Nc1nc(-c2ccc(CC)cc2)cs1 8443559 LBXBOQOVOACSCZ-UHFFFAOYSA-N 372.578 6.842 30 40 FKEB Oc1c(/C=N/c2ccc(Br)cc2Cl)ccc2ccccc12 96006189 SOHCAKFFDPHBMU-KEBDBYFISA-N 360.638 5.712 30 40 FKEB Cc1cc(=O)oc2c1ccc1oc(/C(=N/O)c3ccc(Cl)cc3)c(C)c12 100746107 CMZRRZPSKLLAMU-RELWKKBWSA-N 367.788 5.036 30 40 FKEB biogenic CCCCCCCCCCCCCCCCCOc1ccc(OC)cc1 101509217 KMUCLRCDZVBXMF-UHFFFAOYSA-N 362.598 7.945 30 40 FKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 408764426 INEAUJDMDLSZJO-RFWXGWTQSA-N 367.408 5.446 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc3ccccc3c2)o1 408962136 QFOKUGRSZKIHMU-OYKKKHCWSA-N 355.393 5.857 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc(O)cc3)o2)c(Br)c1 409232626 RVBYXPZUKDNTFO-RGVLZGJSSA-N 356.219 5.474 30 40 FKEB COc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 1421622 KFWGIDDUCSDOLL-RGVLZGJSSA-N 356.765 5.267 30 40 FKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cccc2ccccc12 3034631 MQERUOCAZASULP-PDGQHHTCSA-N 364.857 5.385 30 40 FKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)OC(C)=O 4023648 FCPHMAOZUSIKSS-QJJLRRBJSA-N 374.609 7.244 30 40 FKEB CCCCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 4124254 TXXIGLYAXKCYRY-UHFFFAOYSA-N 374.509 6.188 30 40 FKEB N#Cc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 6219005 FSIQBDKUAXGFNT-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1 10118936 AAGWKLCBPAAFJW-ZVHZXABRSA-N 351.881 5.180 30 40 FKEB C=CCSc1ccccc1NC(=O)c1ccc(Br)s1 15819060 NVNFURNSSHWMIH-UHFFFAOYSA-N 354.294 5.041 30 40 FKEB N#CCCCOc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 55569461 NRIJCXMTQMXSPJ-UHFFFAOYSA-N 367.207 5.067 30 40 FKEB CCCCCCCCOc1ccc(C=O)c(OCCCCCCCC)c1 59608630 NFFQLWAVPIVZLQ-UHFFFAOYSA-N 362.554 6.978 30 40 FKEB CCCCCCCCCCCCCCCCCCOP(=O)(O)O 59617334 UHGIMQLJWRAPLT-UHFFFAOYSA-N 350.480 6.357 30 40 FKEB Cc1cc(/C=N\c2ccc3ncccc3c2)c(C)n1-c1ccc(N(C)C)cc1 408740831 MYIDMJUOZMOSKE-QQXSKIMKSA-N 368.484 5.459 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(N(C)C)cc2)cc1OC 409379809 ZRQBPCBKMCSEKG-BXSODOALSA-N 360.885 5.343 30 40 FKEB N#Cc1cc(-c2ccc(Cl)cc2)cnc1OC(=O)c1ccc(Cl)cc1 3051000 YZBSLRTWSKOWJE-UHFFFAOYSA-N 369.207 5.146 30 40 FKEB COc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 5417252 MUYMUMDLMAUWAH-UFWORHAWSA-N 359.640 5.110 30 40 FKEB COC(=O)c1ccc(/C=N\c2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 18055810 CFOYYRBZPRJUPO-OYKKKHCWSA-N 370.408 5.340 30 40 FKEB biogenic Clc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1Cl 18101874 MEHFZGUOMAQNPO-QRVIBDJDSA-N 356.252 6.323 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1Cl 100840996 QFDADRMACCWFJZ-UZYVYHOESA-N 361.297 5.942 30 40 FKEB Clc1ccc2c(N/N=C/c3ccc(Br)s3)ccnc2c1 5897458 FOEUHMGKTNDXHU-QGMBQPNBSA-N 366.671 5.158 30 40 FKEB N#Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)c2ccccc12 7653659 RYPZBKOFCCGERZ-UHFFFAOYSA-N 371.440 5.600 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(CSc2ccccc2)cc1 20242212 MEPDEIUYFXUPRM-PCLIKHOPSA-N 369.489 6.588 30 40 FKEB CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccccc21 84575355 OPCAIYWRLFVILM-INIZCTEOSA-N 373.481 5.397 30 40 FKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1 260840651 SLPWDFZNCKAZLT-OZKVFTRCSA-N 361.832 6.564 30 40 FKEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccc(Cl)c3)nc1-2 408723322 TZAQSZGDEQTHJH-AWQFTUOYSA-N 356.834 5.115 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 408762146 CYRVYGCYOOZGAX-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB N#C[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 1401082 OGKLAWKZWKZAMJ-MRXNPFEDSA-N 372.280 5.590 30 40 FKEB CCOc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 5196885 ZKWXMUJLQILKJT-SAPNQHFASA-N 358.437 5.560 30 40 FKEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1cccc2ccccc12 6049221 YRILGPGGQFKRPX-BHGWPJFGSA-N 363.770 5.743 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 6219084 UHSPFBKSRRTHHX-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB N#Cc1cccc(N/C=C2/C(=O)c3c(F)cccc3[C@@H]2c2ccccc2)c1 8642971 XVCODOIHEIVHMA-CURYZJDOSA-N 354.384 5.022 30 40 FKEB CCCCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 83328648 MDWNSKOYMKSOAH-QNGOZBTKSA-N 353.491 5.701 30 40 FKEB FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95707767 SNCGKZWVZZPGDQ-UHFFFAOYSA-N 370.948 5.191 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225848854 RKVDOIOWWDMYDF-JOCHJYFZSA-N 374.525 5.297 30 40 FKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccccc3)c2C)c(Br)c1 408778682 WLXDVYGESYICDG-XKZIYDEJSA-N 367.290 5.916 30 40 FKEB FC(F)(F)c1ccc(N/N=C\c2ccc(OCc3ccccc3)cc2)cc1 408932995 GKSZWZAGKRMDGC-QFEZKATASA-N 370.374 5.730 30 40 FKEB C=C1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)CC2=C(C)CC[C@@H]12 849536 FIVVYCVIXJNZET-HKUYNNGSSA-N 355.434 5.223 30 40 FKEB biogenic CCCCCCCCCCCC(=O)/C=C/c1ccc(Cl)c(Cl)c1 2026342 SBZPUOZWHQYJIL-WYMLVPIESA-N 355.349 7.497 30 40 FKEB O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1cccc(Cl)c1 6528540 OOZWTYVIOYHCDU-LPYMAVHISA-N 350.805 5.049 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(NCc3ccc(F)cc3)o2)CC1 8868424 RDKSHQBSKUFQJQ-UHFFFAOYSA-N 355.457 5.761 30 40 FKEB O=C1C2=C(N=C3CCCC(O)=C3[C@H]2c2cccc(Cl)c2)c2ccccc21 18249466 FVDFWXGABANNLT-GOSISDBHSA-N 361.828 5.482 30 40 FKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(C)cc3)c(C)c2s1 72228582 LUVPVYTYFKPCRI-UHFFFAOYSA-N 366.490 5.282 30 40 FKEB O=C1/C(=C/c2ccccn2)OCc2nc3ccccc3c(-c3ccccc3)c21 96319357 RFPLBKMUWSFDMO-STZFKDTASA-N 364.404 5.051 30 40 FKEB CCCCCCCCCc1noc(C2CCC(c3ccccc3)CC2)n1 98000450 QULCRPNSKCQNBM-UHFFFAOYSA-N 354.538 6.804 30 40 FKEB CC(C)(C)/N=C1\CC(C)(C)c2ccccc2/C(=N\c2ccccc2)S1 104294346 RSNMJUIJZLBDNQ-YOMDHMBNSA-N 350.531 6.376 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225766025 UALMCGFULGIJPX-OAQYLSRUSA-N 368.546 5.552 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 226256362 JXOARMVRAOETFU-VMPITWQZSA-N 367.626 5.105 30 40 FKEB CCCCOc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cs2)cc1 408737148 LGBNJWPDLMLBNV-XQNSMLJCSA-N 365.502 5.825 30 40 FKEB C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 409198922 MMSVNTQIRUMIBO-UHFFFAOYSA-N 352.261 5.569 30 40 FKEB CCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330246 RALWSCBRACYYSG-WAYWQWQTSA-N 352.187 5.836 30 40 FKEB C/C(=C/CC/C(C)=C/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C 4677241 ZAAKZLBOPSCUKN-PPZKNMKDSA-N 374.441 5.620 30 40 FKEB COc1ccc([C@@H]2C[C@H]2/C(C)=N/OCc2c(Cl)cccc2Cl)cc1 5382279 JIMACHJGDFRGCV-RQPWHRJUSA-N 364.272 5.698 30 40 FKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1 9554186 XGKYJDDNNWPVNK-CCEZHUSRSA-N 363.388 5.435 30 40 FKEB CC[C@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1 15741743 RHAMIRYNDYZPCH-TWLJRWAQSA-N 371.484 5.144 30 40 FKEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccc4ccccc34)nc1-2 59459311 JRKBUSZJCOZZER-ZVHZXABRSA-N 370.477 5.821 30 40 FKEB C=CCSc1nc2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2s1 100478852 WSLNTXAMOSUCCH-WQRHYEAKSA-N 355.444 5.233 30 40 FKEB COc1ccccc1[C@@H](CC/N=C/c1ccccc1)[C@@H]1CCOC(C)(C)C1 4028078 MZKGKUVVRZXESK-DYRRUSJISA-N 365.517 5.493 30 40 FKEB biogenic S=C(NN=C1C2CC3CC(C2)CC1C3)Nc1ccc(Cl)c(Cl)c1 5414698 IJPYNWLDBDPTEM-UHFFFAOYSA-N 368.333 5.092 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(C2CCCCC2)cc1 11690108 VHORFYXACOSMAC-JQIJEIRASA-N 374.455 7.030 30 40 FKEB O=C(O/C(=N\c1ccccc1)c1nccc2ccccc12)c1ccccc1 100477052 VEWWOBCZAALYKW-LVWGJNHUSA-N 352.393 5.170 30 40 FKEB COc1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12 102423441 HNVZXCUNJOOXCH-RGVLZGJSSA-N 356.219 5.067 30 40 FKEB FC(F)(F)CNc1ccc(OCCCC(F)(F)C(F)(F)F)cc1 103597976 QYXDXKDBWNDNOU-UHFFFAOYSA-N 351.237 5.017 30 40 FKEB CC[C@@H]1CCc2c(c(-c3ccccc3)n3c(nc4ccccc43)c2C#N)C1 170622703 SKIWMZYFFHQGFF-MRXNPFEDSA-N 351.453 5.541 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 408585119 AKSUDBURGCOXRA-UHFFFAOYSA-N 353.506 6.295 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 408962795 VCPAGBPGSXOQRM-QGOAFFKASA-N 350.487 5.184 30 40 FKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(SC)cc3)nc1-2 409040588 GWJRKESWKJXBRK-JAIQZWGSSA-N 352.484 5.195 30 40 FKEB Cc1cccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)c1C 409201366 MDHVQLVJLJMWRC-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB C/C(=N\OC(=O)c1cccc(C)c1)c1sc(-c2ccccc2)nc1C 4050429 RHBWSRQRWUDTTE-PXLXIMEGSA-N 350.443 5.008 30 40 FKEB Brc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 4925860 PLCJDBXZNSGZOR-PXLXIMEGSA-N 365.274 5.490 30 40 FKEB CCOc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC 6048598 JNTXYRVEQINNTQ-OQLLNIDSSA-N 364.485 6.038 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(O)c1 6381289 XNZXNDDWJVRKKB-JXMROGBWSA-N 354.789 5.210 30 40 FKEB N#CC1(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCCC1 84452352 ZHJDWNZIQKFZAQ-UHFFFAOYSA-N 372.799 5.140 30 40 FKEB O=C1C(=O)c2ccccc2C(O)=C1C1CCC(c2ccc(Cl)cc2)CC1 100345537 BSJMWHQBCZFXBR-UHFFFAOYSA-N 366.844 5.349 30 40 FKEB biogenic,in-vitro C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 100920122 KPABHBXUSARNKJ-RDGATRHJSA-N 359.513 5.598 30 40 FKEB CCCCCCCc1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100984479 JUTCIZFINAWAQM-URXFXBBRSA-N 355.566 6.240 30 40 FKEB CCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530830 QHUVKEVOWSCJPA-OUKQBFOZSA-N 350.362 7.296 30 40 FKEB CCCC[C@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N/O)C(C)=O 104347375 QXURMVMQUSFRNL-WEOVMKDHSA-N 369.546 5.530 30 40 FKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 408760134 SEUPRWMMYCOIPU-CIAFOILYSA-N 368.824 5.102 30 40 FKEB O=C1/C(=C/c2cccc(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 408976857 UHEAKTVXGBKVLS-WELATPIXSA-N 374.440 5.634 30 40 FKEB CC(C)(C)c1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 1776110916 KCIXZEKGKHYKIM-OUKQBFOZSA-N 358.279 5.555 30 40 FKEB COc1ccc([C@H](C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1731816 RZCQICLSLHHLOK-GOTSBHOMSA-N 355.437 5.359 30 40 FKEB N#C/C(=N\Nc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1 4175483 BYRKPKKGRSNWTF-HZHRSRAPSA-N 373.268 5.457 30 40 FKEB N#C[C@@H](c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 4770779 JEFJOTSDPTYHAQ-PKTZIBPZSA-N 355.416 5.242 30 40 FKEB COc1ccc(/C(C)=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 4922324 JBZCITNNCLNMMJ-LSHDLFTRSA-N 372.774 5.212 30 40 FKEB Oc1ccccc1-c1csc(NN=C2c3ccccc3-c3ccccc32)n1 6243081 XZDKDDFKEGXJOE-UHFFFAOYSA-N 369.449 5.361 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(F)cccc1Cl 18136403 JLWXMZCERBMWOR-FQEVSTJZSA-N 370.855 5.701 30 40 FKEB CCCCCCCCCCCCOC(=O)C/C=C/c1ccc(C=O)cc1 59663708 PKAWCFFTZJYOIM-OUKQBFOZSA-N 358.522 6.367 30 40 FKEB CCCCCCCCCCCCOC(=O)C[C@H]1C[C@H](C(C)=O)C1(C)C 104172360 LGGLZSKITXBWKZ-WOJBJXKFSA-N 352.559 6.092 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccccc3OC)c2c1 408775523 TZCBAHMFSXLPKL-IWIPYMOSSA-N 356.425 5.603 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409203639 ZQLQJULZOYPPTK-RGVLZGJSSA-N 364.670 5.726 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409240569 LGYLIEVJZDDKSD-HLNOYYKJSA-N 359.538 7.410 30 40 FKEB N#C[C@@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 6649931 XZUMYCJVWDRHCR-NSHDSACASA-N 361.253 5.022 30 40 FKEB C=CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 8254109 RRIPJJJMJODTKC-UHFFFAOYSA-N 366.288 5.247 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C\c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 18142038 RPEISQZPXHGXLM-XKZIYDEJSA-N 373.437 5.931 30 40 FKEB CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 32796575 PJNSAWDXUIBOQW-QFIPXVFZSA-N 372.493 5.050 30 40 FKEB C=CCc1ccc(-c2ccc(OCCCCCCCCCC)c(F)c2)nc1 97997809 CKVSLDAVGOQURQ-UHFFFAOYSA-N 369.524 7.136 30 40 FKEB CCCCCCCCOCCN(CCO)CCOCCCCCCCC 100923558 UWSSBTLLBIYKCP-UHFFFAOYSA-N 373.622 5.035 30 40 FKEB CCCCCCCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 102448159 PJRLOLRYIKFBRN-UHFFFAOYSA-N 351.416 5.853 30 40 FKEB CCOC(=O)c1c(/N=C\c2ccccc2OC(C)C)sc2c1CCCC2 408600502 BXCJTVMDEJCGDO-XKZIYDEJSA-N 371.502 5.341 30 40 FKEB O=C(c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F 575357870 YHQVOBAQMONCKI-UHFFFAOYSA-N 350.233 5.369 30 40 FKEB Cc1ccc(/C=N/N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1 4663084 HZQSRNJTPMWXMS-UXOTVQNASA-N 371.509 5.303 30 40 FKEB Clc1ccc2nc(N/N=C/c3ccccc3)nc(-c3ccccc3)c2c1 4834780 XHKGXMMXBBEJOV-OEAKJJBVSA-N 358.832 5.396 30 40 FKEB N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccccc1C(F)(F)F 5775648 NDAPCAUAYYUTOO-UHFFFAOYSA-N 356.303 5.089 30 40 FKEB CC(C)(C)c1ccc(/C=C2/C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 8264387 ZILIYULDJAAMCQ-BDPRQDHOSA-N 368.476 6.384 30 40 FKEB CCCCCCCC1CCC(c2ccc(C(=O)CCN(C)C)cc2)CC1 33353042 FBJAGPZIMYFDSU-UHFFFAOYSA-N 357.582 6.455 30 40 FKEB O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)C(F)(F)F 59417212 NZRHNVGYGOLAMF-UHFFFAOYSA-N 367.220 5.138 30 40 FKEB Cc1cccc(/C=C/C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1 89668982 AEBQPNIKJXJAJI-CCEZHUSRSA-N 365.432 5.400 30 40 FKEB CCCCCCCCCCCCCCCCOc1ccc(/C=N/O)cc1 102312203 VNFNTKWCBUWOGT-DARPEHSRSA-N 361.570 7.355 30 40 FKEB CCN1c2ccc(/C=N/c3ccc(OC)c(Cl)c3)cc2[C@@H](C)CC1(C)C 198097935 IXYDEYHMBJZHMY-BGHCKBSUSA-N 370.924 6.211 30 40 FKEB FC(F)(F)C(F)(F)/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 207748617 YJSIBKOUPOTQEG-UPHRSURJSA-N 364.076 5.208 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 409017374 WDRJHFPHIMMDQO-HZHRSRAPSA-N 369.461 5.190 30 40 FKEB Clc1ccc(Sc2ccc(/C=N\c3ccc4c(c3)OCO4)cc2)cc1 409065586 HUDKTGJPSLBCBI-UUYOSTAYSA-N 367.857 5.971 30 40 FKEB C=CCN(C(=S)Nc1cc2ccncc2c2ncccc12)c1ccccc1 409333128 HXUVXINUIMALHI-UHFFFAOYSA-N 370.481 5.172 30 40 FKEB CCc1nc(SCc2ccccc2Cl)c(C#N)c(C(F)(F)F)c1C 663875 XACDEUPUHRKGRB-UHFFFAOYSA-N 370.827 5.789 30 40 FKEB CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 924047 AOCLNGIYNXZXRI-DEOSSOPVSA-N 370.452 5.307 30 40 FKEB CCOc1cc(/C=C/C(=O)C2CC2)ccc1OCc1ccccc1Cl 2284689 QBHYZSSDYURXLC-YRNVUSSQSA-N 356.849 5.310 30 40 FKEB Cc1ccc(Sc2ncccc2C(=O)OCc2ccc(C#N)cc2)cc1C 5950807 CYXGWODOHRKRNI-UHFFFAOYSA-N 374.465 5.078 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Oc2ccccc2)cc1 6545712 JUSZIXFUENYMCJ-YZSQISJMSA-N 374.459 6.277 30 40 FKEB Cc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 8549892 QPDGAZBZENZHMQ-NTEUORMPSA-N 363.269 5.193 30 40 FKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 21722396 FZGJOABVHCKHLV-HSZRJFAPSA-N 374.484 5.240 30 40 FKEB Cc1sc(N/N=C/c2ccc(Cl)cc2Cl)nc1-c1ccccc1 59193793 CWMKPELWUWGQKO-KEBDBYFISA-N 362.285 5.871 30 40 FKEB Cc1ccc(-c2cc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)on2)cc1 89641016 SJPCTUKBADZVBV-UHFFFAOYSA-N 365.458 5.133 30 40 FKEB CCCCCC/C=C/CCCCCCCCCc1cccc(O)c1C(=O)O 100291485 MBYNDKVOZOAOIS-BQYQJAHWSA-N 374.565 7.280 30 40 FKEB CCCCCCCNCc1cc(Br)c(OCC)c(OCC)c1 102566589 QVYPWDAUHDESLU-UHFFFAOYSA-N 372.347 5.307 30 40 FKEB FC(F)(F)C(F)(F)CCCCCCCCC(F)(F)C(F)(F)F 169795139 XJFLRQRBRRWABG-UHFFFAOYSA-N 350.240 6.502 30 40 FKEB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1 225855308 BZSNOBCGOHMDMV-JTSKRJEESA-N 372.509 5.051 30 40 FKEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1 225880729 SYWZUQPXVABSQF-UHFFFAOYSA-N 372.255 5.398 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)c(C)c1 408932176 UPRJKGSZDSXLOT-CFRMEGHHSA-N 364.420 5.079 30 40 FKEB Fc1c(F)c(F)c(/C=N/N=C2c3ccccc3-c3ccccc32)c(F)c1F 1710136 NOQRIWHCKUUTMO-JQAMDZJQSA-N 372.296 5.234 30 40 FKEB CCOc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)ccc1O 4159346 ZXRYBMKOYYZBRA-UFWORHAWSA-N 359.640 5.197 30 40 FKEB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3)cc1)N2 4181639 QLXPYLKCHCENEO-YVNWIVKRSA-N 364.492 6.572 30 40 FKEB O=C1C(O)=C(CCC[C@H]2CCC[C@@H]3CCCC[C@@H]32)C(=O)c2ccccc21 4552450 NUUNXYJGPKCBLC-BBWFWOEESA-N 352.474 5.655 30 40 FKEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NC1CCCCC1 32999852 XAKHNKOWZNEUKE-UHFFFAOYSA-N 363.417 5.130 30 40 FKEB CCCCCCCCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)Cl 100498119 RFWUSONQVLHGBQ-OAHLLOKOSA-N 374.780 5.492 30 40 FKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)N[C@@H](C)COC 104109842 SIDPVABXALOZOR-PCCBWWKXSA-N 369.590 5.386 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 219813649 ZSKUZCRBIKDJAN-UHFFFAOYSA-N 373.477 5.448 30 40 FKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 408772617 DQNAWTWXODGCSJ-OEAKJJBVSA-N 361.445 5.876 30 40 FKEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1ccc(Cl)cc1Cl 2330668 AJOFRXAPINPAFG-NVMNQCDNSA-N 355.294 5.177 30 40 FKEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 6785515 MGYPMZPZMOQRMX-UHFFFAOYSA-N 359.857 5.216 30 40 FKEB Cc1cccc(N/N=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1 6867425 QNZXZIKTWGXZFN-DAFNUICNSA-N 354.409 5.028 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)/C=C\c1ccccc1 102623299 DGRQAULORKBRKT-DQRAZIAOSA-N 372.593 7.724 30 40 FKEB CN1/C(=C/C=N/c2ccc(Br)cc2)C(C)(C)c2ccccc21 103440761 QVFBVMXBWQWLED-XLECEWEHSA-N 355.279 5.463 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1 408589129 YWLJUVMSZLTPEM-UHFFFAOYSA-N 353.506 6.241 30 40 FKEB C=CCN(CC=C)C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 408998010 PUQLRAHVBMHDHM-UHFFFAOYSA-N 374.469 5.204 30 40 FKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1O 409093304 ZWTYWUHVSNVSQJ-XMTZNVEYSA-N 368.502 5.236 30 40 FKEB CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3)cc1)OCO2 409104635 GGQLIBKBDPPLKV-UCQKPKSFSA-N 361.397 5.357 30 40 FKEB O=C(O)c1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 409218641 WUQMSTDOBOBDTO-YDZHTSKRSA-N 365.816 5.368 30 40 FKEB Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)cc2)c(O)c1Br 1435228 IRNWVXCHZJXSFN-FBCYGCLPSA-N 373.077 5.829 30 40 FKEB C=C(CC(=O)OC[C@@H](CC)CCCC)C(=O)OC[C@H](CC)CCCC 4933564 CGNRQCGWXXLTIA-RBUKOAKNSA-N 354.531 5.452 30 40 FKEB in-vitro Cc1sc2c(c1C#N)C[C@@H]1CC[C@H]3[C@H](CC[C@@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2 253569820 MVAGPIUKXMGVFG-WDIJCUBPSA-N 367.558 5.455 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Br)cc2)C1 408564262 XNJACTXJZLWJIA-XTZCOPOCSA-N 350.300 5.550 30 40 FKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/OCc2ccccc2C#N)o1 408590255 GYLWESUDWBOGAB-FSJBWODESA-N 350.805 5.331 30 40 FKEB O=C(O)c1ccc(/N=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 408911636 ANSYIBDFTGYKCZ-JAIQZWGSSA-N 370.202 5.158 30 40 FKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCCC 409116713 LCEFKYMXXLMKOJ-UHFFFAOYSA-N 355.478 5.223 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1C 409208452 BSIUYABBYAWMDI-ZVHZXABRSA-N 359.425 5.331 30 40 FKEB O=C1C(O)=C(CCC[C@H]2CC[C@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 4353331 AWYKAOYJOQIVKI-GVDBMIGSSA-N 352.474 5.655 30 40 FKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5163935 NCZNESGIWCKTFZ-HMAPJEAMSA-N 362.469 5.945 30 40 FKEB CCCCCCCCCCC[C@@H]1CC(=O)[C@@H](CCCCCC)C(=O)O1 97978725 TYBPYMSSRRRYRQ-WOJBJXKFSA-N 352.559 6.379 30 40 FKEB in-vitro COc1cccc2c(C=C3C(=O)CC(C)(C)CC3=O)c(-c3ccccc3)[nH]c12 408841361 IKWWCPNUKOUPIO-UHFFFAOYSA-N 373.452 5.185 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2C)cc1Cl 409010325 CBXJZIVMDIUUMN-LVCXCXRVSA-N 359.853 5.363 30 40 FKEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(-c3cccc(F)c3)o2)c1 409020789 TYGKPONNGHOXBW-SSDVNMTOSA-N 357.768 5.276 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(C#N)c1C 409076261 ACYPOAUGTZILQP-LSFURLLWSA-N 368.776 5.130 30 40 FKEB COc1cccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 409244421 CKXCUPWKIYDWDI-CIAFOILYSA-N 370.246 5.777 30 40 FKEB CCCCCCCCn1c(NCc2ccccc2O)nc2ccccc21 1790193 XSURQBQGKNYCED-UHFFFAOYSA-N 351.494 5.715 30 40 FKEB N#Cc1c(/N=C/c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccccc1 5604438 NSNWTBIWGSYNFF-WGOQTCKBSA-N 364.404 5.941 30 40 FKEB CCOc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)cc1Cl 5953442 BVHZTEVFDPDFEA-UHFFFAOYSA-N 356.636 5.496 30 40 FKEB CCCCCCC(=O)/C=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 17123720 WBAONCHOBJOYPA-QINSGFPZSA-N 367.445 5.727 30 40 FKEB CSc1ccc([C@H]2C3=C(CCCC3=O)N=C3C2=C(O)c2ccccc23)cc1 95483836 GWCHMQIMTOHQSH-IBGZPJMESA-N 373.477 5.285 30 40 FKEB Brc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 408722093 DJEVAXSFXQKFIY-RGVLZGJSSA-N 369.287 5.422 30 40 FKEB Cc1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1Br 409100541 ULJVHMVGVGQKBK-CIAFOILYSA-N 361.258 5.247 30 40 FKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1 4240875 LRNSKEMAIABAKW-XCVCLJGOSA-N 366.052 5.108 30 40 FKEB C[C@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccccc2)C1 4553650 FMBLAAXKAHEDLH-WTJYETQFSA-N 374.509 5.876 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(F)cc3)C2=C(O)C1 4663780 KDGGFLQIMUHKOL-LJQANCHMSA-N 367.464 5.639 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5824699 MAMOSMXGIKGYGQ-OYKKKHCWSA-N 368.432 5.925 30 40 FKEB biogenic CC1(C)[C@H]2CC[C@]1(C)/C(=N\Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 13301749 PNSLDFSWGWJLPV-JSHBZVNWSA-N 370.478 5.332 30 40 FKEB O=C1/C(=C/c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 17282211 TYTGDSMNTJULHF-WELATPIXSA-N 374.440 5.634 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 18199254 FIGRHSNFIWXENI-LJQANCHMSA-N 353.849 5.246 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3C(F)(F)F)c2C#N)C1 24774947 GTUBHVIDEZUSPD-JTQLQIEISA-N 364.392 5.016 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3cccs3)o2)CC1 27562611 MYQGJTFUOOGSLK-FYJGNVAPSA-N 356.495 5.518 30 40 FKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)o1 33423860 RCHAIIRBYLXUHO-JLHYYAGUSA-N 372.399 5.476 30 40 FKEB CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 38143734 NRSDQEWAMHRTMK-KTKRTIGZSA-N 374.565 7.280 30 40 FKEB biogenic,in-vitro CCCCCCCCCCNC(=S)NCCc1ccc(Cl)cc1 100984945 WVFXOBBCTFVCLH-UHFFFAOYSA-N 354.991 5.487 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3C)c2C)cc1 408756768 UJVAMMCLPYQSAT-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1C 409199411 CMPWLTVQYZOWCK-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084859 FYBHBBKESHGKEN-CJAKRPKWSA-N 366.417 5.055 30 40 FKEB Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 8745184 UNZOKLAOCFFZED-UHFFFAOYSA-N 373.481 5.115 30 40 FKEB CCCCCCCC[N+]([O-])(CCCCCCCC)CCCCCCCC 100057649 ZYQLPCAMAXPPMD-UHFFFAOYSA-N 369.678 8.383 30 40 FKEB CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525791 YLIJVRUEEWZBLN-UHFFFAOYSA-N 374.331 7.376 30 40 FKEB CCCCO[C@H](C)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083807949 HITJTBGPZTXHIG-QMMMGPOBSA-N 364.248 5.229 30 40 FKEB CC[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 996030 KGUVIGJUPJRIDZ-AWEZNQCLSA-N 360.482 5.540 30 40 FKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1ccccc1F 1079495 UPXFNTHOUUGRHI-HNNXBMFYSA-N 369.823 5.007 30 40 FKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc(C)c1C 1275144 NRAIHKZGCCRQID-SRZZPIQSSA-N 353.443 5.151 30 40 FKEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccccc2Cl)c1O)CCCC3 4805345 UJVGLDBEFDFFRI-UFFVCSGVSA-N 370.792 5.329 30 40 FKEB COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)c(Cl)c2)cc1Cl 4871595 MYSDLFHSRICLGQ-XHQRYOPUSA-N 365.260 5.244 30 40 FKEB O=C(/C=C/c1cccs1)c1ccc(OC(=O)c2ccccc2Cl)cc1 5277945 WOIKAVLJSNGODF-VAWYXSNFSA-N 368.841 5.517 30 40 FKEB CCOc1cc(/C=C2\S/C(=N/c3cccc(C)c3C)N=C2O)ccc1O 6464479 ZJCHNXPUXKRXIW-WQRHYEAKSA-N 368.458 5.140 30 40 FKEB C=CCOc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCc1ccccc1-2 8642651 NZJVSJDXELHCHE-UHFFFAOYSA-N 372.855 5.604 30 40 FKEB C=CCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 11979313 OBTICMJMEDVRDM-UHFFFAOYSA-N 366.273 5.171 30 40 FKEB O=C(/C=C\Sc1nc2ccccc2o1)c1cccc(Br)c1 16545271 RKBMUGZBUGFBDU-HJWRWDBZSA-N 360.232 5.079 30 40 FKEB C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 33743642 JZYJLHLMFBDUNH-UHFFFAOYSA-N 366.244 5.209 30 40 FKEB COc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1Cl 198081399 CWQNAUBWBYDVIL-MMTYYTLLSA-N 370.924 6.130 30 40 FKEB Cc1c(/C=N/Nc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 408589538 LSBSLKQBMGHRFD-MFKUBSTISA-N 357.432 5.583 30 40 FKEB C=CCOc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409121142 YPYLHQGIFPVLNL-UHFFFAOYSA-N 365.860 6.309 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 409186445 CAYDNFUPBYBYJF-HZHRSRAPSA-N 364.514 5.965 30 40 FKEB Cc1ccc(Cn2cc(/C=C3\Cc4ccccc4C3=O)c3ccccc32)cc1 409371097 GAQIDQKSLNOGKB-RCCKNPSSSA-N 363.460 5.820 30 40 FKEB C=CCSc1nnc(-c2cc3cc4ccccc4nc3s2)n1CC 4053803 KGGXZICELZDVIY-UHFFFAOYSA-N 352.488 5.006 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 4544240 ZSMQXOOEEVDDDQ-HYARGMPZSA-N 361.470 5.684 30 40 FKEB COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4802647 UGWNKYKPHMNJKO-KLDSZTKKSA-N 365.517 5.493 30 40 FKEB COc1ccc2ccccc2c1/C=N/N(Cc1ccccc1)c1ccccc1 4923679 KZEBIRKEAIQXEJ-NLRVBDNBSA-N 366.464 5.889 30 40 FKEB C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C#N)c2C1 5185855 XAFYWNNERUOKSZ-SECBINFHSA-N 365.285 5.304 30 40 FKEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c2ccccc2cc2ccccc12 6536397 AYPHDBUYUJQPAF-OUKQBFOZSA-N 353.377 5.797 30 40 FKEB C=CCN(Cc1cccs1)c1ncnc2sc(-c3ccccc3)cc12 6550968 VMKLMPMHPFPMFM-UHFFFAOYSA-N 363.511 5.612 30 40 FKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1 8277957 GCGSIBLGERYBKY-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl 13640000 IEGBMBHBBRZNOT-GOSISDBHSA-N 372.255 5.221 30 40 FKEB CCCCCCCCNc1cc(C(C)C)c(C#N)c2nc3ccccc3n12 50860136 UHJQFWKBHFCHGC-UHFFFAOYSA-N 362.521 6.255 30 40 FKEB O=[N+]([O-])c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[N+](=O)[O-] 59457049 KBLPOVULSNVCNL-JFMUQQRKSA-N 374.356 5.004 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc4c5c(cccc35)CC4)S2)cc1 408760288 WEDOZAIFUFKYJN-MOSHPQCFSA-N 370.477 5.138 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccccc1F 409208937 AWCIRPIPIJDMRN-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CSc1nc(C)c(C(=O)OC(C)C)c(-c2ccc(C(C)C)cc2)c1C#N 2225379 HCQBPXPQLGDJPZ-UHFFFAOYSA-N 368.502 5.339 30 40 FKEB COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1 6341423 OAVDHTWBAPWGLT-WYMLVPIESA-N 374.436 5.179 30 40 FKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 8084550 XJCUINYKTDBGCZ-AFUMVMLFSA-N 367.851 6.371 30 40 FKEB N#Cc1c(SCc2ccc(F)cc2)nc2c(c1C(F)(F)F)CCCC2 9422715 OTENZPMJJMYJOV-UHFFFAOYSA-N 366.383 5.282 30 40 FKEB CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccc(C)cc2)n1 19820673 LXNZIWUUSGAMPN-UHFFFAOYSA-N 364.518 5.348 30 40 FKEB Cc1cc(C)c(/C=C2\S/C(=N/c3c(C)cccc3C)NC2=O)cc1C 33039433 REMGWRGIWFBZOR-WQRHYEAKSA-N 350.487 5.120 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(C(=O)O)cc3)cc1)C2 100102519 JKCWZLHSYXYWJV-DHRITJCHSA-N 370.452 5.272 30 40 FKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)cc1 408603495 RIYLJQZMPJBFMA-OEAKJJBVSA-N 365.502 5.247 30 40 FKEB COc1cccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 408973827 CARQWLGXMZWWAC-YDZHTSKRSA-N 358.353 5.430 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc2ccccc12 409100422 NFCYZFMTCXEMEK-LFVJCYFKSA-N 360.457 5.208 30 40 FKEB c1ccc(N/N=C(/Sc2cccc3cccnc23)c2ccccc2)cc1 5899101 WMJYEBITWGFILL-YYDJUVGSSA-N 355.466 5.801 30 40 FKEB Cc1ccc(/N=C2/N=C(O)S/C2=C\c2ccc(C(C)(C)C)cc2)cc1 32597686 RHOXWLKAMYTGRU-AQTBWJFISA-N 350.487 6.024 30 40 FKEB Cc1cccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)c1 59194511 DZJGDQQYGXBNQV-OEAKJJBVSA-N 373.481 5.630 30 40 FKEB CCCCCCCCCc1ccc(-c2nnc(-c3ccccc3O)o2)cc1 101522761 NRAFPOXZZFVICA-UHFFFAOYSA-N 364.489 6.402 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1C#N 225848727 SHUXGODTOKMGGF-JOCHJYFZSA-N 374.525 5.441 30 40 FKEB O/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327416 UDMKVQCAXYCBIK-SWNXQHNESA-N 365.043 5.687 30 40 FKEB Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408937195 NBMGNSDRYYUKIA-OCMSHMNRSA-N 364.492 6.572 30 40 FKEB CC(C)CCOc1ccc(/C=N/[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4738399 QGQHASDHCHVCFK-ZWHPZFCGSA-N 353.550 6.135 30 40 FKEB CC/C(=N\OC(=O)c1cccc(Cl)c1)C(=O)c1c(C)cc(C)cc1C 5523080 IFQFKBNFJYGZMV-OQKWZONESA-N 357.837 5.071 30 40 FKEB Oc1c(/C=N/c2cc(C(F)(F)F)ccc2Cl)sc2ccccc12 5668434 SDJDDIOFLZKWNL-ODCIPOBUSA-N 355.768 6.030 30 40 FKEB CCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 28536893 LLHUGCSADCEHKM-UHFFFAOYSA-N 364.526 5.962 30 40 FKEB biogenic CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225846844 UJTMBXCQJCOCAS-IERDGZPVSA-N 360.498 5.050 30 40 FKEB Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(Cl)cc1 408590802 HZEPXIOVPDVIKD-CFRMEGHHSA-N 363.848 5.170 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3cccc(C(=O)OC)c3)c2C)cc1 408761150 CIVWMZUTMVKSEP-IWIPYMOSSA-N 360.457 5.194 30 40 FKEB O=C(Nc1ccccc1)c1c(/N=C\c2cccs2)sc2c1CCCC2 408847460 MYUVIMDPUNROPR-BKUYFWCQSA-N 366.511 5.691 30 40 FKEB Cc1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C#N)c1C 2757266 PGMJGZKQXLGIHR-GQCTYLIASA-N 351.258 5.195 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3cc([N+](=O)[O-])ccc3F)ccc21 5333746 AHUWVBGYZRKYHY-YDZHTSKRSA-N 361.376 5.612 30 40 FKEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 32615591 AEFRWSZOBCHMHU-JOCHJYFZSA-N 372.493 5.050 30 40 FKEB CCCCCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 97941890 HBJAGXOFAURSOT-UHFFFAOYSA-N 363.851 6.828 30 40 FKEB CCCCCCCCCCc1c(C)nc(N2CCc3ccccc32)[nH]c1=O 102241507 WIPWZMGUSYULRI-UHFFFAOYSA-N 367.537 5.456 30 40 FKEB C(=N\c1ccc2c(c1)Cc1cc(/N=C/c3ccccc3)ccc1-2)\c1ccccc1 104050808 YMZBHUHJIBQDTG-SVJPUMPYSA-N 372.471 6.759 30 40 FKEB Cc1ccccc1N/N=C1/C=C(c2ccc(Oc3ccccc3)cc2)OC1=O 408725703 MVUWXLOEQJAVOK-DAFNUICNSA-N 370.408 5.153 30 40 FKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408777074 VESNGRBWOYAERQ-SSDVNMTOSA-N 371.799 5.545 30 40 FKEB COc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)c2ccccc12 408979127 LMHZYHMWMYUSAM-UHFFFAOYSA-N 365.436 5.170 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N\c1cccc(Cl)c1Cl 409244003 WDMSUVARGSYQFU-XKZIYDEJSA-N 363.288 5.743 30 40 FKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 1435140 BZNZGPVZGPTFSX-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1c(-c2ccco2)nc2ccccn12 1446252 OXVZEFVCVHTNFK-UFFVCSGVSA-N 372.211 5.357 30 40 FKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(Cl)c1O 6554906 HTSQMUTZTNAENS-JZOCJUILSA-N 366.686 6.072 30 40 FKEB Oc1c(Br)cc(Cl)cc1/C=N/c1cccc2ccccc12 16526183 LSMFPHDACRGJJV-KEBDBYFISA-N 360.638 5.712 30 40 FKEB CCCCCCCCCCCCCCCCCCP(=O)(OC)OC 97976226 FPYLHOQPWCQAIJ-UHFFFAOYSA-N 362.535 7.734 30 40 FKEB CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 100003479 WODHCUQSMMCWJW-CALCHBBNSA-N 365.448 5.990 30 40 FKEB COc1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 109509784 YWBNNYRKGZRSSN-MYYYXRDXSA-N 361.485 5.619 30 40 FKEB C=CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 223649587 KXNVOCLWSOUSLH-UHFFFAOYSA-N 369.530 5.071 30 40 FKEB CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)c1 408691749 OSTZPCOETAJPHS-ACCUITESSA-N 360.409 5.328 30 40 FKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 408852878 NUOZGCRFRPXWCD-WIXUPIFPSA-N 354.862 5.096 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1cc(C)ccc1C 408907005 KYPOWPIAAMUGMD-FTIPTLOASA-N 354.450 5.066 30 40 FKEB C(=N/Nc1nc2ccccc2[nH]1)\c1cn(Cc2ccccc2)c2ccccc12 409044714 OWDLQFUGXYMPLB-ZVHZXABRSA-N 365.440 5.012 30 40 FKEB C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2230007 FBJPUDCIVUSVTN-UHFFFAOYSA-N 360.548 5.120 30 40 FKEB O=C1/C(=C/c2cccc3ccccc23)CCC/C1=C\c1cccc2ccccc12 4567284 RQLOEGRFORZSTA-SIHVKLMXSA-N 374.483 7.213 30 40 FKEB CC(C)Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 16676457 JMCIJUFTRRXCFZ-SRZZPIQSSA-N 371.893 5.697 30 40 FKEB CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16917203 HVECIOWVJFWABA-UCTDAWJDSA-N 372.425 5.230 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242145 MODXRCZVGXMQRA-WGOQTCKBSA-N 373.496 5.692 30 40 FKEB CCN1C/C(=C/c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 23230643 DBRWZDDZJNDGSW-MJZABRMRSA-N 372.295 5.365 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 97941895 ZPUNBRINUDCUGS-UHFFFAOYSA-N 367.533 7.338 30 40 FKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)OCCCCC)cc1 98001386 KDDJWZSWZNKGEL-UHFFFAOYSA-N 361.526 6.113 30 40 FKEB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 100286611 DGKAJFBWCOTIQA-MQNZSRATSA-N 373.537 5.347 30 40 FKEB C=CCOc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 408736640 YNANKTPSCXASIN-GUXCAODWSA-N 372.295 6.385 30 40 FKEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 408779001 ORHWPAGXSNOIBX-JJFYIABZSA-N 352.821 5.227 30 40 FKEB CCCCN(CCCC)c1ccc(C=C2C(=O)c3ccccc3C2=O)s1 2389331 KEOWQFSDZLMXFK-UHFFFAOYSA-N 367.514 5.617 30 40 FKEB CCc1ccc(-c2csc(N/N=C(\C)c3ccc(OC)cc3)n2)cc1 4957147 BWHIRSCQVOGZDC-HYARGMPZSA-N 351.475 5.217 30 40 FKEB N#Cc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 4979175 DPASTQPUMATEKY-RGEXLXHISA-N 366.445 5.591 30 40 FKEB N#Cc1c(Cl)ncc2c1Nc1ccccc1[C@@H]2c1c[nH]c2ccccc12 5101067 YVEWMUOLYRUHRU-LJQANCHMSA-N 356.816 5.325 30 40 FKEB Cc1cc(/N=C/c2cc(Br)c(Br)o2)ccc1F 408854255 AYNRMYZZXDPEBZ-OMCISZLKSA-N 361.008 5.003 30 40 FKEB COc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409077648 GHIQTJMPVULGEY-MFKUBSTISA-N 361.485 5.619 30 40 FKEB CCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330261 SJOYXRJDEYROJC-MSUUIHNZSA-N 356.463 8.222 30 40 FKEB CC(C)(C)c1cc(NC(=O)c2cscc2C(F)(F)F)c(C#N)s1 598826778 SZXAIRQEACJODQ-UHFFFAOYSA-N 358.410 5.250 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCCC2 2082951 BXCRTTPJTAZNQT-FMIVXFBMSA-N 354.450 5.070 30 40 FKEB CC(C)(C)c1cc(/C=N/c2ccc3ccccc3c2)cc(C(C)(C)C)c1O 3090074 STGXTXDMFKBZSP-WGOQTCKBSA-N 359.513 6.891 30 40 FKEB N#Cc1ccc(/C=C\c2ccccc2/C=N/Nc2ccccc2)c([N+](=O)[O-])c1 5603826 CHYFQTBWBGACDI-CWAPQKNJSA-N 368.396 5.083 30 40 FKEB C[C@H]1CCC[C@H](C)N1CC#CCCCCC#CCN1[C@@H](C)CCC[C@H]1C 67194109 WHEUQNRQTPXCSA-NEWJYFPISA-N 356.598 5.079 30 40 FKEB O=C(c1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101475066 HBVYGTSKLVQWCM-UHFFFAOYSA-N 374.202 5.491 30 40 FKEB C=CCOc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 408573327 BHEDMSOSEUDTIN-HAVVHWLPSA-N 355.437 5.431 30 40 FKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 409054613 UHEVMNAWOKAQAV-HZHRSRAPSA-N 363.486 5.519 30 40 FKEB CCCCCCCCNC(=O)Nc1cc2cccnc2c2ncccc12 409317471 UCDMXIDZGTXONJ-UHFFFAOYSA-N 350.466 5.265 30 40 FKEB COc1ccc(Cl)cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 843766 VLTUBRVAAQIEEE-YBFXNURJSA-N 368.841 5.938 30 40 FKEB C=C1N(CCCCN2C(=C)C(C)(C)c3ccccc32)c2ccccc2C1(C)C 3066066 HXDHFOLEIOIDCY-UHFFFAOYSA-N 372.556 6.390 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)CCCC(C)C)[C@H]3C[C@@H]12 4043771 RINUGOBJPTXRGQ-IJOIENHYSA-N 361.570 5.105 30 40 FKEB biogenic O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(Br)cc1 4750802 MYPHVKDVSCJWAO-JXMROGBWSA-N 355.153 5.364 30 40 FKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc3ccccc23)n1 9340257 SETHEGZEMGKZAQ-UHFFFAOYSA-N 358.388 5.726 30 40 FKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccccc3)c(-c3ccccc3)c2c1 12497043 LCSSWLIVMOHRDX-FYWRMAATSA-N 365.432 5.400 30 40 FKEB Clc1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1Cl 32647129 LRFAGHFBUWVBBT-UFWORHAWSA-N 351.624 5.036 30 40 FKEB CCCCCCCCCCCCCCCCCCSC[C@@H](O)CO 85478351 WHCHVADSXPASOY-NRFANRHFSA-N 360.648 6.334 30 40 FKEB O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 98072889 FPJLYPBGFKTIIO-UHFFFAOYSA-N 366.236 5.507 30 40 FKEB COC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C 408692309 JNKTYLRJRJHXQE-BUHFOSPRSA-N 373.452 5.085 30 40 FKEB O=C(O)c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 409208501 CAHANCWTEOXPQC-YDZHTSKRSA-N 365.816 5.368 30 40 FKEB O=C(CCN1CCCCC1)/C(=C\c1ccc(Cl)cc1)c1ccccc1 1733646 WADVUPXVTWZJPV-FXBPSFAMSA-N 353.893 5.326 30 40 FKEB C=C(C)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 2661225 ADRHEKRTUJELGG-UHFFFAOYSA-N 373.522 5.136 30 40 FKEB CC(C)(C)C1=CC(=Nc2ccc3c(c2)OCCO3)C=C(C(C)(C)C)C1=O 4828619 SVGMWEICOJJRAR-UHFFFAOYSA-N 353.462 5.058 30 40 FKEB C(=N/Nc1ccc2ccccc2c1)\c1c(-c2ccccc2)nc2sccn12 5071836 NRIGIKULVRVSRM-HZHRSRAPSA-N 368.465 5.662 30 40 FKEB CC[C@@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C1 16636858 NQKMPWCUVMNGNF-LLVKDONJSA-N 370.283 5.501 30 40 FKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)cc1 26963423 CEVMXPMLMUFLDU-QFIPXVFZSA-N 355.437 5.413 30 40 FKEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccc(OC)cc1 27586220 LMHXMUVEJAVLOF-UHFFFAOYSA-N 370.456 5.185 30 40 FKEB COc1ccc(/C=N/c2c(-c3ccc(OC)cc3)nc3cccc(C)n23)cc1 35616285 SOPQCXIVOJQKAS-BUVRLJJBSA-N 371.440 5.078 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl 95917935 SXPLKOMMFMGVKK-AERZKKPOSA-N 368.569 6.122 30 40 FKEB CC[C@H]1CCc2c(c(-c3ccccc3)n3c(nc4ccccc43)c2C#N)C1 170622704 SKIWMZYFFHQGFF-INIZCTEOSA-N 351.453 5.541 30 40 FKEB Cc1cc2c(cc1/C=N/c1ccc(O)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223591387 USANHWOCKAIYSS-ZZQPOVDQSA-N 350.506 5.952 30 40 FKEB O=[N+]([O-])c1ccccc1/C=C/C=N/N=C(c1ccccc1)c1ccccc1 3271342 XBOABALBBNNQJD-ZDERQUDASA-N 355.397 5.131 30 40 FKEB Oc1ccc2ccccc2c1/C=N\c1ccc(/N=N/c2ccccc2)cc1 3897517 LLHTVCHNLOWMLO-SFFYKXJYSA-N 351.409 6.711 30 40 FKEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 5453646 FTARZBXTWRKFTF-UHFFFAOYSA-N 354.457 5.672 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1ccc2c3c(cccc13)CC2 13122566 JDNLNJFDBFKBCG-SRZZPIQSSA-N 352.231 5.157 30 40 FKEB O=C(/C=C/Oc1cccc2ccccc12)c1ccc(Br)cc1 16545051 FUPQBGMDXWICJU-OUKQBFOZSA-N 353.215 5.378 30 40 FKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 59426924 SACMBFPADRTKMB-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923839 QJKBUSGUNXZSRG-UUWSZZHFSA-N 358.566 5.543 30 40 FKEB biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C1/C=CC(=O)S1 118926267 XLKXECJPNJSIGX-GUCHLMQISA-N 370.558 5.394 30 40 FKEB C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 219786111 BAPHETJVOXCVJB-QGZVFWFLSA-N 351.490 5.430 30 40 FKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 408739998 HKZNVIPLBVEISI-OEAKJJBVSA-N 351.881 5.564 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)c1 408760356 XFDTWWVYGZCMSM-QRVIBDJDSA-N 361.445 5.678 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(F)c(Cl)c2)c1C 408965797 IPNPNWXRQKDMIP-ZMOGYAJESA-N 354.856 6.200 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 409215147 ZYBGFLRABHUWJX-UCQKPKSFSA-N 360.413 5.541 30 40 FKEB COc1ccccc1/C=C/C1=C(C)C(=O)C[C@@H](c2ccccc2OC)[C@@H]1C 5395638 MMBWSOJWZHGXOX-QZLFRKKKSA-N 362.469 5.426 30 40 FKEB CCCC/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1CCCC 5552226 JWTAAMNZUSOAAE-ISRZJSKBSA-N 350.915 5.213 30 40 FKEB O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccc(Br)cc1 17288970 HADJEVHTUPMYGT-HMMYKYKNSA-N 363.254 5.873 30 40 FKEB C/C(=N/OC(=O)CCc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 30836344 OAABPKDPXMJQAE-UQQQWYQISA-N 355.437 5.158 30 40 FKEB CCCCCCCCCCCCCCC[C@H](CCN(C)C)OC(C)=O 100932688 ZELSHWYPFWTLKL-JOCHJYFZSA-N 355.607 6.351 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(OCC)cc1 103370576 DBVYNMDHRAKEEU-LSDHQDQOSA-N 370.905 5.687 30 40 FKEB COc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 408852971 OSDMANYNAZMXSA-XIEYBQDHSA-N 367.452 5.980 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(C(=O)OC)c2)c1C 408960549 MRXMMRODRGLRKR-MYYYXRDXSA-N 374.484 5.502 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1 409244208 ZOCKXEHKOVHPAO-YDZHTSKRSA-N 355.865 6.689 30 40 FKEB N#Cc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)nc2ccccc12 991099 MXNOVRLGAFXKBX-UHFFFAOYSA-N 350.377 5.130 30 40 FKEB CCCCCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 3092205 ZJTCAADPMQPSTD-UHFFFAOYSA-N 370.518 5.623 30 40 FKEB Cc1cccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 4175324 KJIATDAZVOPESK-XQNSMLJCSA-N 352.850 5.112 30 40 FKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4753774 PLKTYAMJMZBFGP-BUVRLJJBSA-N 360.457 5.813 30 40 FKEB O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccccc1 4853532 JFGWRUHCOMDLLK-PKNBQFBNSA-N 353.215 5.605 30 40 FKEB C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 5500057 OSPUWZSOPSZCHZ-UHFFFAOYSA-N 371.550 5.136 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 8368034 DKSWORCSGODWCL-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CCCCCCCCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 33354763 XOXIOEGQOQJSHJ-NRFANRHFSA-N 367.489 5.061 30 40 FKEB biogenic N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1C1CCCCC1 223663368 YTLJTABZJBGICW-UHFFFAOYSA-N 374.513 5.424 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 226333592 HCPPEHWHWSWCSE-CSKARUKUSA-N 363.240 5.315 30 40 FKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc(F)c1 409216763 LIHXVVKZEQPLRF-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(O)cc2)cc1 3243263 XWOSMMCGWQHCBL-BUVRLJJBSA-N 369.424 5.004 30 40 FKEB N#Cc1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 3289856 WNHWRGMKWKTLST-CVKSISIWSA-N 366.399 5.301 30 40 FKEB C/C(=N/Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(Cl)c1 4321299 CQFOLHFVQCNKBL-FBHDLOMBSA-N 363.273 5.348 30 40 FKEB Cc1ccsc1/C(S)=N\c1ccc(Cl)c(/C=N/OC(C)(C)C)c1 6491640 SQQWWYVPSWFCLQ-VXLYETTFSA-N 366.939 5.867 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 6571368 VLCBTQVUWWGWBW-SRZZPIQSSA-N 361.804 5.047 30 40 FKEB Cc1ccc(C)c(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)c1 8368229 CFPCLECYQZZODJ-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)ccc1Cl 16282342 PWZDUYUNYYBOHU-UHFFFAOYSA-N 365.864 5.564 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2C(C)C)c1C 59104073 AQAJIURHZUTKEP-WGOQTCKBSA-N 358.529 6.839 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)C 104176132 KKIJZWOPMWEAIV-UHFFFAOYSA-N 354.619 7.837 30 40 FKEB CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929571 PXCKOQHPOYLYPE-KZJFZMNRSA-N 358.522 5.086 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)cc1C 408743172 ZNYKORPPUINFKK-QQXSKIMKSA-N 358.529 6.759 30 40 FKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1 408754094 DISJDOJBVPICGP-UCQKPKSFSA-N 351.881 5.564 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccccc1Br 409000705 ZPSQIAOWFLOPQA-FYJGNVAPSA-N 368.278 5.303 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(O)cc1 409023415 MJWHZTSDXJPYAP-NDENLUEZSA-N 355.235 5.004 30 40 FKEB O=C(O)c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 409250661 NKHSSIDVGQPIQM-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB C=C(Cl)COc1cc2oc(=O)c(CCCCCC)c(C)c2cc1Cl 1806209 BXAUUOZJOXYMRI-UHFFFAOYSA-N 369.288 6.009 30 40 FKEB O=C(/C=C/c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 6339351 QBCHLWKVAJEQKT-NTEUORMPSA-N 363.254 6.012 30 40 FKEB Clc1ccc(Cl)c(/C=N\Nc2nc3c(s2)CCCC3)c1Cl 16755116 RWVLPYJPIAPXAS-WSVATBPTSA-N 360.697 5.428 30 40 FKEB COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(Cl)cc3)s2)cc1 33696063 XSFGGWFPFDWYSL-BENRWUELSA-N 354.858 5.973 30 40 FKEB Oc1ccc(Cc2ccccc2)cc1/C=N/Nc1nc2ccccc2s1 59417904 HAQJFQHNXNFIOX-HYARGMPZSA-N 359.454 5.039 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408586260 MISBWEOIXDRJIT-UHFFFAOYSA-N 370.449 5.586 30 40 FKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967990 TXGMTGPPAAPTAJ-ONUIUJJFSA-N 373.544 6.208 30 40 FKEB CC(C)(C)c1ccc(O)c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 826569 KZBMZXAHZGTLCM-YDZHTSKRSA-N 353.849 6.354 30 40 FKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CC1 1431381 CRKZDVKLSHHJBB-MRXNPFEDSA-N 359.256 5.306 30 40 FKEB CC(=C/c1ccccc1)/C=C1\S/C(=N\c2ccc(Cl)cc2)NC1=O 2433777 BWHSFTRUFFZNEW-RQGFIEOQSA-N 354.862 5.178 30 40 FKEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 3088120 FPLWAMRGWMQYAI-UHFFFAOYSA-N 366.505 5.855 30 40 FKEB biogenic C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 32100473 RUJNTQPPRIIPLX-CSKARUKUSA-N 368.633 5.440 30 40 FKEB CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@@H](C)O 95762540 FPUPOIFZQAFGAI-JOCHJYFZSA-N 369.634 6.477 30 40 FKEB CCCCCCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 100314574 AUYNCUHACGSQRQ-UHFFFAOYSA-N 354.446 5.192 30 40 FKEB CCCCCCCCCCCCCCCC/N=C\c1ccccc1[N+](=O)[O-] 104364162 NBYPHQTTYMLIAF-FLFQWRMESA-N 374.569 7.495 30 40 FKEB N#Cc1cn(C(=O)c2ccc(Oc3ccccc3)c(F)c2)c2ccccc12 226362334 WHWKPFXVHBWERL-UHFFFAOYSA-N 356.356 5.133 30 40 FKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccccc2Cl)cc1 408960094 JJJYUZQIMKDOOL-QRVIBDJDSA-N 365.816 5.368 30 40 FKEB COc1cc(C#N)ccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc12 6834472 NJUSQQMIRXATAH-UHFFFAOYSA-N 367.408 5.278 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 8116561 ZIPVQPYCXSWZKY-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3cccc(C)c3C)n2)c(C)c1 44827479 OZYSBVQJXQKBOO-NCELDCMTSA-N 360.486 5.384 30 40 FKEB Oc1ccc(/N=N/c2nonc2-c2ccccc2)cc1/C=N/c1ccccc1 100108715 GUWQIBFZRPWQSF-OEGUDMMCSA-N 369.384 5.608 30 40 FKEB FC(F)(F)c1cccc(/N=C/C=C/Nc2cccc(C(F)(F)F)c2)c1 100470412 RZUIQNCSIZJPGE-FKVISXIQSA-N 358.285 6.052 30 40 FKEB C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccc(C)cc1)[Si](C)(C)C 197883493 OSWNDTXYPNOYTI-DQRAZIAOSA-N 350.654 5.977 30 40 FKEB C=CCN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 409100584 VBCKJQNUQUWICC-LGMDPLHJSA-N 353.468 5.060 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C(C)C)cc1 409107558 WTZWHMMKYZMSPD-HZHRSRAPSA-N 352.478 5.178 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 409200799 JOIFEAZLTRLWOZ-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB O=C(c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242620 BDQNOWQNZWQHIP-UHFFFAOYSA-N 374.202 5.491 30 40 FKEB C=CCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 4816217 TYZSMMIJLCXKEQ-JOCHJYFZSA-N 366.530 5.109 30 40 FKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)c1 8362909 WMIXBISPLRITQC-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB C=CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\c1ccc(OC)cc1 102916161 BOPRUCAGYSHDRE-DQRAZIAOSA-N 350.487 5.260 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccccc1)C2=O 118916147 BXEKJWVUCNPPSL-JEIZUCGUSA-N 362.557 6.682 30 40 FKEB biogenic Clc1ccc(/C=N\Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 408976188 QFBYTWMEDXRSJM-JAIQZWGSSA-N 369.833 5.763 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1Cl 409020568 QQGXYRQHEONYJF-VARIZKOUSA-N 356.680 6.575 30 40 FKEB O=C1C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)c2ccccc21 409393642 YQRYKGGLUDRMDD-UHFFFAOYSA-N 374.823 5.382 30 40 FKEB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)C(F)(F)F 575242604 ABVXEKWRCAMFTQ-UHFFFAOYSA-N 360.122 5.105 30 40 FKEB C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@@H](C)C(=O)c1ccccc1 4843935 BCFFUTDQTAOCOQ-XXBNENTESA-N 354.449 5.728 30 40 FKEB Cn1c(N/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc21 7343417 GZYRVFFCWQSQLL-BUVRLJJBSA-N 350.425 5.326 30 40 FKEB CC(=C\[C@@H]1C=CCCC1(C)C)/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16911506 YORFVAYQXZSQLJ-WUJHERPSSA-N 372.425 5.230 30 40 FKEB C/C(=N\c1c(C)cccc1C)c1cccc(/C(C)=N/c2c(C)cccc2C)n1 90756124 NAOKKJATLKPZMH-CRYYDKFDSA-N 369.512 6.597 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)COC 104109744 QYHQEBIHGUJHIN-GMGKOPGTSA-N 353.591 6.175 30 40 FKEB CCCCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1 408911260 JPTWGEAKGNAJAY-KLPPEWMLSA-N 366.486 5.105 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])o3)c2C#N)C1 409085198 YWRXIHJHSHNUAP-KKBVUKDESA-N 357.435 5.023 30 40 FKEB Cc1cccc(Cl)c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243050 HSXWHLAIZCPTNV-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cccc(F)c1 2247337 ROLUQNFLULEGMG-MDWZMJQESA-N 367.232 5.024 30 40 FKEB C[C@@H](OC(=O)c1ccc(Oc2cccc(C#N)c2C#N)cc1)c1ccccc1 4593284 FAEHFWDPWZSHJL-MRXNPFEDSA-N 368.392 5.140 30 40 FKEB C/C(=N\Nc1ccc(F)cc1F)c1ccc2c(c1)Nc1ccccc1S2 4867146 NHBQDDYDYWYSMV-WYMPLXKRSA-N 367.424 6.009 30 40 FKEB Fc1ccccc1/C=N/Nc1nc(-c2ccccc2F)nc2ccccc12 5033428 FLTILKWCGYIXHA-ZMOGYAJESA-N 360.367 5.021 30 40 FKEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1Cl 6053482 PFTXWDHBSOOXBF-ORCRQEGFSA-N 355.604 5.272 30 40 FKEB C[C@H](/N=C1\N/C(=N\[C@H](C)c2ccccc2)c2ccccc21)c1ccccc1 6381307 GUTRUYZWRQOSAN-HDICACEKSA-N 353.469 5.305 30 40 FKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1F 6884612 RRQGQHRONBWGIY-UHFFFAOYSA-N 366.236 5.507 30 40 FKEB CCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 8383705 JGYOERFSWKBFJH-OBGWFSINSA-N 350.458 5.849 30 40 FKEB CCCC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 16636992 YDMXFAHSBVBQHU-INIZCTEOSA-N 361.272 5.696 30 40 FKEB CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526198 CSQJVKDDAPNLED-UHFFFAOYSA-N 372.506 8.836 30 40 FKEB Fc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1 409137536 YALBGJOMTLTTIC-KOEQRZSOSA-N 360.432 5.080 30 40 FKEB COc1ccc(-n2cccc2/C=N/c2ccc(Br)c(C)c2)cc1 1097110 DHUZKQNJBUXIEI-FYJGNVAPSA-N 369.262 5.307 30 40 FKEB CCCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 2081678 YFBNZZITQZTLLP-UHFFFAOYSA-N 364.489 5.894 30 40 FKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccccc1 2219677 SKPUDFCLRLREET-QFIPXVFZSA-N 358.868 6.683 30 40 FKEB Cc1ccc(/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1C 3059474 RCZQXCUHDANYOT-WGOQTCKBSA-N 352.481 6.365 30 40 FKEB Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1 3104504 PXMCLQNRPDARBK-UHFFFAOYSA-N 362.429 5.409 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl 4980104 YASMSYWQXOACSS-SRZZPIQSSA-N 362.285 5.953 30 40 FKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 8084575 RILYYXNUEHVNHG-AFUMVMLFSA-N 367.851 6.371 30 40 FKEB CCN(CC)c1ccc(/C=N\Nc2c3c(nc4ccccc24)CCCC3)cc1 31769293 MAMNLUNRTKTHHZ-UQQQWYQISA-N 372.516 5.406 30 40 FKEB CC(C)c1ccc(/C=N\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 31854398 CLEVCUBLMADLSR-JAIQZWGSSA-N 366.446 5.288 30 40 FKEB Brc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)cc1 101746931 HFGZNXCRVKZCTH-JMIUGGIZSA-N 370.202 5.188 30 40 FKEB CCc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 198151850 RIMDQCBLRGGILU-ZVHZXABRSA-N 352.909 6.285 30 40 FKEB C=CCOc1ccc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 225558686 BNHHNDOBDFHNGI-HXUWFJFHSA-N 365.473 5.064 30 40 FKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 409051815 NESGVPJIRMYUSH-LPYMAVHISA-N 355.894 5.862 30 40 FKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)cc2)cc1 409213922 UJOYKFOEXZJCDX-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CCCCCCCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2061883 YNRNLUQKQFLJAN-UHFFFAOYSA-N 366.716 5.502 30 40 FKEB O=C(Nc1cccc(/N=C/c2ccncc2)c1)c1ccc(Cl)cc1Cl 16386075 HCJXYXTVQITKNV-FSJBWODESA-N 370.239 5.391 30 40 FKEB CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C 100047442 OGLNTVZUARMGNY-FQEVSTJZSA-N 355.563 5.693 30 40 FKEB CCCCCCCCCCCC(=O)OCCOCCSCCCC 100921104 JJULIGUOMIMPJZ-UHFFFAOYSA-N 360.604 6.000 30 40 FKEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(Br)cc1 408775773 UVQZCFULBRJORH-BKUYFWCQSA-N 359.311 5.608 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2C(C)C)cc1 408913552 MXFNPQIHRXKDTM-NFYBBCHUSA-N 350.487 5.316 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc(F)c(C)c3)o2)c(Br)c1 409249757 OJLRBIDSIODFKX-SSDVNMTOSA-N 372.237 6.216 30 40 FKEB O=C(O)c1cccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 1436719 WNRMXOXOQYINHJ-ZVHZXABRSA-N 354.409 5.138 30 40 FKEB CCCCCCC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 1865558 AGAGOSQRYHBTIQ-NTCAYCPXSA-N 372.486 5.007 30 40 FKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 1879409 NEYCKZDEDAFMTA-ODCIPOBUSA-N 372.679 6.106 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1 4511065 IJZAPZCTDOJBKO-YBFXNURJSA-N 373.821 5.438 30 40 FKEB Oc1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)c(O)c1 5054594 ZIITWTHXFYGBPD-KGENOOAVSA-N 358.507 5.524 30 40 FKEB O=C(/C(=C/c1ccccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 5071800 SAELGWAYZMVOHS-VKAVYKQESA-N 358.828 5.640 30 40 FKEB Cc1ccc(/N=C/C2=C(O)C[C@H](c3ccc(C(C)(C)C)cc3)CC2=O)cc1 18254557 RVTBCJNHVOUFDQ-BIKZULFDSA-N 361.485 5.954 30 40 FKEB Cc1ccc(C(=O)O/N=C(\c2ccccc2)c2cc3ccccc3o2)cc1 59461422 LJSBQPUHLMYVMD-ZNTNEXAZSA-N 355.393 5.351 30 40 FKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3c[nH]c4ccccc34)cc21 104047921 NIGRYPCMMGHUJO-FSJBWODESA-N 353.381 5.277 30 40 FKEB C=CCN(C(=S)Nc1cc2cccnc2c2cccnc12)c1ccccc1 104378757 NAQWYLASOQWVAS-UHFFFAOYSA-N 370.481 5.172 30 40 FKEB FC(F)(F)/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 206810122 JYJDYPJOQLXHAY-UPHRSURJSA-N 364.076 5.208 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1CC 408912061 KRRJAIBJKFYSON-PVTBXJRFSA-N 354.450 5.012 30 40 FKEB N#Cc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409079563 KYZYOTZBYDLPKW-CVKSISIWSA-N 356.469 5.482 30 40 FKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cc(C)ccc2C)c1 409201481 NMIZXMCGNAFDHZ-MFKUBSTISA-N 372.468 5.380 30 40 FKEB COc1ccc(C2=C(Nc3cc(C)cc(C)c3)c3ccccc3C2=O)cc1 6794049 CFWWVGUFSVOQFD-UHFFFAOYSA-N 355.437 5.489 30 40 FKEB Cc1ccccc1/C=C1\Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 13653599 RKQZWBIZNORGIJ-BKUYFWCQSA-N 362.425 5.097 30 40 FKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cccc(F)c1 13777349 ROLUQNFLULEGMG-JYRVWZFOSA-N 367.232 5.024 30 40 FKEB CN1/C(=C\C(=O)c2cccc(Oc3ccccc3)c2)C(C)(C)c2ccccc21 18142275 YTJDEGPJRVEMJA-ULJHMMPZSA-N 369.464 5.973 30 40 FKEB Fc1ccccc1/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl 66088705 MEVKJCKCVBHJLI-QPSGOUHRSA-N 351.130 5.597 30 40 FKEB CC(C)(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 97993103 ZILIYULDJAAMCQ-CUPKDKKMSA-N 368.476 6.384 30 40 FKEB Cc1ccc(N/N=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 100862680 WOMJFPUQDWKKNZ-QLYXXIJNSA-N 369.424 5.144 30 40 FKEB Oc1ccc2ccccc2c1/C=N/Sc1ccc(Br)cc1 104191056 VZRQUKIHINCHGV-YBFXNURJSA-N 358.260 5.434 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(C)C(=O)O 104345187 XFLXJCCWLJSPFC-QXMHVHEDSA-N 367.574 6.003 30 40 FKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1C 408912397 QCNXANHAOUYFDV-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB O=C1C2=C(OC3=C(C(=O)c4ccccc43)C2c2ccccc2)c2ccccc21 2273802 KEBFLHIPDIRMKS-UHFFFAOYSA-N 362.384 5.016 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCC2 2734073 RAYOMEKOFOZECH-DHZHZOJOSA-N 356.878 5.194 30 40 FKEB CSc1ccc(/N=C(/S)SCc2ccc(Cl)cc2)cc1Cl 6425403 ZGZVPTGQXNMTOO-UHFFFAOYSA-N 374.383 6.566 30 40 FKEB Cc1cc(C)c2c(c1)/C(=N/Nc1cc(C)c3cc(C)cc(C)c3n1)CCC2 6792776 NNNLXQVCQBNFPK-XTCLZLMSSA-N 357.501 5.929 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 8084844 LFCKHKOIPWUPNF-MFKUBSTISA-N 363.432 5.726 30 40 FKEB Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccc(Cl)cc2)cc1 8917129 UUFAPWVQHFTSTI-UHFFFAOYSA-N 367.861 5.090 30 40 FKEB C=CCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(F)cc2)n(C)c2ccccc12 9095171 XFEVBENOABVROZ-JOCHJYFZSA-N 374.459 5.390 30 40 FKEB C#CCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196022 URESWAWPLBCOIK-FSJBWODESA-N 370.283 5.013 30 40 FKEB O=C(/C=C/c1ccccc1OCc1ccccn1)c1nc2ccccc2s1 12752611 DBUOHURHSCRTGC-OUKQBFOZSA-N 372.449 5.166 30 40 FKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccc2ccccc12 20242117 JKDYWYDYPFRDIC-MTDXEUNCSA-N 365.520 7.058 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(F)cc3)cc21 223517984 CFMUVZBUVFCDEY-AFUMVMLFSA-N 350.481 6.295 30 40 FKEB Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cc1Br 260840528 AEIJLCQMRSSRSB-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408770974 BLMOGOMRLLNYIC-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2cc(Cl)ccc2C)cc1OCC 409120688 VREMWLMCSWBQEQ-UHFFFAOYSA-N 371.908 5.953 30 40 FKEB O=C(O)c1cc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)ccc1Cl 409367843 IAEOTOHENWHTID-GXDHUFHOSA-N 364.784 5.121 30 40 FKEB CCOc1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 843395 NLGGDCFYDLAWLI-HYARGMPZSA-N 363.417 5.152 30 40 FKEB COc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1Cl 1088489 ZZLQPMXFTDXNQQ-UHFFFAOYSA-N 362.820 5.073 30 40 FKEB CCCCCCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2186772 CKZDRAIDIGDKHT-HEHNFIMWSA-N 363.457 5.380 30 40 FKEB O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1cccc(Cl)c1 2246249 QUPSUYWJGHGWMZ-IBGZPJMESA-N 350.805 5.417 30 40 FKEB Cc1c(Cl)cccc1NC(=S)N/N=C/c1ccc(C(C)(C)C)cc1 3266351 AJJZJKXZXLDKCI-CIAFOILYSA-N 359.926 5.266 30 40 FKEB CC[C@@H](C)c1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 7449714 WXPDBCQZSSPGSD-IQMFZBJNSA-N 363.526 6.466 30 40 FKEB N#Cc1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCC2 9142110 VJMGVUTXODVMFN-UHFFFAOYSA-N 352.846 5.167 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C(F)(F)F)cc1C 44844264 FYCIHSQPTRVXQD-BQYQJAHWSA-N 353.771 5.784 30 40 FKEB C=CCOCCN(C)C(c1ccccc1)(c1ccccc1)c1ccccc1 96191810 YTFOVAMBTIVZFZ-UHFFFAOYSA-N 357.497 5.113 30 40 FKEB Oc1c(/C=N\c2ccc(Cl)cc2Br)ccc2ccccc12 100248613 BWIZWANOEHYZIH-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(C)(C)C)cc1 408910976 MJCLMQJLWUITTG-AFUMVMLFSA-N 374.484 5.871 30 40 FKEB CC[C@H](C)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408914581 OGDRYMAOZNVCMH-PFBSFERQSA-N 350.487 5.398 30 40 FKEB CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 1442001 DUODOFTZNTWZTP-XMMPIXPASA-N 354.453 5.189 30 40 FKEB CCCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1Br 6941734 VNTOLJQVPOTMCJ-DEDYPNTBSA-N 362.267 5.387 30 40 FKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1 8111206 UDKRMPIPTMWOJQ-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB CCCCCCCCCCCCS(=O)(=O)Nc1cccc(C(C)=O)c1 100959444 QCYXUVBMFCCZSP-UHFFFAOYSA-N 367.555 5.552 30 40 FKEB Cc1[nH]c2ccccc2c1/C=N/c1ccc2c(c1)C(=O)Nc1ccccc1O2 408720709 CQLNGTQVGKVRLX-ZMOGYAJESA-N 367.408 5.585 30 40 FKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 409217571 QEHHNDXOYYPHKM-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB CC1=C(/N=N/c2cc(O)cc3ccccc23)C(=O)[C@H](c2ccccc2)[C@H]1C 1554504455 UXOWQUMFAGQLRA-USPNBYTPSA-N 356.425 5.906 30 40 FKEB COc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 1059084 MKUBWTDCQRTPNW-JJIBRWJFSA-N 353.425 5.299 30 40 FKEB Clc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(Cl)c1 1710199 GJXDHAHGAFVFJA-FSJBWODESA-N 351.236 5.845 30 40 FKEB S=C(N/N=C/c1c2ccccc2cc2ccccc12)Nc1ccccc1 3122921 IOXANBGTOKHNTB-HZHRSRAPSA-N 355.466 5.314 30 40 FKEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 6656620 DAAXBLXNGVMRRV-UHFFFAOYSA-N 366.244 5.209 30 40 FKEB N#Cc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1 7098690 FUIAKCUSGPQOIE-UHFFFAOYSA-N 365.461 5.838 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 8371886 ZDXLWUTYFKKMSE-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB N#Cc1c(C(F)F)cc(Cc2ccccc2)nc1SCc1cccnc1 19853603 DUCDPXGTBFEBTF-UHFFFAOYSA-N 367.424 5.169 30 40 FKEB CCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCC)cc3)C2=O)cc1 33769402 KBKAXUOCBIAHQQ-NWILIBCHSA-N 362.469 5.704 30 40 FKEB C=CCOc1ccccc1/C=C1/S/C(=N\CCCC)N(CCCC)C1=O 35041938 SFAFXNHKXWRBIG-OMRXDTDFSA-N 372.534 5.124 30 40 FKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N 225755890 UAHUGFNZSYQNDN-UHFFFAOYSA-N 362.473 5.186 30 40 FKEB Cc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408749475 PCYOROFXHGCJOT-OVCLIPMQSA-N 363.269 5.193 30 40 FKEB Cc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)c1 409308315 YCAFPPAVVPWGEM-UHFFFAOYSA-N 373.500 5.252 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2Cl)cc1OC 409381993 JPBCYOBRUDCBTL-WLQYJRLHSA-N 352.261 5.930 30 40 FKEB N#Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 4651304 UHFFNLHYBMYKFN-UHFFFAOYSA-N 354.519 5.044 30 40 FKEB COc1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 14359852 ZUAWERVYKIJHTC-DNTJNYDQSA-N 374.651 5.215 30 40 FKEB CCCCCCCCCCCCCCCc1noc2c1/C(=N/O)CCC2 33354132 RNLIKOTUPOSZCH-FCDQGJHFSA-N 362.558 6.823 30 40 FKEB C(=N\N(c1ccccc1)c1ccccc1)\c1ccc(N2CCCCC2)cc1 35614765 GPTRNWWQIOVTMC-QQTULTPQSA-N 355.485 5.849 30 40 FKEB O=C1C2=C(C(=O)c3c(-c4ccccc4)ccc(-c4ccccc4)c31)[C@H]1C=C[C@@H]2C1 45071253 PASJPZRHGDKXPY-KDURUIRLSA-N 374.439 5.902 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3)c2C)cc1 100212075 GDFLWRLNZPLVDZ-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C#N 225680285 APBKVVQNBQTVKG-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1)CCCCC2 1911936316 WAOHPFHXTKBTTG-UHFFFAOYSA-N 362.473 5.018 30 40 FKEB C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCC3 2183030 BHCDMWCCVWGBIG-UHFFFAOYSA-N 362.564 5.195 30 40 FKEB CCc1ccc(C(=O)/C=C/S/C=C/C(=O)c2ccc(CC)cc2)cc1 2573022 GVHWDBGGJLPHHI-WXUKJITCSA-N 350.483 5.638 30 40 FKEB CCCC/N=C1\S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CCCC 5552202 CUERQTGMTHGMIL-BIXZQSIESA-N 355.507 5.040 30 40 FKEB CC(C)c1ccc(/C=C(/C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 12946516 AHHJUVAYQZGBBF-ZHZULCJRSA-N 368.436 5.770 30 40 FKEB Clc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c(Cl)c1 13775254 CBOQHBNVAJASPP-FSJBWODESA-N 366.251 6.287 30 40 FKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(Cl)s2)cc1 67321216 UTXWQSPOBJFCNJ-KEBDBYFISA-N 362.285 5.871 30 40 FKEB CC(C)CC[C@@]1(CC/N=C/c2ccc3c(c2)OCO3)CCOC(C)(C)C1 100759689 IJZWOXUHBZIEBU-ZZAWEDPDSA-N 359.510 5.236 30 40 FKEB biogenic CCc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 408764657 XZZDRLQXBMEXBI-HYARGMPZSA-N 362.433 5.011 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408949891 SNGDVLKNOAKBIW-FSJBWODESA-N 366.848 5.505 30 40 FKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 408961730 UZHSHGVNZHBTPZ-XIEYBQDHSA-N 355.485 6.089 30 40 FKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Nc2ccccc2)cc1 409099146 QPMXSPOMYKXAMG-HZHRSRAPSA-N 350.849 6.233 30 40 FKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccccc1 409122552 ZLIBBQDXLWLIJO-UHFFFAOYSA-N 373.496 6.005 30 40 FKEB Cc1cccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1C 409211683 MRYSCZMRNSJAET-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CCOc1ccc(/N=C2/C(=O)N3c4c(ccc(C)c42)C(C)=CC3(C)C)cc1 1322553 MQXAYEFMEPNHMI-HIXSDJFHSA-N 360.457 5.057 30 40 FKEB biogenic CC(C)(C)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 4679778 ZPZFHGWBIQVNMC-MTJSOVHGSA-N 370.909 5.067 30 40 FKEB CCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 8483267 SXKBTHFWBCTFDX-ULJHMMPZSA-N 366.877 5.366 30 40 FKEB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)c(C#N)c1 225856991 LNLIWAXNFPDRDI-UHFFFAOYSA-N 372.509 5.051 30 40 FKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 409068732 BSRIIRWLKNWKOG-XIEYBQDHSA-N 371.484 5.326 30 40 FKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 409312429 KWPRFATVYKSEHP-UNOMPAQXSA-N 372.405 5.059 30 40 FKEB Brc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 1261840 KPUQBDCDOIKXJK-UHFFFAOYSA-N 350.285 5.305 30 40 FKEB CCCCCCCSc1nsc(NC(=O)Nc2ccccc2)n1 3035278 YKGSHUYRRHSOHA-UHFFFAOYSA-N 350.513 5.245 30 40 FKEB CC1(C)C[C@@H]2C[C@@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1 4604025 JULVZMSKTWYPIV-KTCWSOLJSA-N 355.551 5.449 30 40 FKEB CCCc1nc2ccc(/N=C/c3c4ccccc4cc4ccccc34)cc2[nH]1 5398068 JGXQBRGFWSJSJC-WGOQTCKBSA-N 363.464 6.572 30 40 FKEB CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(-c3ccccc3)cc2)cc1 5713181 JJZAUFQKEDZWCP-JWGURIENSA-N 369.420 5.097 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1Cl 16711397 LGARJZUGBNIMJH-VZCXRCSSSA-N 356.878 5.297 30 40 FKEB Cc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(O)c1 101084470 XCOPWPNHAXXDES-RGVLZGJSSA-N 356.219 5.474 30 40 FKEB CCCCCCCCCCCCCC/[N+]([O-])=C/c1ccc([N+](=O)[O-])o1 104203952 HWLBMRKFSXGXGM-JZJYNLBNSA-N 352.475 5.818 30 40 FKEB Clc1cc(Cl)cc(/N=C\C=C/Nc2cc(Cl)cc(Cl)c2)c1 104313284 WCKYYJKBGZSGCJ-IZGVBACNSA-N 360.071 6.628 30 40 FKEB C#CCOc1c(CC=C)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 409121601 WZAGXQCJAIYJFB-UHFFFAOYSA-N 369.892 5.400 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccc2c(c1)OCO2 833884 LOGUBNGVYPZNII-DEOSSOPVSA-N 369.420 5.242 30 40 FKEB C/C(C(=O)c1ccccc1)=C(/CC(=O)c1ccc(C)cc1)c1ccccc1 4452640 FBELDOGVBRZPBA-FCDQGJHFSA-N 354.449 5.924 30 40 FKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2)C12CCCCC2 13739255 KSGLEAPTAKDKAL-UHFFFAOYSA-N 363.530 5.431 30 40 FKEB CCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 66351956 NFXIGJVWPXKUBF-UHFFFAOYSA-N 355.437 5.787 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[C@H](C)CC(C)(C)C4)[C@H]3C[C@@H]12 72324095 PYKDCRBJPIRCPQ-UUJRCUDDSA-N 373.581 5.059 30 40 FKEB biogenic CCCCCCCCc1ccc(/C(Cl)=C\c2ccc(OCC)cc2)cc1 95736006 GSDUCZGRMDRJKE-LYBHJNIJSA-N 370.964 7.725 30 40 FKEB C=C(C)[C@]1(C)C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104370308 KDGAGONWGJXDDT-IVZWLZJFSA-N 354.919 5.804 30 40 FKEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 208303144 DKCYNXNBPBRJNN-QQHUYRGFSA-N 366.465 5.153 30 40 FKEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222924133 IOICPMXHRACYJK-OAQYLSRUSA-N 367.489 5.345 30 40 FKEB CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225855332 MRDFUYCKUFRYGT-JLHGSKIFSA-N 372.509 5.050 30 40 FKEB Cc1ccc(Cl)cc1N=Cc1cc(Cl)cc(Br)c1O 254508953 CZWKEMJDDFTMJU-UHFFFAOYSA-N 359.050 5.521 30 40 FKEB CCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 408707291 MJVIOLJYNUHOIR-UHFFFAOYSA-N 373.324 5.189 30 40 FKEB CCCCOc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 408722331 HHARYMJYOIEKKU-HZHRSRAPSA-N 362.498 5.838 30 40 FKEB O=C(O)COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1Cl 408844421 IMTMALNZOQTOBL-YDZHTSKRSA-N 365.816 5.221 30 40 FKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccccc2Cl)c1C 408913553 LSTGIFBOCYWIMP-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc2ncccc2c1 408966884 OQTDKBOWXBLASD-AFUMVMLFSA-N 369.424 5.091 30 40 FKEB CCc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 409214261 XCENTDBVJNIXJH-IWIPYMOSSA-N 359.425 5.277 30 40 FKEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccc(F)cc1 409231851 MVTXTVWNYCXQFY-FGVWYHQHSA-N 360.841 5.103 30 40 FKEB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2084423 GCOKZAPIFFDGBD-LSDHHAIUSA-N 360.567 5.926 30 40 FKEB COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 8106442 VZRCTEUWDMDBNB-YDZHTSKRSA-N 372.251 6.545 30 40 FKEB C#CCOc1ccc(Br)cc1CNc1cccc(Cl)c1C 41640783 ZMRUMMAMIDWHKB-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB C(=N/Nc1ccccc1)\c1ccc(OCc2cccc3ccccc23)cc1 58822684 ZNHKJTSGNNAHFY-KOEQRZSOSA-N 352.437 5.865 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccc[nH]1)C2=O 118913490 XQGICSGOYOKZIM-BIFLGSCQSA-N 351.534 6.010 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 408586243 MDIAENXNNVEKLI-UHFFFAOYSA-N 353.506 6.241 30 40 FKEB CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4321405 CTWDMXRFGLDKQO-UHFFFAOYSA-N 350.874 5.971 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 5149589 PSOFHNCNFMNEMV-UHFFFAOYSA-N 355.228 5.139 30 40 FKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2ccccc2o1 6845282 UBJQZOJRPGEJLK-UHFFFAOYSA-N 361.470 5.478 30 40 FKEB O=C(/C=C/c1cc(O)ccc1Br)c1ccc(Cl)cc1Cl 6861872 CBTIWLQKTSAFRJ-LZCJLJQNSA-N 372.045 5.358 30 40 FKEB CCOc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 13123059 KLQSFWNYUJSBCY-VGBYGFDOSA-N 356.421 5.485 30 40 FKEB aggregator Cc1ccc(C(C)C)c(OCC(=O)/C=C2\Sc3ccccc3N2C)c1 13533123 CWSOUUSOBCBUNG-MTJSOVHGSA-N 353.487 5.150 30 40 FKEB Cc1nc(-c2ccc(/N=C/c3cc(Br)ccc3O)cc2)cs1 100841324 ZLPVUYZRLUQBRN-DJKKODMXSA-N 373.275 5.337 30 40 FKEB Fc1cccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 408949421 FKGUOQAJBBGETR-DNTJNYDQSA-N 366.248 5.702 30 40 FKEB CCCCCCCCc1ccc(/C(Cl)=C/c2ccc(OCC)cc2)cc1 2539253 GSDUCZGRMDRJKE-CLCOLTQESA-N 370.964 7.725 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 4828617 RLUCXNFUOAVULS-CVKSISIWSA-N 372.859 5.786 30 40 FKEB Cc1cc(O)c(C(C)C)cc1/N=C1/NC(=O)S/C1=C\c1ccc(O)cc1 5697572 KQKLGZBPSZSARW-NVMNQCDNSA-N 368.458 5.057 30 40 FKEB C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(C)cc1 6029995 PYPRSPVLVYUILA-UHFFFAOYSA-N 358.526 5.137 30 40 FKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C 6278140 LDQHFSPWROCFRY-MRXNPFEDSA-N 366.530 5.640 30 40 FKEB CCCCCCCCCCCCSCC(=O)Nc1cc(C)cc(C)c1 8383724 KEOMTEOSHNPHIJ-UHFFFAOYSA-N 363.611 6.896 30 40 FKEB CCCCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 102121253 BIMIEBMZQZLFKK-VMFSPHAOSA-N 350.506 5.831 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 408585728 HRVHVIWXXLPECX-UHFFFAOYSA-N 353.506 6.295 30 40 FKEB FC(F)(F)c1ccc(N/N=C\c2ccc(Sc3ccccc3)o2)cc1 408935714 NINJQUNSOGAMCP-UUYOSTAYSA-N 362.376 5.896 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N2c3ccc(F)cc3CC[C@@H]2C)c1 786393 SCEACEICGUBEFZ-INIZCTEOSA-N 366.480 5.645 30 40 FKEB CCCCCCCSc1nnc(-c2ccc(Br)cc2)o1 2061239 UHGUVPORHNXSGL-UHFFFAOYSA-N 355.301 5.562 30 40 FKEB Cc1cccc(C)c1NC(=O)CO/N=C/c1cccc(Oc2ccccc2)c1 3351053 PYNQXIQGOREDPE-BUVRLJJBSA-N 374.440 5.085 30 40 FKEB Cc1ccccc1/C(O)=N/c1c(NC2CCCC2)c2ccccc2oc1=O 20418422 AAKUUVCZJGQBMZ-UHFFFAOYSA-N 362.429 5.092 30 40 FKEB Cc1ccc(/C=N/Nc2cc(-c3ccccc3)c3cc(Cl)ccc3n2)o1 58180652 WEGMPPCGTNJSNB-YDZHTSKRSA-N 361.832 5.903 30 40 FKEB Oc1ccc(/N=N\c2nonc2-c2ccccc2)cc1/C=N\c1ccccc1 100108706 GUWQIBFZRPWQSF-ZABKILNZSA-N 369.384 5.608 30 40 FKEB CCCCCCCCCC[C@@H](O)CN1CCN(c2cccc(C)c2)CC1 104063982 VJINHTMZUPZCKC-HSZRJFAPSA-N 360.586 5.009 30 40 FKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1O 104373353 SYTMCDNQPAKFJA-XLNRJJMWSA-N 363.571 5.111 30 40 FKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1 409202919 UHWKWAJCNNJOPU-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc3c(c2)OCO3)cc1OC 409380382 MCZLQUCBZLDHNL-RRSAXVHRSA-N 361.825 5.005 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 97941889 RBEGSIZIFJTGDI-UHFFFAOYSA-N 361.526 6.113 30 40 FKEB CCCCCCCCCCCCCCCCCc1nc(C)c(O)c(C)n1 97950396 GAPXMSWPJDURSF-UHFFFAOYSA-N 362.602 7.213 30 40 FKEB C=CCOc1cccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225868500 GXURRHBJYSTUDU-UHFFFAOYSA-N 366.530 5.316 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 409208934 DKQBPIDPCRGEAT-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB Cc1c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cccc1C(F)(F)F 575360148 FTLCVZWMBGVQCB-UHFFFAOYSA-N 356.159 5.029 30 40 FKEB CCCCCCCCCNc1ncnc2c1[nH]c1ccc(OCC)cc12 2444486 UQKDQNVKQLSSAB-UHFFFAOYSA-N 354.498 5.672 30 40 FKEB CC(C)CCN1C(=O)/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc21 3349280 UGJXDYVFJQZDAO-RELWKKBWSA-N 361.272 5.507 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Cl)cc3)n2)cc1C 4175388 MZGLXLOAWFEOKN-JJIBRWJFSA-N 366.877 5.420 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3cccc(F)c3)C2=C(O)C1 4322977 GXJLPKMAFZZYTA-LJQANCHMSA-N 373.427 5.604 30 40 FKEB O=C(C(=C(c1ccccc1)c1ccccc1)N1CCCCC1)c1ccccc1 4990437 OCNWMVRYVDJNDA-UHFFFAOYSA-N 367.492 5.815 30 40 FKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1Cl 8113874 PSUIXAREURAGQZ-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB CCCCCCCC(=O)N1C[C@@H](C)N(C(=O)CCCCCCC)C[C@H]1C 8443548 QEDNPVHGYVVBRB-WOJBJXKFSA-N 366.590 5.155 30 40 FKEB Cc1c(Br)c(/C=N/Cc2ccccc2)c(C)n1-c1ccccc1 59104128 DRMYFSOFQQYOFU-HYARGMPZSA-N 367.290 5.476 30 40 FKEB COc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718484 ZOQRHPCIQLUURF-HZHRSRAPSA-N 355.397 5.163 30 40 FKEB N#C[C@@H](CC(=O)O)C(c1cccc2ccccc12)c1cccc2ccccc12 1673202 HASWXXKOZIUWRM-LJQANCHMSA-N 365.432 5.739 30 40 FKEB O=C(/C=C/c1cccc(Br)c1)c1ccc(Br)cc1 16386099 ABEOHGNLFATGLX-RUDMXATFSA-N 366.052 5.108 30 40 FKEB C[C@H]1CCC[C@@H](C)N1CC#CCCCCC#CCN1[C@@H](C)CCC[C@H]1C 67194107 WHEUQNRQTPXCSA-WAPCQROESA-N 356.598 5.079 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 73638324 ZEGSBRNESNAROR-VMPITWQZSA-N 367.626 5.105 30 40 FKEB N#Cc1c(-c2ccccc2)noc1/C=C/Nc1cccc(C(F)(F)F)c1 100324654 PPGGNKPYXZXUMZ-MDZDMXLPSA-N 355.319 5.315 30 40 FKEB COc1ccccc1/C=N/c1ccc(NC(=O)c2ccccc2Cl)cc1 100384248 FMZBLRDQGYPHIY-OEAKJJBVSA-N 364.832 5.352 30 40 FKEB Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1 100513010 BXAORLGNIRMHKN-QPLCGJKRSA-N 370.496 5.189 30 40 FKEB O=[N+]([O-])c1ccc(/N=C(/Cl)N(c2ccccc2)c2ccccc2)cc1 104087259 CYLPQCPAFCRLLK-VZCXRCSSSA-N 351.793 5.659 30 40 FKEB CCn1c(C)cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 409096812 KRZXFLVPWACODD-WGOQTCKBSA-N 360.545 6.343 30 40 FKEB O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)Sc2ccccc21 409316644 ZEDKBKCCIMHKLM-BKUYFWCQSA-N 362.425 5.734 30 40 FKEB O=C(C=C1C=C(c2cccs2)OC(c2cccs2)=C1)c1ccccc1 704096 BMRZUEKKPWFYFV-UHFFFAOYSA-N 362.475 6.031 30 40 FKEB Cc1ccc(CO/N=C/c2cccnc2Sc2ccc(Cl)cc2)cc1 3105174 JVWIMINFCHPTKK-YDZHTSKRSA-N 368.889 5.745 30 40 FKEB Cc1ccccc1/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 8570807 WETNGVLSTOOWHW-JVWAILMASA-N 369.439 6.617 30 40 FKEB CC(C)Oc1ccc(/C=N/NCc2ccc(Cl)cc2)c(OC(C)C)c1 10118851 CWHJOWISLCRPEE-YDZHTSKRSA-N 360.885 5.038 30 40 FKEB CCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC 100301958 XJTVXJGPXZJACC-QGZVFWFLSA-N 364.463 5.715 30 40 FKEB O=C(/C=C/c1ccco1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 107878635 UKLLIXHSDAHKIS-WMVHFENMSA-N 367.448 6.002 30 40 FKEB O=C1[C@H](C[C@H]2CC/C(=C\c3ccccc3)C2=O)CCC[C@H]1C1=CCCCC1 229744604 HWZZEAVSPCVWGA-FIWUZXBMSA-N 362.513 5.925 30 40 FKEB biogenic N#Cc1ccccc1CO/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408596507 ZTSCKMZOVRZOAX-FOKLQQMPSA-N 371.223 5.676 30 40 FKEB Cc1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c1 408909620 HQILIPSMMQDWNH-UHFFFAOYSA-N 354.405 5.037 30 40 FKEB CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409079301 JFQPMIITTFUEEL-MJDKSPQASA-N 364.558 6.645 30 40 FKEB CCCCCc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 409351572 XRNRUYVSVXUOOT-CCEZHUSRSA-N 372.306 5.990 30 40 FKEB CCc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 719229 KRSXYMJCMCCGRP-XMMPIXPASA-N 374.528 6.088 30 40 FKEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1069553 IVYJTBKHRAAUDK-OAQYLSRUSA-N 372.493 5.521 30 40 FKEB N#Cc1c(SCc2ccccc2F)nc2c(c1-c1ccccc1)CCCC2 2259107 KNFRUYRAHZEBDS-UHFFFAOYSA-N 374.484 5.930 30 40 FKEB c1ccc(N/N=C(/Sc2nc3ccccc3s2)c2ccccc2)cc1 4524284 WVUDQYRKYHZYIW-FCDQGJHFSA-N 361.495 5.862 30 40 FKEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(C2CCCCC2)cc1 4923755 IPWMKAALJAGIKO-OEAKJJBVSA-N 370.880 5.922 30 40 FKEB CC(C)(C)c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 16323045 KUYVWVYUJNKCLI-ATVHPVEESA-N 354.450 5.015 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Nc2ccccc2)cc1 33618467 WLQUBGQFRGCHKC-YZSQISJMSA-N 373.475 6.229 30 40 FKEB CCCCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1 104171450 RVVCPFKESSLFTG-UHFFFAOYSA-N 368.670 7.115 30 40 FKEB CCCCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408909869 HTMYWCBGFJXMKV-VYADPRQXSA-N 350.487 5.399 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(C)C)cc2)cc1OC 409377072 GBARQPREVOIZNO-LUILSVGHSA-N 359.897 6.400 30 40 FKEB Cc1ccccc1-c1nc(C#N)c(Sc2ccc(Br)cc2)o1 1775977735 VRTASQPCVVGUBY-UHFFFAOYSA-N 371.259 5.435 30 40 FKEB Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c(Cl)c1 1030013 OYOITFUXAQGOIF-SRZZPIQSSA-N 356.212 5.652 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 3253163 LPSHDXRFWFPWBV-UHFFFAOYSA-N 351.764 5.237 30 40 FKEB Cc1nn(-c2ccccc2)c(S)c1/C(=N/c1ccccc1)c1ccccc1 16249401 VFFRUBYEEYJFAU-ZNTNEXAZSA-N 369.493 5.639 30 40 FKEB C#CCOc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1 70453946 OZYFOVTWTUTCNK-UHFFFAOYSA-N 350.421 5.541 30 40 FKEB FC(F)(F)c1cccc(CNCCCSC(F)(F)C(F)(F)F)c1 97950191 ICLKOMTYSVXPQQ-UHFFFAOYSA-N 367.305 5.073 30 40 FKEB N#C[C@H](c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 250808019 JEFJOTSDPTYHAQ-XZOQPEGZSA-N 355.416 5.242 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)cc(Cl)c3)c2C)cc1C 408741393 PNDVUSKQHMAJLJ-WYMPLXKRSA-N 371.311 6.768 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408770979 BNYFHLNOIVPYKW-FSJBWODESA-N 357.284 6.460 30 40 FKEB C=CCOc1c(Br)cc(CNc2ccccc2)cc1OCC 409127976 DDDJVHSQLQYENO-UHFFFAOYSA-N 362.267 5.025 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)cc1 409187148 MSUSFDAQITWXLC-HYARGMPZSA-N 350.487 5.532 30 40 FKEB O=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1ccccc1Cl 1431115 KISNODSOWWCOSA-LPYMAVHISA-N 351.789 5.015 30 40 FKEB N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1ccccc1 2261996 OYMWSPXABFRVLI-UHFFFAOYSA-N 370.477 5.473 30 40 FKEB CC(C)n1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 4676890 YFELHOOTWHJDJX-UFFVCSGVSA-N 355.825 5.020 30 40 FKEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(N(CC)CC)cc2)cc1 5499458 FJLAFBORFDOARE-WOJGMQOQSA-N 350.506 5.275 30 40 FKEB Cc1cccc(Nc2nnc(SCc3cccc(C#N)c3)s2)c1C 7742206 SJLYASYPEDNEPV-UHFFFAOYSA-N 352.488 5.063 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 106897507 YUPZQMIVQJKCCA-JXMROGBWSA-N 367.788 5.713 30 40 FKEB C=CCOc1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1 225588656 OZHBNICXISSWAG-UHFFFAOYSA-N 372.559 5.029 30 40 FKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc1 408752808 CLAAZWVGVIPXRF-RGEXLXHISA-N 364.514 5.438 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(=O)C[C@H]2c1ccsc1 1079522 XEANYCRFUSHQKW-AWEZNQCLSA-N 369.461 5.051 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc1 4975190 ACERGHXZQNGUCY-DOXZYTNZSA-N 371.267 5.722 30 40 FKEB CC1(C)CC(=O)C(C(=O)Nc2ccccc2)=C(Nc2ccc(Cl)cc2)C1 5190267 UXHIMEXEDYYKAX-UHFFFAOYSA-N 368.864 5.034 30 40 FKEB C=CCOc1ccc(/C=C2\S/C(=N\CCCC)N(CCCC)C2=O)cc1 5552250 UPVMYDLVXRTLAD-BLWADTQWSA-N 372.534 5.124 30 40 FKEB Cc1ccsc1C(=S)Nc1ccc(Cl)c(/C=N/OC(C)C)c1 6491641 RESAKFVTQFLGFK-GIJQJNRQSA-N 352.912 5.256 30 40 FKEB OC1=N/C(=N\c2ccc(Br)cc2)S/C1=C\c1cccs1 6926684 MUASTVOBZBXUID-WQLSENKSSA-N 365.277 5.243 30 40 FKEB Oc1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3O)cccc12 17970151 RXOCGLLBLVONOM-RYQLWAFASA-N 366.420 5.752 30 40 FKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc12 20797131 YELVRXVMAKSKGQ-QFIPXVFZSA-N 353.425 5.067 30 40 FKEB Cc1ccc(-c2oc(/N=C/c3ccc[nH]3)c(C#N)c2-c2ccc(C)cc2)cc1 409362473 UZPPZMGRQFLSSX-JFLMPSFJSA-N 365.436 6.181 30 40 FKEB C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 4869710 MZKXTJQQWVFFST-JJIBRWJFSA-N 363.892 5.039 30 40 FKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(CC)cc3)c12 8026429 SKQRNBGCETYEKG-CCEZHUSRSA-N 369.468 5.242 30 40 FKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CCCCC1 13562924 HTIDURBMPWOMNW-UHFFFAOYSA-N 373.887 5.931 30 40 FKEB Cn1nc(-c2ccccc2)c(/C=N/c2cccc(C(F)(F)F)c2)c1Cl 100271433 LRDXVTRKTAHMNB-FOKLQQMPSA-N 363.770 5.510 30 40 FKEB CCCCCCCCCCCCc1cc(C=O)sc1Br 1776011019 RBQUOWWDOJXZGV-UHFFFAOYSA-N 359.373 6.787 30 40 FKEB COc1ccc(CCNc2oc(-c3cccc4ccccc34)nc2C#N)cc1 2412098 PEHAQEIWQIDYHB-UHFFFAOYSA-N 369.424 5.030 30 40 FKEB N#Cc1ccc(C[C@@H](C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 3327254 GFJOTFMZUIUURN-IBGZPJMESA-N 368.461 5.377 30 40 FKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)o1 4166498 RXVJKYPXZUCKOY-QHCPKHFHSA-N 357.453 5.942 30 40 FKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 7735657 SFJRNLYXRRAGBA-UHFFFAOYSA-N 370.477 5.450 30 40 FKEB CCCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 9388154 OKZGKXIMIGWUIG-UHFFFAOYSA-N 368.893 5.172 30 40 FKEB C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 24261444 LCNTUEBVZRUVNV-MRXNPFEDSA-N 358.466 5.200 30 40 FKEB [N-]=[N+]=Nc1ccc(C(=O)/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1 35239474 SKXBASPXCYOEDH-RVDMUPIBSA-N 373.415 7.422 30 40 FKEB CN1[C@@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@@H]1c1ccccc1 73257544 VUCFRUBUXMGNIA-JWQCQUIFSA-N 370.496 5.767 30 40 FKEB CCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 97941892 DXKROQFMXCSUGF-UHFFFAOYSA-N 365.539 5.493 30 40 FKEB Clc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c(Cl)c1 101743384 BWZZVLPFWQZPQN-NKVSQWTQSA-N 360.196 5.733 30 40 FKEB CC1(C)OB(c2c(F)ccc3c2C=C[C@@H]3[Si](C)(C)C(C)(C)C)OC1(C)C 169811390 PFRBOPOSGGFYGE-KRWDZBQOSA-N 374.381 5.283 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(C)cc3C)c2c1 408775839 KKFQBAQPCDYBMH-MFKUBSTISA-N 354.453 6.211 30 40 FKEB Brc1cc(/C=N\Nc2ccccc2)oc1Sc1ccccc1 409000548 YQUKJODODVAGPJ-UNOMPAQXSA-N 373.275 5.639 30 40 FKEB CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)c1ccccc1 2086635 CZIJYNAAVCVXST-MRXNPFEDSA-N 352.503 5.411 30 40 FKEB O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c3c(cccc13)CC2 5678288 GTFDYMKDMDZHEU-VQHVLOKHSA-N 369.247 5.847 30 40 FKEB N#Cc1ccc(CSc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 12693267 ADRMUTSIQPJOLV-UHFFFAOYSA-N 370.275 5.003 30 40 FKEB O=C(CCCC(=O)c1cccs1)Nc1cccc(C#Cc2ccccc2)c1 12785447 BNIQKZRNJCNWLM-UHFFFAOYSA-N 373.477 5.140 30 40 FKEB C/C(CCc1oc2ccc(Br)cc2c1-c1ccc(C)o1)=N\O 13739098 VULOURFNUUQXKY-VXLYETTFSA-N 362.223 5.546 30 40 FKEB O=C(ON=C1c2ccccc2-c2ccccc21)c1cccc(C(F)(F)F)c1 14074958 WAZFXDBGLZTDLZ-UHFFFAOYSA-N 367.326 5.295 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)[C@@](C#Cc1ccccc1)(OC(=O)c1ccccc1)C2 100131966 XDDNUZKIVVPKLM-GPUOULLFSA-N 358.481 5.480 30 40 FKEB CCc1ccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3O)nc2c1 100502835 JXDPSODTBHVVLC-YDZHTSKRSA-N 358.397 5.219 30 40 FKEB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C#N 225852753 HPZBVNKOCHGVIN-UHFFFAOYSA-N 372.509 5.195 30 40 FKEB Cc1ccc2c(-c3ccccc3)c(C(=O)/C=C/c3ccccc3)c(C)nc2c1 226818124 XAOLBJWNNXIROR-JQIJEIRASA-N 363.460 6.415 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc2ccccc2c1 408913138 LCGRXRJXNAQURJ-MFKUBSTISA-N 368.436 5.696 30 40 FKEB O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)C(F)(F)C(F)(F)F 575243000 RPAYVGWHBIJUFE-UHFFFAOYSA-N 360.122 5.105 30 40 FKEB C[C@H]1CCc2c(sc(/N=C/c3ccc(Br)cc3)c2C#N)C1 873330 HYQGHDMXUYVPHG-KKBVUKDESA-N 359.292 5.258 30 40 FKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 3128243 JJFLSYCHDYKRJR-UHFFFAOYSA-N 371.292 6.219 30 40 FKEB Cc1ccccc1[C@H]1Sc2ccccc2NC2=C1C(=O)c1ccccc12 5369792 JJTJCCOLGUMBOL-HSZRJFAPSA-N 355.462 5.862 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(C)(C)C)cc1 18116406 RFRZLQYQWIHPRD-QHCPKHFHSA-N 374.528 6.206 30 40 FKEB Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)Nc1ccccc1C#N 28166601 KZPQKSHYTNSBAJ-UHFFFAOYSA-N 371.223 5.686 30 40 FKEB Clc1ccc(-n2cccc2/C=N/c2ccc(C3CCCCC3)cc2)cc1 59302882 IORAISFPEOCJFF-KOEQRZSOSA-N 362.904 6.929 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCC 82023811 YEUKJHYLBPPSQJ-OUKQBFOZSA-N 352.603 7.757 30 40 FKEB CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC 100313353 LZCTXAGBGKLUBX-UHFFFAOYSA-N 362.510 5.941 30 40 FKEB biogenic,in-vitro CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc3ccccc23)c1C 408962235 XNDSZTPQXGVKEV-WPWMEQJKSA-N 366.508 6.869 30 40 FKEB C=CCOc1c(CC=C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OCC 409065404 LLQFNADEDLJNPL-PXLXIMEGSA-N 366.417 5.037 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1Cl 409119543 WWTXBTDTBDFVRJ-UHFFFAOYSA-N 352.261 5.569 30 40 FKEB CCCCCCCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2084372 XALKAXXRXAJOCX-UHFFFAOYSA-N 371.333 6.416 30 40 FKEB Fc1ccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)cc1 10119034 UYJLVJJAHOIGMR-AFUMVMLFSA-N 368.839 5.182 30 40 FKEB CN1/C(=C/C=C/C=C2\CCc3ccccc3C2=O)C(C)(C)c2ccccc21 100265578 XIBFOTMBJMTGKN-SXCGNXAHSA-N 355.481 5.610 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C)o1 409053161 LQEDQORDXBCAEH-KEBDBYFISA-N 366.273 5.854 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3Cl)c2C#N)C1 409079064 JYKSYBPHTCZODK-XMTZNVEYSA-N 356.922 6.175 30 40 FKEB OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882598 QWMUYUAVEZTUBL-UHFFFAOYSA-N 370.202 5.033 30 40 FKEB Cc1ccc(O)c(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1 3068150 IDKFOIKGQNGHEL-YDZHTSKRSA-N 365.816 5.324 30 40 FKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 4135157 SGVNLZJFOFHELH-LHLOQNFPSA-N 368.465 5.612 30 40 FKEB CC1C/C(=C\c2c[nH]c3ccccc23)C(=O)/C(=C/c2c[nH]c3ccccc23)C1 4898638 JMKCRJHKKHIYIH-PWDIZTEBSA-N 366.464 6.115 30 40 FKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\NC(N)=S 5640239 YRHMFELWQFBOTP-MUBRZRMLSA-N 358.338 5.166 30 40 FKEB CCCCCCCCCCCCOc1c(OC)cc(C(=O)O)cc1OC 8417351 AJJQQVVXUBHLBY-UHFFFAOYSA-N 366.498 5.702 30 40 FKEB C=CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 10472947 VYCPXOOEYOSNOQ-UHFFFAOYSA-N 359.425 5.083 30 40 FKEB CCCCN(CCCC)c1nc(-c2ccccc2)c2c(c1C#N)CCCC2 20827574 GNNCQEZIHKISQT-UHFFFAOYSA-N 361.533 5.906 30 40 FKEB COc1ccccc1/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C 198083929 IHURFGFDRVULAC-WQEJZQBCSA-N 356.897 5.821 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225407970 KGRQDFQVDYKHEB-INIZCTEOSA-N 368.546 5.597 30 40 FKEB O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)O2 659167 SALIOUFSLBPJAM-UHFFFAOYSA-N 370.448 5.482 30 40 FKEB O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccccc1 2418111 MFVBFXBIMFUUIZ-QHCPKHFHSA-N 366.420 5.917 30 40 FKEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5540118 WDHVPWYXTIILJV-LFVJCYFKSA-N 369.493 6.232 30 40 FKEB Cc1ccc(/C(=N/C(=S)N(C)c2ccccc2)Nc2ccccc2)cc1 6390547 CKJOJGDEFSKKEH-UHFFFAOYSA-N 359.498 5.275 30 40 FKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1 17106686 FGNUVRAWNVULJY-JYRVWZFOSA-N 366.457 5.467 30 40 FKEB CN(C)c1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 32241799 HBSXHUNFBFPIHS-VKAVYKQESA-N 357.453 5.228 30 40 FKEB O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 36245394 YJPAFMQAVLVJPI-BLOQEJBCSA-N 370.477 5.491 30 40 FKEB CCN(CC)c1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c(C)c1 51318642 KSNJHNYBUNBSFR-CCEZHUSRSA-N 350.506 5.773 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1cccc([N+](=O)[O-])c1 408782434 GZXRRKKHRVBPEJ-NHDPSOOVSA-N 369.808 5.112 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C#N)C1 409083627 TYCNRLHQHTZSOY-XMTZNVEYSA-N 356.922 6.175 30 40 FKEB CCCCOc1ccc2ccccc2c1/C=C1/Sc2ccccc2C1=O 409335317 VEHBAWNAVSPHFK-PXLXIMEGSA-N 360.478 6.348 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2ccccc2c1 4537181 NWCFVKVCUULTFH-ACCUITESSA-N 369.376 5.904 30 40 FKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 5370554 QSEOANNIPMCUCT-AWQFTUOYSA-N 357.719 5.103 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl 6880673 IRZIUBOVWAYFHN-UFFVCSGVSA-N 356.680 6.495 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)cc(F)c1 18172869 MZJGLZTVKGQGQQ-HXUWFJFHSA-N 354.400 5.187 30 40 FKEB Clc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59463554 TXOASNWPIFDTQQ-BUVRLJJBSA-N 374.896 6.881 30 40 FKEB Fc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccccc1 409210329 JMOLKRIAQMCSBF-WGOQTCKBSA-N 355.412 6.309 30 40 FKEB CC(C)/N=C1\S/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1C(C)C 409210485 JCODKOPICKRUPX-GDUWUPNNSA-N 357.306 5.083 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1OC 409382496 NPWFGDJRZCLWJV-WXYNYTDUSA-N 362.813 5.185 30 40 FKEB CCn1c2ccccc2c2cc(C=C3C(=O)c4ccccc4C3=O)ccc21 6339099 TWWXYQYQOQMYLX-UHFFFAOYSA-N 351.405 5.277 30 40 FKEB Cc1cccc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 6504496 NBUMXOZIEMHGQS-YDZHTSKRSA-N 364.832 5.357 30 40 FKEB O=C(/C=C/c1ccc2ccccc2c1)c1ccc(NC2=NCCCS2)cc1 7587254 MKSHSDATZXIIDT-NTUHNPAUSA-N 372.493 5.641 30 40 FKEB CCCCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl 8397268 QIZBBWYPSVHWDD-UHFFFAOYSA-N 360.325 5.629 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)c1 8811664 DYZIDRDZDJTIHK-ZVHZXABRSA-N 351.881 5.180 30 40 FKEB N#Cc1ccc(C(=O)Nc2ccccc2SCc2ccsc2)cc1 15565639 QESCEMLSZRKPCM-UHFFFAOYSA-N 350.468 5.164 30 40 FKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cc(C)ccc2F)o1 28236865 HZCIWCOECAVIGD-UHFFFAOYSA-N 365.404 5.287 30 40 FKEB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 65473628 DIWQXHCHRMWUKI-HXUWFJFHSA-N 363.461 5.023 30 40 FKEB CCCCCCCCC/C(=N\O)c1cc(CCCCCC)c(O)cc1O 100925715 QKCNLAJONFGOKX-BSYVCWPDSA-N 363.542 6.540 30 40 FKEB COc1cc(/C=N\c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 104160249 XZIDZXBMPAPXBK-UCQKPKSFSA-N 365.816 5.318 30 40 FKEB Ic1ccccc1/C=N\c1ccc2ccccc2c1 408552014 RGYQPZWSCFUOKO-UNOMPAQXSA-N 357.194 5.195 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccco3)cc1)N2 408934760 FZBVDNFSAPGYTL-KUMOWPEWSA-N 354.453 6.165 30 40 FKEB N#Cc1c(Cl)nc(N/N=C/C=C/c2ccccc2)c(Cl)c1Cl 2295228 KAMDCLXUQZGWML-RHYRJLECSA-N 351.624 5.025 30 40 FKEB CC(C)(C)C1=CC(=NSc2ccc(Cl)cc2)C=C(C(C)(C)C)C1=O 26787376 MBKQCBFELPAVEQ-UHFFFAOYSA-N 361.938 6.316 30 40 FKEB C=CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088091 CXRXIIASEGCWNC-UHFFFAOYSA-N 358.413 5.419 30 40 FKEB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 84235485 DIWQXHCHRMWUKI-FQEVSTJZSA-N 363.461 5.023 30 40 FKEB CCCCCCCCCCCCCCCCC[C@@H](O)CC[N+](C)(C)C 95681990 KKJWZPZEDCMDIZ-HSZRJFAPSA-N 356.659 6.705 30 40 FKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116679 VPQGWHQMQLAFSK-CIAFOILYSA-N 353.809 5.406 30 40 FKEB O=C(/C=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 408621792 OAGYWLWFLBLVKF-NTCAYCPXSA-N 355.412 5.725 30 40 FKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408738100 NQFDHWAYTMGWMJ-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB CC(C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409098822 MDKCTNNPBRSGRJ-BUVRLJJBSA-N 365.929 7.365 30 40 FKEB Cc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1C 409216913 MIAKSIJOUNIQEL-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C)o2)n2c(nc3ccccc32)N1 1078325 OCWFAKZNZWQGNZ-OAQYLSRUSA-N 369.424 5.110 30 40 FKEB Cc1cccc(CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)c1 4663603 DMWSKKJOWWQYET-UHFFFAOYSA-N 374.553 6.022 30 40 FKEB COc1ccc([C@H]2C[C@H]2/C(C)=N/OCc2c(Cl)cccc2Cl)cc1 5382278 JIMACHJGDFRGCV-BFGFEROYSA-N 364.272 5.698 30 40 FKEB Clc1ccc2c(N/N=C/c3cccc(Br)c3)ccnc2c1 5694567 JJTYWBMDLBXULI-KEBDBYFISA-N 360.642 5.097 30 40 FKEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)o1 6441049 JQGRLVCQMRQIIB-SSDVNMTOSA-N 374.223 5.791 30 40 FKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)cc3)nc1-2 59459284 KUTSRHOTJFQHBC-SRZZPIQSSA-N 354.862 5.321 30 40 FKEB C=CCOC(=O)c1ccc2nc(-c3ccc(Br)cc3)sc2c1 73635134 XURJANCDBHPJCV-UHFFFAOYSA-N 374.259 5.069 30 40 FKEB C[C@@]12CC3CC(C(=O)Nc4sc5c(c4C#N)CCCC5)(C1)C[C@@](C)(C3)C2 102572121 COORKWFYMDDIMN-IAHCQCPKSA-N 368.546 5.434 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 408737659 GBHXCCPHZBSWJP-AFUMVMLFSA-N 373.525 5.965 30 40 FKEB COc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl 408755983 XBWPADUQOLBDSD-FSJBWODESA-N 373.283 6.160 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408931093 HCCFWLJQELNCBU-LGVXEURYSA-N 372.896 5.105 30 40 FKEB CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1C 409107073 UNUBEWKOHSGWNK-OEAKJJBVSA-N 352.865 6.321 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C(C)(C)C)cc2)cc1OC 409375229 HNBLZVVEIYTDBV-CPISYKEBSA-N 373.924 6.574 30 40 FKEB O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)C(F)(F)F 575243185 WDENNGOKRKINRY-UHFFFAOYSA-N 360.122 5.105 30 40 FKEB N#Cc1nc([C@@H]2C[C@H]2c2cccc(F)c2)oc1NCc1ccccc1Cl 1775977537 ZKKBEFMVPQBRNJ-JKSUJKDBSA-N 367.811 5.222 30 40 FKEB O=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc2ccccc12 670295 SBLKLSRQAFTLLR-KOEQRZSOSA-N 350.421 5.843 30 40 FKEB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)C)cc3)c2C#N)C1 995713 OREUIZFDXQBUPT-AWEZNQCLSA-N 352.503 5.510 30 40 FKEB CCCCCc1ccc(-c2ccc(C3=CC(=O)[C@@H](CCC)CC3)cc2)cc1 3194390 BCPGCZDORRBQDZ-DEOSSOPVSA-N 360.541 7.249 30 40 FKEB CCSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4321404 NEBVKMOZPXIQKA-UHFFFAOYSA-N 364.901 6.361 30 40 FKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)c1 4695485 KZTQCNQTTVQPHO-UNOMPAQXSA-N 350.487 5.318 30 40 FKEB O=C(/C=C\c1ccccc1)c1ccc(-c2cccc(-c3ccccc3)c2)cc1 4802327 CQHBOHCMFCABTE-RGEXLXHISA-N 360.456 6.917 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1 6339455 SAZWUELLBWXFGR-SFQUDFHCSA-N 364.444 6.315 30 40 FKEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCc2ccccc21 6552785 HBWDLROUQKAUAP-UHFFFAOYSA-N 370.477 5.302 30 40 FKEB CCCC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 16636994 YDMXFAHSBVBQHU-MRXNPFEDSA-N 361.272 5.696 30 40 FKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/NC(N)=S 17109929 YRHMFELWQFBOTP-JERDJRHPSA-N 358.338 5.166 30 40 FKEB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 20029675 AVPGEHMOTDRWRN-UHFFFAOYSA-N 351.221 5.116 30 40 FKEB Cc1ccc(N/N=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 408724597 CEJPRZWRKJEQPQ-DAFNUICNSA-N 370.408 5.153 30 40 FKEB C#CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1Br 409114428 JOABSVODPBDXRV-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB COC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)c1 409239912 OHEKSTSDWOQTDR-HAHDFKILSA-N 361.466 5.683 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(O)c(C(=O)O)c3)cc2)cc1 409253530 ZKJCTNJGCYCUEQ-XKZIYDEJSA-N 363.438 5.301 30 40 FKEB O=C1/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)Sc2ccccc21 1231358 IGLLRSYOEGZGNL-NSIKDUERSA-N 352.198 5.231 30 40 FKEB Cc1cccc(N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)c1 4416768 VIBPBZCSIDYAOE-CHLZUDKUSA-N 356.425 5.060 30 40 FKEB COC(=O)c1ccc(N/N=C(\C)c2ccc(Cl)c(Cl)c2Cl)cc1 4934194 LDWJDGFBBIEJOD-AWQFTUOYSA-N 371.651 5.270 30 40 FKEB COc1ccc2cc(C(=O)/C=C/c3c(Cl)cccc3Cl)ccc2c1 6049044 YOZPPRMAVZVJNO-MDZDMXLPSA-N 357.236 6.051 30 40 FKEB COc1ccc(-c2ccc3c(N)c(-c4ccc(C#N)cc4)sc3n2)cc1 9970825 LGQILLLIFIDVBU-UHFFFAOYSA-N 357.438 5.093 30 40 FKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccccc1)C2=O 13681698 QXZFHNQLOFFUHO-XCFFBTTBSA-N 358.481 5.511 30 40 FKEB in-vitro CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1 225855250 BZSNOBCGOHMDMV-VGOFRKELSA-N 372.509 5.051 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4cccs4)cc3)[C@@H]2C1 408936915 LHYUYWDPUVPCNO-KQMYUEFMSA-N 356.494 6.325 30 40 FKEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 1445250 PNRKKHCHPSNGQR-BUVRLJJBSA-N 359.425 5.282 30 40 FKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 6962577 XFXWUVLTWJWBRW-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(-c2ccccc2)cc1 16711538 BDVMMIHPPMTFPS-IZHYLOQSSA-N 368.505 6.302 30 40 FKEB C=CCOc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1 225868018 MBGOPGUCDLNWIU-UHFFFAOYSA-N 366.530 5.316 30 40 FKEB O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 408618526 DEHFYBRXHHIKCW-NTCAYCPXSA-N 359.381 5.070 30 40 FKEB C=CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1 409195340 ORVIKNDANJOZDA-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(F)cc1 3133670 YVRUHQXTXXZDCB-UHFFFAOYSA-N 358.294 5.570 30 40 FKEB C1=NN(c2ccccc2)[C@@H](C/C(=N\Nc2ccccc2)c2ccccc2)C1 4452284 FHOOQCMDWIVKCV-NJGKLKBPSA-N 354.457 5.158 30 40 FKEB CCN1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 20115513 HZDYQVUKYVCQRS-MJZABRMRSA-N 372.295 5.365 30 40 FKEB COc1ccc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc1 32709499 KHLSYZQNPWIWAE-CYVLTUHYSA-N 355.393 5.260 30 40 FKEB Cc1ccc(C2=NN(C3=CC(=O)CC(C)(C)C3)[C@H](c3ccccc3O)C2)cc1 80325289 KWJDSQMXMFBSAF-QFIPXVFZSA-N 374.484 5.125 30 40 FKEB COc1ccc(/C=N/c2ccc(Br)c(Cl)c2)c2ccccc12 2811174 ZCZDBIAMINKDFK-SRZZPIQSSA-N 374.665 6.015 30 40 FKEB CC(C)Oc1cccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2O)c1 4338146 KZVKYPGDTZTAOU-VOTSOKGWSA-N 351.229 5.382 30 40 FKEB Cc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1 5517135 JYRZAXXIHQWXRU-CYVLTUHYSA-N 355.462 6.028 30 40 FKEB CC(C)Cc1ccc([C@@H](C)/C=C2\CC[C@H](CN3CCCCC3)C2=O)cc1 5732421 ZKLVNVLQZNFKHL-UDXBEZTLSA-N 353.550 5.380 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)s1 6344283 JCESFQMPAUZHAS-DHZHZOJOSA-N 354.858 5.877 30 40 FKEB CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C 100923468 HPEOAUXDEAEVHA-UHFFFAOYSA-N 355.607 6.353 30 40 FKEB Cc1ccc(C)c(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409084742 QFRQPRPBGJFDKX-YSMPRRRNSA-N 359.513 6.227 30 40 FKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409088497 FSBZXKMZLLIWBS-HUSFYUSLSA-N 366.530 5.920 30 40 FKEB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1N=C1CCCCCC1 4182326 XDLSZDRHOMMHOA-HXUWFJFHSA-N 367.880 5.617 30 40 FKEB CCCc1ccc(O)c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 4499451 MCAVYXRRAPKLHK-FSJBWODESA-N 374.267 6.662 30 40 FKEB C=CC[P+](N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC 4530670 IBQAGAAYOQLHTN-UHFFFAOYSA-N 372.602 6.301 30 40 FKEB CCOc1cc2c3c(c1)/C(=N\c1cc(C)cc(C)c1)C(=O)N3C(C)(C)C=C2C 12406304 FHSIHXZKKNDJJE-NJNXFGOHSA-N 374.484 5.365 30 40 FKEB CCCCCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20841215 NMQZADCHUZYYLN-UHFFFAOYSA-N 363.505 5.464 30 40 FKEB CCCCCCCCCCCCCCCCCCCC[n+]1ccccc1 38157502 UJGFWFXKZOQLBM-UHFFFAOYSA-N 360.650 8.016 30 40 FKEB O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccco1 50647527 OFXHLUQJWDADLZ-FOWTUZBSSA-N 353.381 5.061 30 40 FKEB Clc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 59678237 NODPQKWDZACHPH-KOEQRZSOSA-N 371.871 6.625 30 40 FKEB CCCCCCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 98048200 JNXQBMWSOIGFIH-UHFFFAOYSA-N 356.466 5.155 30 40 FKEB CCCCCCCCCCOCC(O)COCCCCCCCCCC 104393369 PYRVOLKVRLTFNA-UHFFFAOYSA-N 372.634 6.662 30 40 FKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408935310 CRQSIRVSFCNIFS-QOGPNBCKSA-N 366.464 5.969 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409186522 DFOQXTTWUSVTAL-DMGPTTAYSA-N 353.462 5.281 30 40 FKEB O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1ccccc1 4853531 MMVJAXGHFCIPSK-ZRDIBKRKSA-N 353.215 5.605 30 40 FKEB Brc1ccc(-c2csc(N/N=C/[C@H]3CC=CCC3)n2)cc1 5215051 XUHDIMFNKAIMKN-NNLQFVHNSA-N 362.296 5.327 30 40 FKEB O=C(C[n+]1ccc2ccccc2c1)Nc1ccc(/N=N/c2ccccc2)cc1 6343969 BXFAHPAKJSYBNN-UHFFFAOYSA-O 367.432 5.181 30 40 FKEB CCOc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 6554297 DBUXGFGLTIHHPO-YZSQISJMSA-N 359.513 6.304 30 40 FKEB Fc1ccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)cc1 10119023 ASMKBHZDOZCQQD-AFUMVMLFSA-N 368.839 5.182 30 40 FKEB CCCCCCCCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1 68568956 PGWRDFSMXITGIY-UHFFFAOYSA-N 353.506 6.241 30 40 FKEB biogenic CCCCCC/C=C/CCCCCCCCCC1=CC(=O)C=C(OC)C1=O 85832239 YYCCUFKHCNSRIA-CMDGGOBGSA-N 374.565 6.632 30 40 FKEB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)SC2=S)cc1 96921021 QIBSTQDTSAEBLC-WQRHYEAKSA-N 364.495 5.087 30 40 FKEB Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253369330 AZOKMFUETPLROZ-KEWPDOHGSA-N 366.549 5.415 30 40 FKEB Cc1csc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 409060724 UKRKXJQROWNIDL-YDZHTSKRSA-N 373.481 5.630 30 40 FKEB O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)Cc2ccccc21 409368709 IZDGFACUUBGLLK-JLHYYAGUSA-N 365.772 5.331 30 40 FKEB CC[C@@H](C)OC(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809118 IUWIXOJFYRYZTI-ZCFIWIBFSA-N 364.204 5.002 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(OC(F)F)cc3)cc2)cc1 3330655 SZXHHSXRDBEAAI-UHFFFAOYSA-N 365.335 5.046 30 40 FKEB O=C(/C=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 5765392 QJKLAKFYCQIUPE-YPKPFQOOSA-N 368.392 5.639 30 40 FKEB O=c1oc2ccccc2c(NCc2ccccc2)c1/N=C(\O)c1ccccc1 20522753 FEMZLYWHKOXCSP-UHFFFAOYSA-N 370.408 5.041 30 40 FKEB CCCCCCC/C(=N\OC(=O)Nc1ccccc1)c1cc(C)ccc1O 100930292 OOCMOJCRCVIYQB-HIXSDJFHSA-N 368.477 6.014 30 40 FKEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H](C)CCOC(C)=O 252680040 UXNQBRLSYUSFKW-IJNTTYKLSA-N 350.543 5.126 30 40 FKEB biogenic,in-vitro CC(C)N1c2ccc(/C=N\c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 260572647 XOFVJJPQMNFBPO-DNPFKWNUSA-N 354.925 6.591 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C1CCCCC1 408739777 FPWUZOLGZJTBTI-CIAFOILYSA-N 359.857 5.922 30 40 FKEB C[C@@H](Nc1oc(Cc2cccc3ccccc23)nc1C#N)c1ccccc1 2428197 KXVVKLBUXNNADQ-MRXNPFEDSA-N 353.425 5.463 30 40 FKEB COc1ccccc1/C=C/C=N/Nc1c(Cl)cc(Cl)cc1Cl 3173081 CVLMGPFJTGJNSW-FYUWBRCQSA-N 355.652 5.767 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 4064915 OVKSHCIVDWZSJD-DJWSHGCDSA-N 371.521 5.267 30 40 FKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)c1 6641984 XSDDDJCXZKRZBP-YBEGLDIGSA-N 374.849 5.089 30 40 FKEB Brc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1 100056024 PIVATZDYQKKODX-FFRCMLGQSA-N 364.246 6.615 30 40 FKEB CCCCCCCCOc1c(Br)cc(C=O)cc1OCC 105285827 GOSGCPHHQKQDBE-UHFFFAOYSA-N 357.288 5.400 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225661175 RJVWANMIQWGJJX-KRWDZBQOSA-N 368.546 5.294 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408604031 CUYLXVZLWXFJPD-UHFFFAOYSA-N 356.224 5.318 30 40 FKEB O=C(/C=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 408617278 ABQZRJUGFKLXNI-CCEZHUSRSA-N 371.867 6.239 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)cc2)c1C 408854265 BDVLIGYKODZMSG-OYKKKHCWSA-N 350.893 6.369 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2ccc(Sc3ccccc3)o2)nc1 409097949 OAVGQWHRWVVXII-SSDVNMTOSA-N 363.364 5.291 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2ccccc21 409368013 PQUUWGIJNWEYQP-JLHYYAGUSA-N 365.772 5.331 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1304940 DPZUJEXQRSRRCO-UHFFFAOYSA-N 369.559 5.739 30 40 FKEB Fc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)c1 3113115 LJXKKAVVRWFEQX-FSJBWODESA-N 350.780 6.038 30 40 FKEB Cc1nn(Cc2ccccc2)c(C)c1/N=C\c1c(O)ccc2ccccc12 4520453 WDWKFYQWSLFREM-OYKKKHCWSA-N 355.441 5.158 30 40 FKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O 5151681 AJTQEOLLGWUZNO-ODLFYWEKSA-N 366.413 5.391 30 40 FKEB CCOc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 6964649 NLSOFJBFEANSDO-NLRVBDNBSA-N 367.448 6.781 30 40 FKEB C=CCc1cc(OC)cc(CN(C)Cc2cccc(Cl)c2Cl)c1O 12691144 QVSZKRQXGMTJFA-UHFFFAOYSA-N 366.288 5.068 30 40 FKEB C(=N\c1ccccc1-c1ccccc1/N=C/c1ccccc1)\c1ccccc1 17061513 VPKMOHKPMZAAAJ-RIRMOVKSSA-N 360.460 6.855 30 40 FKEB CCCCCCCCCCCCOC(=O)CSc1nnc(C)s1 100928477 BQHYMQDQRAGWJE-UHFFFAOYSA-N 358.573 5.403 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 225495343 MOMYWTGTYHUHGE-HXUWFJFHSA-N 354.519 5.325 30 40 FKEB S=c1[nH]nc(-c2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 254289471 IOHVZVQASPCBFA-UHFFFAOYSA-N 364.861 5.296 30 40 FKEB CC(C)c1ccccc1/N=C/c1cccn1-c1cccc(Br)c1 409012759 KLDRXGSOLSDQFW-HYARGMPZSA-N 367.290 6.114 30 40 FKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1[C@H]1CC=CCC1)CCC2 859215 USOCIZTUSUZDIE-KRWDZBQOSA-N 374.509 5.241 30 40 FKEB Fc1c(F)c(-c2c(F)c(F)c(S)c(F)c2F)c(F)c(F)c1S 1627134 BMXRSRJBJWJONO-UHFFFAOYSA-N 362.266 5.044 30 40 FKEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[C@H](C(C)(C)C)CC1 5566096 XJSHJNBGPFREKI-YQNUULROSA-N 360.414 5.063 30 40 FKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 59426882 JULUMSXHAHUEKQ-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB COc1ccc(/C=N/CC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 100354434 AZUWZJZTPUVIBZ-MQHZAWOVSA-N 365.517 5.340 30 40 FKEB CCCCCCCCCCCCCCCC(=O)N(CCC#N)CCC#N 100932702 VNMKCXLQVGFVDQ-UHFFFAOYSA-N 361.574 6.124 30 40 FKEB Cc1ccc2cc(/C=N/c3ccc(Br)cc3)c(Cl)nc2c1 102928412 OKAJNCZTTHBHJX-KEBDBYFISA-N 359.654 5.710 30 40 FKEB Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)c1 225880159 GSBOPINENRNJJU-UHFFFAOYSA-N 372.255 5.398 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408763005 GUORRQYFQATBJV-FSJBWODESA-N 357.284 6.460 30 40 FKEB CCc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409016895 LJERXLGOPZVMMN-FYJGNVAPSA-N 357.931 6.866 30 40 FKEB Cc1ccccc1/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409212063 POPJYPJAYYYIBP-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB Clc1ccc(/C=C/C=N/c2ccc(N3CCOCC3)cc2)c(Cl)c1 3136668 WEPFIVSGGSPSLH-LAULJKLDSA-N 361.272 5.246 30 40 FKEB Brc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 3241681 PNQCNTGLYNYNFT-KGENOOAVSA-N 352.231 5.992 30 40 FKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc4ccccc34)S2)c(C)c1 6793074 UGLYIHNEBNLIKJ-MOSHPQCFSA-N 358.466 5.348 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccccc3F)o2)CC1 27562581 WXRHYMKTGXWMKB-ZVHZXABRSA-N 368.456 5.595 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(C)C)cc2)c1C 197536232 AJWMQDABVYYRPA-WGOQTCKBSA-N 358.529 6.839 30 40 FKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cccc(C)c4O)c3)nc2c1 713782 SWRWPOJHMNBUQS-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB C/C(=N\Nc1cc(C(F)(F)F)nc(-c2ccccc2)n1)c1ccc(F)cc1 4713117 KCMYKONWRJOXMN-RPPGKUMJSA-N 374.341 5.138 30 40 FKEB Brc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 5003299 DPONWAQNGOMBGH-RCCKNPSSSA-N 351.247 5.621 30 40 FKEB CSc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 8277579 JQSZZUTWNAPWGC-MHWRWJLKSA-N 374.918 5.262 30 40 FKEB CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 408603067 PYJKDMJBUSZPJS-FMCGGJTJSA-N 365.502 5.103 30 40 FKEB Cc1cccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)c1C 409212485 MQTLOFVTQGKDPG-PKAZHMFMSA-N 365.476 6.786 30 40 FKEB COc1cccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O 864769 WJNZDGGTKSQWHG-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB CCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 2263629 GLTFVUOVGLHKKW-UHFFFAOYSA-N 359.517 6.797 30 40 FKEB CCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 3140211 YAYGXCSNTZFJFP-UHFFFAOYSA-N 351.490 5.886 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)cc1 3897938 ULHILAORQYIOFS-WXUKJITCSA-N 356.421 5.689 30 40 FKEB O=C(/C(=C/c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccc(O)cc1 4963828 ADTDTVFNQISXTE-LDADJPATSA-N 369.247 6.123 30 40 FKEB C(=N\OC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 4984570 XALKZBRZSFSNIM-MEFGMAGPSA-N 363.460 6.029 30 40 FKEB N#Cc1c(Cl)cccc1Oc1ccc(-c2nc3ccccc3s2)cc1 6850730 VLBAGWKMEYNPDT-UHFFFAOYSA-N 362.841 6.281 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 8371991 RCBRYRMXOMVCBU-YZSQISJMSA-N 351.449 6.478 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2cccc(Cl)c2Cl)o1 15229000 BZQDRXSMOQIVMS-YVNNLAQVSA-N 374.223 6.011 30 40 FKEB Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 20715199 FIHZTGJVKQVMSS-XOBRGWDASA-N 362.454 5.003 30 40 FKEB CCCCCCCC[C@@H](C)c1cccc([C@H](C)CCCCCCCC)c1O 104162282 AMAPQLXDBQEZPS-DHIUTWEWSA-N 374.653 9.100 30 40 FKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(C)c1 408761900 HTIPPOULVZRHIO-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 409053894 RSKSJRBIERPBNX-RGVLZGJSSA-N 372.837 5.208 30 40 FKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1 409114108 IQIBCLZSDQPTDE-KOEQRZSOSA-N 366.420 5.593 30 40 FKEB C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C(F)(F)F)c1 584905956 NJAUZLRHXDPNLC-UHFFFAOYSA-N 360.404 5.654 30 40 FKEB COc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O 859581 GPOKBHPZCYEIID-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB CCCCCCCCCCNC(=O)C1c2ccccc2Oc2ccccc21 2734262 DNTMCKDXKPROEI-UHFFFAOYSA-N 365.517 6.181 30 40 FKEB CC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(C)=O)cc3)cc2)cc1 3110085 USHFYDUSLVAZJE-RYQLWAFASA-N 368.436 5.593 30 40 FKEB C=CCOc1ccc2ccccc2c1-c1c(OCC=C)ccc2ccccc12 3191971 PDJRJPSZXDUOPD-UHFFFAOYSA-N 366.460 6.790 30 40 FKEB CCc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1 5249011 KOOQYDILJMQAPN-UHFFFAOYSA-N 366.468 5.544 30 40 FKEB CC(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 5359129 PYHZLMFTKOTWGQ-WAUHAFJUSA-N 358.522 5.086 30 40 FKEB biogenic,in-vitro Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 8371832 SRLWCBAKPJCWIX-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 8570878 IPWRMVUAQGAVIC-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)cc1 10118991 OASKATQYTHLOEX-MFKUBSTISA-N 364.876 5.351 30 40 FKEB CCCCCCCCCCCCCCCCCC1=NCCN1CCO 100048878 QJEBJKXTNSYBGE-UHFFFAOYSA-N 352.607 5.954 30 40 FKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1C 2239228 PQBYFUDLXOXFJQ-DEOSSOPVSA-N 369.489 6.170 30 40 FKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl 5446532 DHBKQTWFWUOQCX-AWQFTUOYSA-N 357.719 5.103 30 40 FKEB C[C@@H](C[N+]1(C)CCCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 6487273 BCOVIRQOLWDQET-QFIPXVFZSA-N 361.553 5.543 30 40 FKEB Cc1ccccc1/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 8570805 YJFMICJZQQKKQC-JVWAILMASA-N 369.439 6.617 30 40 FKEB Oc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 31854558 XBRVBEUXFJQGIS-UWVJOHFNSA-N 364.257 5.269 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C/c1ccccc1)C2=O 36038116 BXEKJWVUCNPPSL-MCBWPATDSA-N 362.557 6.682 30 40 FKEB C[C@H](/C(O)=N/c1cccc(Cl)c1)N(C)Cc1c(F)cccc1Cl 82110919 BUUXJCXHNDFZEK-LLVKDONJSA-N 355.240 5.241 30 40 FKEB OC1=N/C(=N\c2ccccc2C(F)(F)F)S/C1=C/c1cccc(F)c1 102512829 PGRZGTIBJCPRME-NTEUORMPSA-N 366.339 5.576 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)cc1 225716687 PNOICQZBGLWHOO-HXUWFJFHSA-N 354.519 5.306 30 40 FKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 408916055 UFTUEHCUGNQNPV-YWRZKIKVSA-N 366.486 5.103 30 40 FKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409082910 UDHUOFHLGQLJGY-LUILSVGHSA-N 352.503 5.530 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 409238133 VWFSKZCSCUPTRA-ZDSQJECRSA-N 350.506 5.950 30 40 FKEB Cc1ccccc1Cn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 409368719 JOXUZGYEOGXPCG-RCCKNPSSSA-N 363.460 5.820 30 40 FKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1C 4175534 DIRPWTCYXPDQSZ-NCELDCMTSA-N 360.486 5.384 30 40 FKEB C=CCOc1ccccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4832614 IIXPYZVCYOAWTL-UHFFFAOYSA-N 351.490 5.852 30 40 FKEB Cc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 4935839 XLOUJVGGWJMOHR-HMMYKYKNSA-N 353.421 5.868 30 40 FKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1 6961514 MTEQZFKLTGXUBN-PCLIKHOPSA-N 359.469 6.032 30 40 FKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc(F)c1 8368083 PBXPCPSSROSROZ-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB CC(=O)c1ccc(Oc2ccc(-c3ccc(C#N)cc3)cc2)c([N+](=O)[O-])c1 15207271 OVYHJZIZJYCOLW-UHFFFAOYSA-N 358.353 5.128 30 40 FKEB O=[N+]([O-])c1ccc(Cl)cc1/C=N/N=C1c2ccccc2-c2ccccc21 16921043 MAAVYRFWYFYVNJ-WSDLNYQXSA-N 361.788 5.100 30 40 FKEB CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)C2CCCCC2)cs1 54897776 JMXYFZDDHBWAQS-FMIVXFBMSA-N 372.465 5.129 30 40 FKEB FC(F)(F)c1cccc(CO/N=C2/COc3ccc4ccccc4c32)c1 100914083 ZVBCAQKNDXIZNR-ULJHMMPZSA-N 357.331 5.172 30 40 FKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Br)cc3)cc21 198077451 BQKWPJDKOXZJIY-CYGNYLSHSA-N 371.322 5.922 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 216847878 GJEBDKZPGVKCJO-UHFFFAOYSA-N 351.229 5.224 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(OCC)cc1 254441091 OZALQAKQZKGDRP-UHFFFAOYSA-N 366.486 5.042 30 40 FKEB C=CCOc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl 408604815 FHOKXSZGQYCGTJ-UHFFFAOYSA-N 358.268 6.324 30 40 FKEB O=C(C/C=N/OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 5252656 LTFGJHUOYHOJIX-DNTJNYDQSA-N 356.636 5.422 30 40 FKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(OC)c1O 6440238 PXVVVQVVWIHIRH-ZICWZVMQSA-N 362.267 5.427 30 40 FKEB CCc1ccc(/C=C/C(=O)c2ccc(/N=C3\NC[C@@H](CC)S3)cc2)cc1 12536798 UNWIYTYDYNCLRV-CBHXRGPZSA-N 364.514 5.248 30 40 FKEB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 16347607 LLBXLRDWGXWMQN-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB CC/C(C)=N\Nc1nc2cc(C(F)(F)F)c(Br)cc2s1 57327567 OJLFVCJQQSITRP-FXBPXSCXSA-N 366.206 5.275 30 40 FKEB C=CCn1c(S[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1C1CC1 78480803 LIHDWTQKKNBIOG-LLVKDONJSA-N 353.413 5.214 30 40 FKEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225823676 LEHFGANKSPEZFL-UHFFFAOYSA-N 374.525 5.151 30 40 FKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 408691885 WFRDUWYWDZKITK-RVDMUPIBSA-N 372.464 5.869 30 40 FKEB COc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 408718497 ZUXYGKDGKALUTO-HZHRSRAPSA-N 355.397 5.163 30 40 FKEB CC(C)(C)c1cc2oc3c(c2c(/C=N/Cc2ccncc2)c1O)CCCC3 972636 YTXIBTFNVGOSEN-AFUMVMLFSA-N 362.473 5.329 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccccc3)cc1)N2 1059444 QLXPYLKCHCENEO-JXKQBYIGSA-N 364.492 6.572 30 40 FKEB C/C(=N/Nc1nc(-c2ccc(C)c(C)c2)cs1)c1ccc(Cl)s1 4535946 SGDJXTVBLGGCJH-NDENLUEZSA-N 361.923 5.978 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1 6961527 GDNWAQAJSBDKGF-PCLIKHOPSA-N 359.469 6.032 30 40 FKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1 8272692 AQVWWMAXRXNGIO-ZRDIBKRKSA-N 373.839 6.353 30 40 FKEB C(#Cc1ccccc1)/C=C/c1ccc2ccc3ccc4ccccc4c3c2c1 8384035 CDJXACZVLFPPJG-VZUCSPMQSA-N 354.452 7.211 30 40 FKEB CCOc1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1C(C)(C)C 17288815 DGMPZXYPCNKBNO-OYKKKHCWSA-N 353.506 6.271 30 40 FKEB Cc1cccc(N/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2cccc(C)c2)c1 18056427 YXPOQHIGARPBED-UHFFFAOYSA-N 360.417 5.097 30 40 FKEB CCCCCCCCCCCCCCCCCc1cc(O)nc(S)n1 104382179 LNRYAIAKXZGMBR-UHFFFAOYSA-N 366.615 6.885 30 40 FKEB CCn1cccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408932168 BJNZTWAWDVCNJV-GAADFGEESA-N 373.481 5.317 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C 409211542 NUVBBZQWUCMHCA-UCQKPKSFSA-N 360.413 5.541 30 40 FKEB CCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1772493034 RACRSWIMRBVETP-DKSCOYDSSA-N 370.533 5.396 30 40 FKEB Cc1cccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3)nc12 1435385 HWUAKWAKLKUUSN-LPYMAVHISA-N 357.369 5.462 30 40 FKEB Cc1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)cc1C 1473000 WKLMLVUFOODGPB-UHFFFAOYSA-N 354.457 5.843 30 40 FKEB C=CCCCCCCCCc1n[nH]c(SCC(=O)c2ccccc2)n1 6780725 VHOJXFHUKFLDFB-UHFFFAOYSA-N 357.523 5.239 30 40 FKEB CC(=O)Oc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242166 PNFDFZKCQATJFO-HZHRSRAPSA-N 361.466 5.655 30 40 FKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 33957405 UVQJZCDBSITYNI-AVBGSWKWSA-N 372.512 5.723 30 40 FKEB Cc1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1F 59249963 SESFXJZROCQHAL-CIAFOILYSA-N 357.226 5.438 30 40 FKEB CCCCCCCCCCCCCC(=O)c1ccc(OC(C)(C)C)cc1 101470605 ICGRQORXXDLYDA-UHFFFAOYSA-N 360.582 7.748 30 40 FKEB C[C@@H]1CCc2c(sc(N/C=C/C(=O)c3ccc4ccccc4c3)c2C#N)C1 103844924 NZZPUJHYIXENNG-AUECHBEKSA-N 372.493 5.706 30 40 FKEB CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cccnc1 104358609 CGYQQYYNCUVRKC-QHCPKHFHSA-N 362.602 6.138 30 40 FKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl 138137270 PCABHTKZOQEFSV-FSJBWODESA-N 373.283 6.160 30 40 FKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1 408915313 ZLURCUOETDLLSK-WYWWFWOASA-N 374.465 5.645 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)cc2)C(=O)N1CC 408916084 UPKCKKDTYRTCDB-KLPPEWMLSA-N 350.487 5.181 30 40 FKEB COc1ccc2c(c1)Cc1sc(/N=C\c3cccc4ccccc34)nc1-2 409044343 CDHVGLHOGDOKTK-QRVIBDJDSA-N 356.450 5.627 30 40 FKEB COc1ccc(/C=N/c2ccc(C)c(Br)c2)c2ccccc12 647467 GGQKIMSWTXNFEC-CIAFOILYSA-N 354.247 5.670 30 40 FKEB CCC(CC)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1 4649227 DFGWDGKUZKPEFA-OVCLIPMQSA-N 367.514 5.679 30 40 FKEB Cc1cc(C)nc(N/N=C/c2c3ccccc3c(Cl)c3ccccc23)n1 4925904 GXUSCERMBYARLK-FSJBWODESA-N 360.848 5.499 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3ccc(C(F)(F)F)cc3)n2)cc1 9925854 XLOQQLBNTFFPKU-LSHDLFTRSA-N 361.392 5.583 30 40 FKEB CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820608 LPDHEUAYGQADJL-MLGOLLRUSA-N 372.925 5.381 30 40 FKEB CCCCCCCCSC1=NC2(CCCCC2)[C@@H]2CCCC[C@H]2O1 101528423 DQKVAPVRKSJLIZ-RTBURBONSA-N 351.600 6.728 30 40 FKEB C#CCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12 216941694 GGGGALUUOLAHKO-UHFFFAOYSA-N 351.405 5.153 30 40 FKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408947466 QBLFOJWWSBPUIL-KSEXSDGBSA-N 370.811 5.335 30 40 FKEB C#CCOc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C 409214514 VOHOFFQIZZCGJP-RGVLZGJSSA-N 362.654 5.174 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2O)cc1OC 409382988 PWVMRBFSDQTJRZ-GVHCZZSVSA-N 368.260 5.636 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Oc2ccccc2)cc1 1045627 VFBZHXCHFOZMAM-UUYOSTAYSA-N 358.224 6.242 30 40 FKEB N#Cc1cccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)c1 4002823 PSQSELMMZVGHHG-OUKQBFOZSA-N 369.855 5.780 30 40 FKEB Clc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(Cl)c1 4992032 ZGFJZISTZJFDMD-QTANEOQUSA-N 354.240 7.159 30 40 FKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(F)cccc1Cl 5211440 PTQXMIPISJQQOF-GIPWTMENSA-N 356.828 5.311 30 40 FKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 5841333 BLQFKETXMVPTTK-AWQFTUOYSA-N 351.233 5.044 30 40 FKEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1cccc(C(F)(F)F)c1 40139549 KLZZACGSQFYHJU-BQYQJAHWSA-N 360.360 5.120 30 40 FKEB CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)c(OCC)c1 59193649 GHCODKLQZFVKQI-FYJGNVAPSA-N 367.474 5.054 30 40 FKEB CC=C(C(=O)OCCCCCCCC)C(=O)OCCCCCCCC 100313272 XMWPSUYSCMSEMQ-UHFFFAOYSA-N 354.531 5.740 30 40 FKEB CC(C)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101474322 LVRJUYYAUNSDIG-UHFFFAOYSA-N 366.223 5.461 30 40 FKEB CCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530056 SJOYXRJDEYROJC-WUKNDPDISA-N 356.463 8.222 30 40 FKEB CC(C)(C)c1cc(/C=C2\Sc3ccccc3C2=O)cc(C(C)(C)C)c1O 107678963 IDLLLWOQOOVFBC-UYRXBGFRSA-N 366.526 6.317 30 40 FKEB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923840 QJKBUSGUNXZSRG-SVYVOUITSA-N 358.566 5.543 30 40 FKEB biogenic C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(N(C)C)cc3)cc21 223620817 HHKOCIHWMHARHH-YNNOXIHVSA-N 369.940 5.879 30 40 FKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2oc(C)c(C)c2C#N)o1 408587027 DPEFAZDYLANEEK-WYMPLXKRSA-N 370.412 5.273 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1C 408852109 IIQIVWVJGKKKRF-ZVHZXABRSA-N 359.425 5.331 30 40 FKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCC 409121709 ZORHSDUIFGOXSC-UHFFFAOYSA-N 359.897 5.786 30 40 FKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OC 409210534 LEGWKJNOKHPLLX-DJKKODMXSA-N 368.658 5.179 30 40 FKEB Cc1ccc(Cl)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575242838 LAKACAAZKSGVLL-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB Cc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 2779421 MERZVOPRKJHMOH-QHCPKHFHSA-N 355.462 5.862 30 40 FKEB CCCCCCCCCc1noc(-c2ccc(Br)cc2)n1 2904422 ZYWAFUHEPXOAET-UHFFFAOYSA-N 351.288 5.792 30 40 FKEB COc1ccc([N+](=O)[O-])cc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4718819 HSIAJJWTRUDVMA-UHFFFAOYSA-N 370.449 5.204 30 40 FKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1 4863640 XSAKRLWJJWIKMQ-LSHDLFTRSA-N 364.663 6.031 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1OC 6341189 VBPWMGZREMSFGI-GXDHUFHOSA-N 374.436 5.179 30 40 FKEB Cc1nc2c(cc(Oc3ccc(C#N)cc3[N+](=O)[O-])c3ccsc32)s1 9154800 NVTSTGZQYPZYBF-UHFFFAOYSA-N 367.411 5.392 30 40 FKEB O=C(/C=C\c1ccccc1)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 13406624 AQUDAQATXWUGHF-JTFWXBGUSA-N 354.405 5.202 30 40 FKEB Cc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17043596 LHKJIWYGIBJJPD-STYZJACHSA-N 372.493 5.894 30 40 FKEB CCOc1cc(/C=N/c2ccc(CSc3ccccc3)cc2)ccc1O 20242159 ZFJZRTJCIMEKRL-HZHRSRAPSA-N 363.482 5.834 30 40 FKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Cl)cc1Cl 35647454 LRXBYNQFDDANMR-VGOFMYFVSA-N 367.232 5.024 30 40 FKEB COc1ccc(C2=C(Nc3ccc(C)cc3)c3ccccc3C2=O)cc1OC 100937724 GNAJOBCFTTVLKP-UHFFFAOYSA-N 371.436 5.189 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 409188463 ZKBIGTNYAYWKSE-NLRVBDNBSA-N 374.528 6.586 30 40 FKEB Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 1435236 WDNORMXZQYKMSX-UFWORHAWSA-N 352.659 5.484 30 40 FKEB N#Cc1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCC2 3108314 RBOGPICPPHWTCK-UHFFFAOYSA-N 360.438 5.153 30 40 FKEB Fc1ccc(/N=C/c2ccc(/C=N/c3ccc(F)cc3F)cc2)c(F)c1 3255826 KZXFIVBGKLISOT-KOZSXFMUSA-N 356.322 5.744 30 40 FKEB O=C1C(O)=C(CCC[C@H]2CCC[C@H]3CCCC[C@@H]32)C(=O)c2ccccc21 4552448 NUUNXYJGPKCBLC-ZACQAIPSSA-N 352.474 5.655 30 40 FKEB C[C@H]1CCc2sc(NC(=O)Cc3cccc4ccccc34)c(C#N)c2C1 5185846 OXKSQHCPDUDYOF-AWEZNQCLSA-N 360.482 5.079 30 40 FKEB CCOC(=O)c1c(/N=C/Nc2cccc3ccccc23)sc(C)c1C 5348716 IFUMVHLTCRSDIZ-UHFFFAOYSA-N 352.459 5.467 30 40 FKEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cccc(Cl)c1 18046786 NZFAGPFREPVQQW-WCWDXBQESA-N 351.841 5.698 30 40 FKEB CCCCCCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 50861337 RVDSIQMJUTVGGK-UHFFFAOYSA-N 366.505 6.081 30 40 FKEB CN(C)/C=C/c1snc(SCc2c(Cl)cccc2Cl)c1C#N 52525243 KKKMTBRVBMLJTD-VOTSOKGWSA-N 370.330 5.146 30 40 FKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccn2)cc1 100284695 IYPQMUSJJFGSFV-UHFFFAOYSA-N 369.509 6.245 30 40 FKEB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C#N 225846448 CPFXRWPARNOVLG-NRFANRHFSA-N 360.498 5.051 30 40 FKEB CC(C)N1c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[C@H](C)CC1(C)C 260562942 DBCWUMBZCCFBAK-MRXNPFEDSA-N 373.496 5.650 30 40 FKEB COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 409093128 XVUQKJMLODOGMC-LJGKHRNASA-N 352.503 5.530 30 40 FKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCCC 409116786 MLZVGEADCQMVKR-UHFFFAOYSA-N 359.897 5.786 30 40 FKEB CCCCSc1nc(-c2ccccc2)c(C(=O)C(F)(F)F)cc1C#N 3174874 BLSHQVGXACRXDS-UHFFFAOYSA-N 364.392 5.257 30 40 FKEB CSc1nc2ccc(/N=C/c3ccccc3C(F)(F)F)cc2s1 3260909 KFECFFNLCAVYHF-AWQFTUOYSA-N 352.406 5.788 30 40 FKEB Cc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1C 6205767 CWGNZOCWFJJXBX-UHFFFAOYSA-N 362.454 5.238 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 8371905 ZXTTWAUCPBAIQJ-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CC/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1 96400487 KPWQKYGFPPAUHS-HMAPJEAMSA-N 361.194 6.238 30 40 FKEB O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1Cl)c1ccco1 102417331 CFONDWCHJACROF-SRZZPIQSSA-N 359.212 5.589 30 40 FKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1 408739814 FWOWHZMZOIFDDV-ZVHZXABRSA-N 359.498 5.657 30 40 FKEB COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408915153 PHICZGULSIYHEW-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C 408931069 GRYFUKYDYYFXGR-MFKUBSTISA-N 374.484 5.502 30 40 FKEB O=[N+]([O-])c1ccc(Oc2cccc(/C=N\c3ccccc3)c2)c([N+](=O)[O-])c1 409213751 VCVZVGUMOSMQTI-MOSHPQCFSA-N 363.329 5.046 30 40 FKEB Cc1ccc(COc2ccc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 409217312 OYCDSAOGHMTRSK-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB Cc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409376762 AWSZOLMDHSINDU-MFKUBSTISA-N 372.468 5.380 30 40 FKEB Cc1ccsc1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5181889 SDWCFXULBYSPSG-WSVATBPTSA-N 368.314 5.933 30 40 FKEB N#C/C(=N/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 6496242 RYWXHNIDRPYMFF-HAHDFKILSA-N 373.268 5.457 30 40 FKEB CC(C)(C)c1ccc(-c2nc3oc4ccccc4c(=O)c3cc2C#N)cc1 6550312 DNMZOMHHZDZJGI-UHFFFAOYSA-N 354.409 5.177 30 40 FKEB CSc1nc(-c2ccccc2)cc(-c2cccc3ccccc23)c1C#N 6821513 WQKZCZIMGMNTDU-UHFFFAOYSA-N 352.462 6.162 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1 11566379 POTOWSRTENORGV-KOEQRZSOSA-N 369.493 6.313 30 40 FKEB CCCCCCCCCCCC(=O)Nc1nnc(CCCCC)s1 100508934 NEXRDXZPNUOUOJ-UHFFFAOYSA-N 353.576 6.130 30 40 FKEB CCCCCCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC 104391236 BVIXCTPGBNCESY-UHFFFAOYSA-N 356.547 5.820 30 40 FKEB CCOc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1OCC 1710130 SCZNWZDWYFMCSM-PCLIKHOPSA-N 370.452 5.336 30 40 FKEB N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 4194724 FBHJQHBHRAPMBZ-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB Cc1cc(-c2ccccc2)nc(N/N=C/c2ccc(Cl)cc2Cl)n1 4675464 ZOWBTLDSDOCCQY-SRZZPIQSSA-N 357.244 5.205 30 40 FKEB CC(C)c1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)cc1 5048655 XHGZYTMPIWRQQW-UHFFFAOYSA-N 368.484 6.350 30 40 FKEB COc1ccc(C(=O)/C=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 17197107 GVSPXQVUXHMUMA-JYRVWZFOSA-N 366.501 5.892 30 40 FKEB C=C(C)COc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 219783580 AERRBNWPSLXEHH-UHFFFAOYSA-N 359.425 5.686 30 40 FKEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225827755 KKLNJGSNPBULLX-IIBYNOLFSA-N 360.498 5.050 30 40 FKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccccc1)C2=O 252693310 BXEKJWVUCNPPSL-AFSAAZCDSA-N 362.557 6.682 30 40 FKEB biogenic CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 408906418 BJOXXGALRGBAPA-NVZLDUMVSA-N 372.493 5.772 30 40 FKEB Fc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1N1CCCC1 409071262 GHGUPAJXJIKCLW-KOEQRZSOSA-N 359.448 5.920 30 40 FKEB CC(C)c1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409078979 JWDMRFLDDGQSTC-JVWAILMASA-N 373.540 6.734 30 40 FKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(F)cc2)c1 409200108 GRIVKYQRWVWLHQ-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB COc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C#N)CCCC2 1956271 RYAXKGPLIDYASK-ZVBGSRNCSA-N 365.285 5.565 30 40 FKEB C/C(=N\OCc1ccc(CO/N=C(\C)c2ccccc2)cc1)c1ccccc1 5974997 FZCLODGYUNHMCE-FQHZWJPGSA-N 372.468 5.568 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 6961241 ONHABEWDJNGANI-WGOQTCKBSA-N 373.496 6.340 30 40 FKEB CC(C)[C@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccccc1 12526846 MTGSJPIBZBASKF-XXFRDUSWSA-N 371.484 5.082 30 40 FKEB C=CCOc1ccc(/C=C2/S/C(=N\CCCC)N(CCCC)C2=O)cc1 35042045 UPVMYDLVXRTLAD-OMRXDTDFSA-N 372.534 5.124 30 40 FKEB CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409079304 JFQPMIITTFUEEL-VBYICHLGSA-N 364.558 6.645 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1C 409217886 YALDBZJXJFUEEZ-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB Cc1[nH]c2ccccc2c1/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1 1087278 QFQLIGSQWDCXJY-AFUMVMLFSA-N 372.855 6.111 30 40 FKEB CCCCOc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 4557832 YBXCXZHFAKVAOC-WOJGMQOQSA-N 356.465 6.429 30 40 FKEB O[C@@H](C/C(=N/Nc1ccccc1)c1ccccc1)CC(Cl)(Cl)Cl 5544432 SHKKYPMKPQTNOR-OAZPQLMHSA-N 371.695 5.014 30 40 FKEB Clc1ccc(CN/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 10118870 BUBNXCSDZHYYEV-CVKSISIWSA-N 373.887 5.467 30 40 FKEB CCCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 31858846 PNUGZPVKQNAJRF-MTJSOVHGSA-N 371.893 5.698 30 40 FKEB COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(Cl)s3)s2)cc1 33743464 JLUIBHPPWZIVCT-VURMDHGXSA-N 360.887 6.035 30 40 FKEB O/N=C(\Sc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 100324272 PKVKEZUKWLGLCH-NDENLUEZSA-N 367.179 5.335 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 225407908 GXJTXDCBUBGYPN-MRXNPFEDSA-N 368.546 5.597 30 40 FKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)C2CCN3CC2)cc1 408603477 RCPIQXDLEAFPSP-FMCGGJTJSA-N 365.502 5.103 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(SC)cc2)S/C1=N/c1ccc(F)cc1 409231206 ISVWMXMXGNDKQU-HWWZFDGNSA-N 372.490 5.172 30 40 FKEB CCCCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357382 FYPRQIRLIJXPSS-UHFFFAOYSA-N 358.297 5.825 30 40 FKEB COc1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)cc1 2255917 PCYGQAZUSAKMDI-CJLVFECKSA-N 356.535 6.122 30 40 FKEB CCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 2285409 YPUZNCVGOXSZTF-UHFFFAOYSA-N 364.489 6.574 30 40 FKEB Cc1ccc(C(=O)/C=C/N2C=CC(=Cc3ccc([N+](=O)[O-])cc3)C=C2)c(C)c1 6922365 MMPGFOFQYXJWGO-SDNWHVSQSA-N 372.424 5.335 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(F)cc1 14671944 JHOFVKMDIHKCSI-HXUWFJFHSA-N 353.462 5.728 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Br)c1 32101523 ZCABAIVVKCTNNM-KEBDBYFISA-N 360.638 5.712 30 40 FKEB Clc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 59500238 HYORVQTUVNSOMB-LFVJCYFKSA-N 357.844 5.943 30 40 FKEB O=C(/C=C/c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 71977092 HTKMHRKLRHPAHF-QPJJXVBHSA-N 356.046 5.652 30 40 FKEB COc1ccc(NC(=O)[C@H](Sc2cccc(C#N)c2)c2ccccc2)cc1 79051058 DPPDPBAPNIEHNL-OAQYLSRUSA-N 374.465 5.039 30 40 FKEB CCCCCCCCCCCC(=O)/C=C\c1ccc(Cl)c(Cl)c1 104201037 SBZPUOZWHQYJIL-OWBHPGMISA-N 355.349 7.497 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 219808216 WGLZSCZIUNTRNW-UHFFFAOYSA-N 361.466 6.009 30 40 FKEB COc1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1Cl 408962246 XPWNKVZWBYTPBV-SSDVNMTOSA-N 369.804 5.366 30 40 FKEB C=CCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3 2081252 XNTQWLLQRYTKLM-UHFFFAOYSA-N 374.575 5.195 30 40 FKEB Cc1cc2nc(/C=C/c3ccccc3)n(Cc3ccc(C#N)cc3)c2cc1C 4050625 WMVNXBYDCVQCJN-OUKQBFOZSA-N 363.464 5.744 30 40 FKEB Cc1cc(-c2ccccc2)nc(N/N=C/c2c(Cl)cccc2Cl)n1 4154777 KZNXCTAWURBQKL-SRZZPIQSSA-N 357.244 5.205 30 40 FKEB COc1ccc(C(=O)/C(=C\c2ccc(C)o2)c2nc3ccccc3o2)cc1 4936847 IZDFZTHNHRZQFF-QGOAFFKASA-N 359.381 5.161 30 40 FKEB COc1cc(/C=N/Nc2ccc3ccccc3c2)ccc1OCCC(C)C 6375612 YMKOCWXXADILDP-LFVJCYFKSA-N 362.473 5.719 30 40 FKEB N#Cc1cccc(O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 7441551 CWQPQWCTDPEHPM-QHCPKHFHSA-N 352.393 5.043 30 40 FKEB Cc1ccc(C2(C(=O)Nc3sc4c(c3C#N)CCCC4)CCCC2)cc1 30822870 GYZWEIATTFGYGJ-UHFFFAOYSA-N 364.514 5.258 30 40 FKEB CC(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 33790373 GYVXRRHGXGRRPP-SRZZPIQSSA-N 355.894 6.033 30 40 FKEB Cc1c(Br)c(/C=N/c2ccc(O)cc2)c(C)n1-c1ccccc1 59104620 MSEQIRKLZXRNFK-CIAFOILYSA-N 369.262 5.313 30 40 FKEB C[C@H]1CCc2sc(/N=C/c3ccccc3Br)c(C#N)c2C1 97831968 NGEMITCMSXKGDN-KKBVUKDESA-N 359.292 5.258 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc4ccccc4c3)c2C)c1 100116705 RSXSPWLNZUIKAZ-WGOQTCKBSA-N 352.481 6.615 30 40 FKEB Cc1cc2c(cc1/C=N/c1ccc(F)cc1)[C@H](C)CC(C)(C)N2C(C)C 223613161 MLVJCGSSUBHAPC-NFXIUMSZSA-N 352.497 6.385 30 40 FKEB O=C(/C=C/Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 2557683 XRTSAEOVKYGURZ-AATRIKPKSA-N 361.747 5.382 30 40 FKEB Cc1cc(/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1Br 3236464 JQXFDMHMXAMZBP-SRZZPIQSSA-N 358.210 5.907 30 40 FKEB CCOc1ccc(/N=C(\Nc2ccc(OCC)cc2)c2ccc(C)cc2)cc1 5584784 WOUVTJBWAOLFHQ-UHFFFAOYSA-N 374.484 5.983 30 40 FKEB S=C(N/N=C/c1cccc2ccccc12)Nc1c(Cl)cccc1Cl 6576454 GHRXVIPWGQAFPJ-SRZZPIQSSA-N 374.296 5.467 30 40 FKEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 8462649 BXTRKESTWQEDCV-OAQYLSRUSA-N 369.464 5.112 30 40 FKEB C=CCOc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 8904985 QVJZLKOXCPSJNL-UHFFFAOYSA-N 359.425 5.083 30 40 FKEB CN(C)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 15985654 GUHVLTSSVAHUPR-XIEYBQDHSA-N 366.468 5.356 30 40 FKEB CSc1nc(NC2CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)n1 19794131 YJMATNNPPDHRPP-UHFFFAOYSA-N 358.898 5.135 30 40 FKEB CN(C/C(O)=N/c1nc(-c2c[nH]c3ccccc23)cs1)C1CCCCC1 49770903 MEQUGODDZDMZAF-UHFFFAOYSA-N 368.506 5.144 30 40 FKEB C=CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635327 LFQUPOHEZYAZDG-UHFFFAOYSA-N 364.253 5.613 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccccc2)c(OC)c1 102562099 SDGVPOSTDDAGFO-UHFFFAOYSA-N 355.522 5.724 30 40 FKEB C=C(C)[C@@]1(C)C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104370304 KDGAGONWGJXDDT-KXUCPTDWSA-N 354.919 5.804 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772491791 PRWWYYCTGGYLJU-VTRIMDARSA-N 372.549 5.476 30 40 FKEB C=CCSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 2447878 SYRVLCUNLHDACN-UHFFFAOYSA-N 360.891 5.480 30 40 FKEB N#CCOc1ccc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 4825296 TZWZOSFBPJVISV-YZVOILCLSA-N 371.267 5.722 30 40 FKEB O=C(/C=C/Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 32100202 RTESCDWWMWAHKV-CCEZHUSRSA-N 367.370 6.181 30 40 FKEB N#CCC(=O)C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 40433997 VMFACABRFGXPLE-VWLOTQADSA-N 368.480 5.303 30 40 FKEB CCCCCCCCCCCCc1ccccc1S(=O)(=O)N=[N+]=[N-] 100004261 ZCRVPHKAQIHANY-UHFFFAOYSA-N 351.516 6.149 30 40 FKEB C(=Nc1ccc(-c2ccc(N=Cc3ccccc3)cc2)cc1)c1ccccc1 257077004 QUDPDXGSAOZKNW-UHFFFAOYSA-N 360.460 6.855 30 40 FKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408910330 KADVZHHYYXAELP-CUNGHOPLSA-N 372.877 5.060 30 40 FKEB CC(C)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408951876 KIXOWHJFUUDYBP-CAOOACKPSA-N 371.072 5.679 30 40 FKEB CCCN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(Cl)cc1 409083851 LRVBQSGTFGCOBP-WGGXDPCSSA-N 362.907 5.416 30 40 FKEB N#Cc1c(/N=C/C=C/c2ccccc2)oc(-c2ccco2)c1-c1ccco1 409388272 TWQHVFLLMCUAEZ-LYGOOREBSA-N 354.365 6.087 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc([N+](=O)[O-])c2)cc1OC 409388998 YPSJSRXSXXFXPV-WXYNYTDUSA-N 362.813 5.185 30 40 FKEB CCCCCCCCCCCCCC(=O)c1cccc(Br)c1 575243095 ZCXZXFGTWDRKHG-UHFFFAOYSA-N 367.371 7.333 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(F)cc1 8278078 QOVXDUMOTPPCIE-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CCCCCCCCCc1nc(-c2ccc(OCCCCCC)cc2)no1 8453781 VELFRACKXQITDP-UHFFFAOYSA-N 372.553 6.989 30 40 FKEB Cc1ccccc1-c1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2o1 102417524 VYIYFEUFRAMXKT-FSJBWODESA-N 362.816 5.913 30 40 FKEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C 208509144 ZKZMVUKWNGTQNV-HYARGMPZSA-N 364.449 5.063 30 40 FKEB CCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 408628847 DIYLPLFTRNRIFW-MRXNPFEDSA-N 366.530 5.585 30 40 FKEB Cc1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1[N+](=O)[O-] 408755537 VKYGNXKOYSJKCL-UUYOSTAYSA-N 367.836 5.715 30 40 FKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C 408807713 OLNPOCLXXQWFIM-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB C#CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409200956 KRLPPLXDVRPDCM-RGVLZGJSSA-N 362.654 5.174 30 40 FKEB C=C(C)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)O[C@H]1c1cccc(C(=O)O)c1 2037879833 SGZDOEUCIQRDFA-UFYCRDLUSA-N 356.849 5.823 30 40 FKEB C[C@H]1CC(C)(C)Cc2c1sc(NC(=O)c1ccccc1Cl)c2C#N 3235883 MRHXPOJTSDCLRO-NSHDSACASA-N 358.894 5.601 30 40 FKEB CCCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n12 4714810 IKLSPVPUBZWXFA-UHFFFAOYSA-N 354.457 5.080 30 40 FKEB Cc1cc(C)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 8335506 NHTMOJGKAFSHDO-MRXNPFEDSA-N 366.530 5.640 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1Cl 8371911 YFGJQCVECMUKRY-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CCCCCCC/C(=N/Nc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 102990138 BCIAYKLQLLBFBY-XDOYNYLZSA-N 355.438 5.477 30 40 FKEB CCCCCCCCCCCCCCCCCCNC(=S)N(C)C 104161145 FQELTPXHYMFIIW-UHFFFAOYSA-N 356.664 6.684 30 40 FKEB CCN1c2cc(C)c(/C=N/c3ccccc3OC)cc2[C@H](C)CC1(C)C 198100771 MYJXJAMIGNXPRW-HIQXPHMNSA-N 350.506 5.866 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1 225765994 NBHRQFLIHLPQTJ-NRFANRHFSA-N 368.546 5.552 30 40 FKEB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1 225855289 BZSNOBCGOHMDMV-HTAPYJJXSA-N 372.509 5.051 30 40 FKEB CCCCCCCCOc1c(Br)cc(/C=N\O)cc1OCC 408539619 ITNAFZAPBYKGPF-UYRXBGFRSA-N 372.303 5.395 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3cc(C(=O)O)ccc3C)c2C)cc1 408757188 VNDDGEXIXFUZTC-OYKKKHCWSA-N 360.457 5.414 30 40 FKEB C=CCOc1ccc(Br)cc1CNc1cc(Cl)ccc1C 409119814 QYSVQAVMALAYCM-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3)o2)c(Br)c1 409234161 MRAXVMARUCBIJI-NHDPSOOVSA-N 374.665 6.422 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2)cc1OC 409388129 UHQAGLOXANWPBC-UORWWSPDSA-N 352.261 5.930 30 40 FKEB Cc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 1640466 ANBOWCQRXCDQPW-UHFFFAOYSA-N 363.501 5.492 30 40 FKEB O=C1C(Cl)=C(n2c3ccccc3c3ccccc32)C(=O)c2ccccc21 1672439 AYBXINDHSPXUQK-UHFFFAOYSA-N 357.796 5.281 30 40 FKEB Fc1cccc(Cl)c1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 4924028 ZJWSIRRKMVGUSL-KPSZGOFPSA-N 352.023 5.885 30 40 FKEB COc1ccc2c(C)cc(NN=C3CCCCCCCCCCC3)nc2c1 7159710 COQGCXKLWNFLRO-UHFFFAOYSA-N 367.537 6.624 30 40 FKEB C=CCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196014 PVZHOOBPXCZYSK-FSJBWODESA-N 372.299 5.566 30 40 FKEB CCCCCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 105342609 WVFLRRAJUDRDNK-UHFFFAOYSA-N 357.494 5.573 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2CC(C)C)cc1 408908458 DZRKZJCTLXJYTL-DYEBMTOPSA-N 364.514 5.563 30 40 FKEB Oc1ccc(OC(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1 1083811011 LSBJREGVWMGAPY-UHFFFAOYSA-N 354.221 5.175 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)c(C)c3)nc2c1 824724 BULSZARTUDTKGF-YDZHTSKRSA-N 371.396 5.770 30 40 FKEB CCCCc1nc2sc(C(=O)OCC)c(/N=C/OCC)c2c2c1CCC2 4909166 WCPNFIDXXOSJLS-CIAFOILYSA-N 374.506 5.001 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccccc1 5302910 RODMECCMEPWLPM-QFIPXVFZSA-N 353.465 6.040 30 40 FKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 5500715 TZRMRHIEGBMIDM-UHFFFAOYSA-N 359.857 5.216 30 40 FKEB CCCCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 5590973 PHDPTENPZLQFLS-FSJBWODESA-N 370.802 5.984 30 40 FKEB CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OC 8084231 QONHTXUIIBMVKI-UDWIEESQSA-N 362.267 5.169 30 40 FKEB CC(C)n1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9197715 RZZPMDVNLBUHNC-LSHDLFTRSA-N 360.288 5.653 30 40 FKEB N#Cc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1 60512497 RNYWVIUBPONPAV-UNOMPAQXSA-N 372.474 5.117 30 40 FKEB O=C(Nc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 103009476 OZSKWPCADFZKLE-UHFFFAOYSA-N 369.211 5.255 30 40 FKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)c2ccccc12 225942497 JSJHRCLPPHJMRM-UHFFFAOYSA-N 359.469 5.612 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(Cl)cc3)cc1)C2 408733559 JUORMEBUVURARU-DHRITJCHSA-N 360.888 6.228 30 40 FKEB CCCCCCCCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 2322420 HWQBTLQZLRXVLZ-UHFFFAOYSA-N 362.499 5.094 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3cccc(Br)c3)n2)cc1 11991930 VUZCBRIHGNSPFV-VXLYETTFSA-N 372.291 5.327 30 40 FKEB C#CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12641726 PNJOJRJSNKVSRF-UHFFFAOYSA-N 350.421 5.423 30 40 FKEB O=C1/C(=C\c2ccc(Br)cc2)c2ccccc2-c2ccccc21 16928500 FUCLOWMKPUKLFD-MOSHPQCFSA-N 361.238 5.853 30 40 FKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 20509901 IRSSRBJGHBHGMI-WAIKUNEKSA-N 356.425 5.259 30 40 FKEB C/C(=N\O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc12 72434043 BWZLAUOBDIMQCC-UFFVCSGVSA-N 364.228 5.825 30 40 FKEB CC(C)(C)/N=C1\CC(C)(C)c2ccccc2/C(=N/c2ccccc2)S1 104294335 RSNMJUIJZLBDNQ-WLQBHDFDSA-N 350.531 6.376 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(C)C[C@H]2CCCC[C@H]2C1 104377615 JGHVKTBNPLLCNM-IQCGEYIDSA-N 364.682 7.734 30 40 FKEB COc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl 198147552 MGZPJQUYWYDOEM-YDZHTSKRSA-N 354.881 5.731 30 40 FKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 408851409 YWCIDXWYRYEXDS-WIXUPIFPSA-N 354.862 5.096 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)S2)cc1 408960770 ITJAUIJWPSLUJI-OQLLNIDSSA-N 363.269 5.193 30 40 FKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 409216906 MFSMJDKOERSIBP-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB N#CCc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 1942114475 IDMJDRNGJIWRII-UHFFFAOYSA-N 358.444 6.517 30 40 FKEB Fc1ccc(-c2ccc(/C=N/c3c(F)c(F)c(F)c(F)c3F)[nH]2)cc1 3245642 OGTFMSJTKJJTGS-HCBMXOAHSA-N 354.253 5.267 30 40 FKEB CCCn1c(C)cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1C 3388823 RAGGSDVLCDIKGV-UHFFFAOYSA-N 372.468 5.315 30 40 FKEB O=C(/C=C/c1ccccc1)c1cc2c(cc1O)O[C@@H](c1ccccc1)CC2 4669044 PQJJUGDLEZTYRQ-ABSORMQESA-N 356.421 5.355 30 40 FKEB C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182736 NFTNYKVRZWTBBR-NHDPSOOVSA-N 359.425 5.058 30 40 FKEB Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461323 WPVIGIZNUAJBKB-WGQIQHNGSA-N 356.834 5.530 30 40 FKEB O=[N+]([O-])c1ccccc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 59483130 ROVBBIFOJXPZAY-HZHRSRAPSA-N 368.396 5.198 30 40 FKEB CCCCCCCCCCOc1ccc(C(=O)Nc2ccccn2)cc1 100286722 MREMVYYTAIGYGG-UHFFFAOYSA-N 354.494 5.853 30 40 FKEB CCCCCCCCCCCCCCCCN1CCS(=O)(=O)CC1 104188580 TZKVXFZSGFFDEL-UHFFFAOYSA-N 359.620 5.198 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] 408737449 AUIDNAMDNRVBRY-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)cc1 408783247 LSNDDZIZGQGWLX-KSEXSDGBSA-N 361.247 6.291 30 40 FKEB CCCCn1c(C)c2c(c1C)C=CC(=CC=C1C=CC(=[N+](C)C)C=C1)C=C2 685944510 SXARZANGAGOAHX-UHFFFAOYSA-N 359.537 5.637 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N/n1c2ccccc2c2ccccc21 2346130 XYLPBRBHJXODKN-SSDVNMTOSA-N 355.224 5.689 30 40 FKEB CCOc1ccc(/C=N/c2cc(Cc3ccccc3Cl)ccc2O)cc1 6439595 ZKNGVALBBSASSF-BUVRLJJBSA-N 365.860 5.786 30 40 FKEB Cc1nc(-c2ccc([C@@H](C)Nc3ccc(C#N)cc3[N+](=O)[O-])cc2)cs1 12797959 XCXQOONXOMCSPF-GFCCVEGCSA-N 364.430 5.072 30 40 FKEB C=CCN(C(=O)c1cc2ccccc2s1)c1nc2c(s1)CCCC2 18698678 NIBZGPBAXDBXSH-UHFFFAOYSA-N 354.500 5.069 30 40 FKEB COc1ccccc1CN/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 20761761 IEIPYPPLGVGNCC-DHRITJCHSA-N 374.362 5.098 30 40 FKEB COc1ccc(O)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 38534883 YPUMRWNZMGCYMW-FSJBWODESA-N 374.352 5.136 30 40 FKEB CCc1ccc(C(=O)/C=C/c2cc3ccc(OC)cc3nc2Cl)cc1 57457776 CGUCMNRIRBTBON-PKNBQFBNSA-N 351.833 5.355 30 40 FKEB C=CCSc1ccccc1C(=O)NCCCc1ccccc1OCCC 219816673 FMHHIDLSGLUSTN-UHFFFAOYSA-N 369.530 5.116 30 40 FKEB N#CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1915124 XZAKQTRLECWOLI-UHFFFAOYSA-N 369.376 5.155 30 40 FKEB Cc1c(C(=O)c2cccc(Cl)c2Cl)c2ccccn2c1CCC#N 6848413 MXNUXURBTKYBIL-UHFFFAOYSA-N 357.240 5.242 30 40 FKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 8116483 LJNZPQIGDOMFAT-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(C(C)C)cc1)CC2 12648713 QIVLYEXUTRVQRM-UHFFFAOYSA-N 366.468 5.485 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C2\CCCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 18130696 IHRPWSXWLYWEMJ-HNOLQLOCSA-N 368.393 5.019 30 40 FKEB CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)c(C)c1 59663954 DDMFFJFYNMZDGR-JJIBRWJFSA-N 367.489 6.183 30 40 FKEB O=C1C(=Cc2ccc(Oc3ccccc3F)c(F)c2)C(=O)c2ccccc21 84576900 WVDIGIDBGWIJDQ-UHFFFAOYSA-N 362.331 5.220 30 40 FKEB CCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC 103685783 SGRCVQDBWHCTIS-IBGZPJMESA-N 356.547 5.963 30 40 FKEB O=C1C=Cc2ccccc2/C1=N\Nc1ccc(/N=N/c2ccccc2)cc1 109562935 HTPQPMPFXUWUOT-NNRWMFKNSA-N 352.397 5.514 30 40 FKEB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N 225823847 QNXMCHMELLNNNL-UHFFFAOYSA-N 374.525 5.151 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 408593374 PKYTVOWOXUMPHQ-MFKUBSTISA-N 357.457 5.079 30 40 FKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1 408737543 CXBCXRXTFHQBMT-MFKUBSTISA-N 358.872 6.651 30 40 FKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc(Cl)c1 409092743 WDTJCQRIUVSGPA-AFUMVMLFSA-N 365.904 6.264 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccccc1 2676649 OWHCXHQIYPMICR-UHFFFAOYSA-O 362.305 5.939 30 40 FKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccc(F)cc1 3207232 PJUQHJIEFNSAFZ-UHFFFAOYSA-N 351.446 5.451 30 40 FKEB N#Cc1ccc(-c2ccc(OCCCCCCCCCCCO)cc2)cc1 4114036 YOFRCGGIYDGMAM-UHFFFAOYSA-N 365.517 6.107 30 40 FKEB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F 20029725 UJHZEGUYDPGSID-UHFFFAOYSA-N 351.221 5.116 30 40 FKEB COc1ccc(C(=O)/C=C/Nc2ccc(/N=N\c3ccccc3)cc2)cc1 100244993 BRGSSWUORSDFSG-PBTXOSIISA-N 357.413 5.919 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)c1 225716721 LMMRYWTWBVVIIA-FQEVSTJZSA-N 354.519 5.306 30 40 FKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1 260569318 PJNKQNJCIVMBFT-DZTFFZQKSA-N 362.561 6.809 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C#N)c1C 409140688 HZBHUGRTYDDCDL-ZVBGSRNCSA-N 369.764 5.340 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1C 409199113 BDCGVBRPPYWZMB-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(-c2ccccn2)c1C 409241894 ZFDCUEYPDCUEAD-UUYOSTAYSA-N 368.278 5.311 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1 4679554 QPBHNMXBPQDKSI-GFCCVEGCSA-N 358.532 5.475 30 40 FKEB Cc1ccc(C)c(-n2c(S[C@@H](C)C#N)nnc2-c2cccc(Cl)c2)c1 6331698 FDBUZUDQPKXMDY-AWEZNQCLSA-N 368.893 5.209 30 40 FKEB CC(C)Oc1ccc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)cc1 12377894 DETJELZXMSNGPR-XMHGGMMESA-N 373.408 5.632 30 40 FKEB COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccccc3)cc2)cc1 59302670 SVXTUCZSIOIIFW-XIEYBQDHSA-N 368.436 6.029 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2ccccc2Cl)cc1 97980739 DYZLMHWIIMYYPQ-HAVVHWLPSA-N 358.913 6.525 30 40 FKEB CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 100003859 QOUBQGAGYOVSAO-PUZFROQSSA-N 361.485 6.241 30 40 FKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccccc3)cc2)C1 408562948 GXFCKVRJNLSTLI-QZZNQRLBSA-N 363.501 6.580 30 40 FKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Br)cc2F)C1 408563583 OKEPSEAAYQPECK-YLSINNKHSA-N 368.290 5.689 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C(C)C)cc1 408916797 ZDRFEQVRVVXJSW-FTIPTLOASA-N 354.450 5.147 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\Cc3ccc(OC)cc3)c2C)cc1 409187373 PPXWJZCUNWSMJL-JLPGSUDCSA-N 362.473 5.121 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 409216389 HSYCATMMMJKXPB-YDZHTSKRSA-N 365.864 5.201 30 40 FKEB C=CCc1cc(/C=C/C(=O)O)cc(OCC)c1OCc1ccc(Cl)cc1 1461694 SNDFCIGMYJJGNW-DHZHZOJOSA-N 372.848 5.144 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1cccn2cc(-c3ccccc3)nc12 3640367 VSSGHVBZHGIWEW-MFKUBSTISA-N 363.420 5.611 30 40 FKEB CC1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 4692958 LJUUUIYYZQQBKY-PWDIZTEBSA-N 357.280 6.459 30 40 FKEB C/C(=N\OC(=O)Nc1cccc(Cl)c1)c1ccc2ccccc2c1O 5612733 YIZCMNDSMBEMMS-WSDLNYQXSA-N 354.793 5.172 30 40 FKEB CCc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)cc1 6356363 LXAAETSCEGWQSM-ULJHMMPZSA-N 366.877 5.366 30 40 FKEB CC(C)N(CC#CC=C(c1ccccc1)c1ccccc1)Cc1ccccc1 57234785 RRXDNATUMLWSDD-UHFFFAOYSA-N 365.520 6.032 30 40 FKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(C)cc3C)c2)c1 409212870 RSJTYTIMYMBLBZ-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 680995 XEHPYPPYIVCICO-ZVHZXABRSA-N 365.404 5.173 30 40 FKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3)nc12 1435226 QRJBYGXJHJXCHS-LPYMAVHISA-N 357.369 5.462 30 40 FKEB C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 4561286 SDJOZSSTILMRAC-JJIBRWJFSA-N 359.498 5.373 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 6959293 XBWLUFQPIYHVDC-WSDLNYQXSA-N 362.256 5.463 30 40 FKEB Cc1ccc(-n2c(-c3ccccc3)cs/c2=N\N=C2CCCCC2)cc1 13082726 LPUKSKFEQNFCEF-GYHWCHFESA-N 361.514 5.735 30 40 FKEB N/C(=N\c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 35681848 FQIHFQOPFKKVND-UHFFFAOYSA-N 355.466 5.514 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1 103012278 FEDYYIBJELJWQU-OQKWZONESA-N 369.465 5.780 30 40 FKEB Cc1c(/C=C/C(=O)c2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 408620331 IHUKVLYAWRZXKC-FOCLMDBBSA-N 369.439 6.033 30 40 FKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2C)cc1 409208659 DIKYLVWWBUWJBG-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CN1/C(=C/C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=Cc2ccccc21 685944243 GDVIRMSGALRPEE-XSFVSMFZSA-N 373.540 6.488 30 40 FKEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 1711993 RPYNQNRJOLZBBC-RTBURBONSA-N 364.894 5.080 30 40 FKEB Cc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 2779422 MERZVOPRKJHMOH-HSZRJFAPSA-N 355.462 5.862 30 40 FKEB Cc1ccccc1C(=O)[C@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 3236402 HXWKTHILVIGJQT-ZDUSSCGKSA-N 360.360 5.114 30 40 FKEB C#CCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1 4140750 XIWWCLWAROHUIQ-UHFFFAOYSA-N 365.436 5.361 30 40 FKEB O=C(Nc1cccc(/N=C/c2ccccc2O)c1)c1cccc(Cl)c1 4551010 ALVPKFBIVCUZJT-LPYMAVHISA-N 350.805 5.049 30 40 FKEB Cc1cc2nc(-c3cc(/N=C/c4ccccc4O)ccc3O)oc2cc1C 4592817 IFUXUIMTMOWHBL-FSJBWODESA-N 358.397 5.273 30 40 FKEB O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)c2ccccc21 4699452 NLXLNUHGGIIOMH-UHFFFAOYSA-N 369.203 5.716 30 40 FKEB Cc1ccccc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C 8811663 SZPKIKUOIUIFPO-ZVHZXABRSA-N 351.881 5.180 30 40 FKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(Cl)c(Cl)c3)c3cccc1c32 12407345 VTVYCYJTSJFFED-HAVVHWLPSA-N 371.267 5.656 30 40 FKEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)o1 13777328 RQMAGTLMDPGBSQ-JAIQZWGSSA-N 366.800 5.437 30 40 FKEB CCN(CC)c1ccc(/C=N/c2ccc3c(c2)c2ccccc2n3CC)cc1 101652780 XUUNUYHYRHRFQZ-NLRVBDNBSA-N 369.512 6.411 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C#N)C1 102615274 YNILPZPGEHGBTC-QBYUYEEZSA-N 370.562 5.536 30 40 FKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccc(F)cc1 225887035 XVPLZNUZKWUNRA-UHFFFAOYSA-N 363.436 5.354 30 40 FKEB CCOc1ccc(N=Cc2ccc(C=Nc3ccc(OCC)cc3)cc2)cc1 254350419 KSHALPAIUOUGBA-UHFFFAOYSA-N 372.468 5.985 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(C(=O)OC)c2)c1C 408964773 DVFDMZWGXNULEJ-IWIPYMOSSA-N 360.457 5.194 30 40 FKEB c1ccc(/C(=N/N=C(/c2ccccc2)c2cccs2)c2cccs2)cc1 1603872 RYRZNIKWTXINJZ-SXAUZNKPSA-N 372.518 6.100 30 40 FKEB C=C1C(Cl)=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 2157075 PYRGQTXBEQMMPU-QFIPXVFZSA-N 358.868 6.683 30 40 FKEB biogenic N#Cc1cc(Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])cc1C#N 4698360 MRYCBCIHGCSHOA-UHFFFAOYSA-N 355.309 5.030 30 40 FKEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)o1 5618403 DHBNQXJFJADKRN-HYARGMPZSA-N 359.454 5.825 30 40 FKEB Fc1c(F)c(F)c(N/N=C/c2ccc(-c3ccccc3)o2)c(F)c1F 6927872 AOJPDPGRPFSHBT-LIMNOBDPSA-N 352.262 5.088 30 40 FKEB C/C(=C/C(=N\Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 8649205 OXSZEXILERCPLU-BWHWHINRSA-N 369.493 6.216 30 40 FKEB CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 8654598 KAOOFVCRPUPNTB-LBPRGKRZSA-N 371.824 5.249 30 40 FKEB Cc1cc(/C=N\c2ccc(O)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 100386046 RBGZUQSSGZPMLS-JJFYIABZSA-N 359.256 5.857 30 40 FKEB O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 100914135 NPGQDHORGPOZSS-ZYBWJBSQSA-N 350.643 5.085 30 40 FKEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1cccc(Cl)c1Cl 2343293 SZFWPEKKTTXLRA-NVMNQCDNSA-N 355.294 5.177 30 40 FKEB C[C@@H]1CCc2sc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2C1 3373237 DWGZJAOWARXEMM-OAHLLOKOSA-N 373.477 5.631 30 40 FKEB O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc3ccccc3c1)c1ccccc1-2 17146330 RRKNEVSCOFLPHQ-WCWDXBQESA-N 350.377 5.898 30 40 FKEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\S/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 43753761 HFXCDODISUHAAO-BRQHXWJBSA-N 358.547 5.538 30 40 FKEB CCCCCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 408737086 HZNXPKAJFFUGJS-JWGURIENSA-N 367.518 6.092 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/NC(=S)Nc3ccccc3)ccc21 672710 LSMPQVMLMWPCQA-HZHRSRAPSA-N 372.497 5.135 30 40 FKEB CC/C(=C/C(=O)c1ccc(Br)cc1)Nc1ccc(OC)cc1 2071049 ZLONITMVPGFRFV-QINSGFPZSA-N 360.251 5.046 30 40 FKEB CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C1CCCC1 6392699 DXJNDNGXVNZRDT-MNDPQUGUSA-N 354.306 5.222 30 40 FKEB O=C1/C(=C\c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 13548869 QMGSAILPIPRCLC-OCIPIQTLSA-N 372.449 5.201 30 40 FKEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)c1 44899697 MCZNCVGZHCKDRS-NRFANRHFSA-N 361.441 5.201 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 59104842 NLAOEEKYNBRYFI-LZCVXGSNSA-N 361.441 6.217 30 40 FKEB N#C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1666845 WRMHSUWVRRMXIN-VXKWHMMOSA-N 370.408 5.259 30 40 FKEB N#Cc1c(Cl)ncc2c1Nc1ccccc1[C@H]2c1c[nH]c2ccccc12 5101065 YVEWMUOLYRUHRU-IBGZPJMESA-N 356.816 5.325 30 40 FKEB N#CCCN(C(=S)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 6500188 HJTDIPWIMBTFMC-UHFFFAOYSA-N 356.322 5.239 30 40 FKEB CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6963966 JQGQMQSKLJJPFW-HZHRSRAPSA-N 351.833 6.282 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c(C)c1 8368674 HTCWEUMUASBGHU-DHRITJCHSA-N 367.851 6.426 30 40 FKEB N#C[C@@H](c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 13957974 BQDVOCMNUGYZHR-PKTZIBPZSA-N 371.871 5.756 30 40 FKEB CCCCCCCCCCCCSc1ccc([N+](=O)[O-])cc1C(C)=O 96022861 JSGIUSDGSWKWSK-UHFFFAOYSA-N 365.539 6.810 30 40 FKEB Cc1ccc(/N=C/c2c(C)c(/C=N/c3ccc(C)cc3)n3ccccc23)cc1 100104936 VMCFLBNLTLDGCV-CTVDDJEBSA-N 365.480 6.366 30 40 FKEB CCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)O 102182660 WGUBUTPKAGTFAB-UHFFFAOYSA-N 374.609 7.510 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)C2 408732976 CCABAMXMDRZGCP-BRJLIKDPSA-N 370.452 5.303 30 40 FKEB N#Cc1ccccc1OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083811678 CJOANZGJGNBSQS-UHFFFAOYSA-N 365.195 5.000 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc(F)cc3)C2=C(O)C1 1547211005 AZKGXCNXZUQLOZ-IBGZPJMESA-N 373.427 5.604 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2cc(Cl)ccc2Cl)ccc1Br 1056150 ZRDWTNAUHZTEGY-REZTVBANSA-N 374.021 5.415 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ncccc13)[C@@H]2c1cccc(O)c1 1080235 IANTVXCXOVTGHY-NRFANRHFSA-N 370.452 5.141 30 40 FKEB Cc1ccc(C)c([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 2360685 WAAKIUOVCOUORW-DEOSSOPVSA-N 369.489 6.170 30 40 FKEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1 4710518 UYSVPNUYLGRLHO-OAQYLSRUSA-N 372.493 5.521 30 40 FKEB CCCCc1ccc(/N=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 4740319 HSKPASDPKHSXJI-XTCLZLMSSA-N 372.512 6.001 30 40 FKEB O=C(c1ccccc1)c1ccccc1/N=C/c1ccccc1Br 4966460 UICKOHSPGIRLAG-HYARGMPZSA-N 364.242 5.431 30 40 FKEB C=C(C)[C@@H](CCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)[C@@H](C)CC 5954053 AUTQGTNTUWGZPT-JKSUJKDBSA-N 354.490 5.548 30 40 FKEB Cc1nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)sc1C 6280156 KUHQWUOWGRLGDT-SRZZPIQSSA-N 371.893 5.438 30 40 FKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc(Cl)c2)cc1 12468271 LVTKSQJHLQNZRA-MTJSOVHGSA-N 370.909 5.441 30 40 FKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408739340 VPXLPIRLVMAUMA-MFOYZWKCSA-N 367.861 5.021 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(C(=O)O)c2C)c1C 408850940 GUCOUUQZSSUQDO-AFUMVMLFSA-N 374.484 5.722 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cs3)c2C#N)C1 712689 SMPIETSCWJTFFZ-QQZXWGPFSA-N 373.503 5.491 30 40 FKEB C=C1C(Cl)=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccc(C)cc1 2157079 PYRGQTXBEQMMPU-JOCHJYFZSA-N 358.868 6.683 30 40 FKEB biogenic CCCCCCCn1c(/N=C/c2cc(OC)ccc2O)nc2ccccc21 2269969 CNVRWJYAWFCUOA-XQNSMLJCSA-N 365.477 5.472 30 40 FKEB CCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 2291437 VHZBLGVEKPBBKA-XMHGGMMESA-N 369.848 5.254 30 40 FKEB Cc1ccc(C(=O)/C=C/S/C=C/C(=O)c2ccc(C)cc2C)c(C)c1 4369380 GAEODVSISGNRMI-WGDLNXRISA-N 350.483 5.746 30 40 FKEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1 5454673 AHRLXAKYMGQKTL-UHFFFAOYSA-N 368.484 5.275 30 40 FKEB C=CCc1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)c(OC)c1 5675542 YJKKZOIRFANYOY-UHFFFAOYSA-N 368.436 5.826 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccc(C#CCC3CCCCC3)s2)cc1 5916699 PKHJXLXJNNPZJC-FOWTUZBSSA-N 364.510 5.975 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 8371839 COWYPSCUGZXOPS-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(C)c1 103757592 CKOSOGIVDQCCFT-UHFFFAOYSA-N 360.542 5.279 30 40 FKEB O[C@@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@H]1CCC[C@H]2/C1=N/Nc1ccccc1 105334888 QYOXYFORJPSJMA-VPBRINKSSA-N 374.528 5.590 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(F)c1 408623979 WAVOZPKYRGVJMD-UHFFFAOYSA-N 373.412 5.226 30 40 FKEB CCN(CC)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 409236455 GOPUDJUUINESKK-HKOYGPOVSA-N 365.521 5.282 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 4673166 NWIWGVNPNKKFDS-AWEZNQCLSA-N 370.493 5.552 30 40 FKEB Oc1c(/C=N/c2ccc(Br)c(Cl)c2)ccc2ccccc12 32101659 WFZAUSVKPJSZIL-KEBDBYFISA-N 360.638 5.712 30 40 FKEB C=CCN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 84638125 CKWMBMMRDQWJES-UHFFFAOYSA-N 354.409 5.328 30 40 FKEB CCCCCCCCCCCCCCCCCCCC(=O)OCCO 100120152 LLLBQVRKHDZZOU-UHFFFAOYSA-N 356.591 6.564 30 40 FKEB in-vitro O=C(/C=C(\O)C(F)(F)F)c1ccc(OCc2ccc(Cl)cc2)cc1 103560371 AAMCTSGFTBIOFS-SXGWCWSVSA-N 356.727 5.106 30 40 FKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C 408622241 OTHCIJLDKOFUFA-PKNBQFBNSA-N 365.860 5.652 30 40 FKEB CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 924051 AOCLNGIYNXZXRI-XMMPIXPASA-N 370.452 5.307 30 40 FKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)s1 4116464 SFGROOPHDIJGEL-QHCPKHFHSA-N 373.521 6.410 30 40 FKEB Cc1ccc(C)c(/N=C/c2c3ccccc3cc3ccccc23)cnsn1 5547543 ZJPMJVGJGWVLAU-DJLQHAJVSA-N 369.493 6.336 30 40 FKEB CCCCCCCCCOC(=O)CC(=O)OCCCCCCCCC 100072228 WFVDDAALIZHTPI-UHFFFAOYSA-N 356.547 5.964 30 40 FKEB CCCCCCCCCCCCCCc1ccsc1Br 100305625 GOUPSYVDGUEWMF-UHFFFAOYSA-N 359.417 7.754 30 40 FKEB in-vitro O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1 408619745 HDVNDLGUVSWHSW-WUKNDPDISA-N 364.444 6.315 30 40 FKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc2ccccc12 408623680 RPOQGVJWHBYFCM-FOCLMDBBSA-N 351.449 6.143 30 40 FKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2ccccc2)c1C 408738346 VPRNCCSKZJTOPV-LPYMAVHISA-N 367.290 5.916 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(Cl)cc1 408768295 VSWJYPZIVCOMMR-JJFYIABZSA-N 359.256 5.857 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3cccc([N+](=O)[O-])c3)c2c1 408782003 FHJZMQLRHLZVGY-OEAKJJBVSA-N 371.396 5.502 30 40 FKEB COc1ccc2ccc(OC)c(/C=N\Nc3ccc(C(F)(F)F)cc3)c2c1 408942229 WXOIZYMQUBBISI-MSXFZWOLSA-N 374.362 5.322 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 409020912 VOUHIUKKYFXEKG-BUVRLJJBSA-N 365.404 5.793 30 40 FKEB N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 687033 SLLMFVHWAFMJIH-UHFFFAOYSA-N 365.285 5.448 30 40 FKEB CCCCCCOc1ccccc1/C=N/Nc1nc2ccccc2s1 4679338 GEPQHYIYRZZKPY-RCCKNPSSSA-N 353.491 5.701 30 40 FKEB COc1ccc(CS/C(S)=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6411227 VHFZKCGXWJYEDV-UHFFFAOYSA-N 368.867 5.108 30 40 FKEB CCCOc1ccc(Br)cc1/C=N/c1cccc(Cl)c1C 6941648 YIFSVAOAUNIHEF-RGVLZGJSSA-N 366.686 5.950 30 40 FKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1NC(=O)c1ccccc1 8334678 FLJGFERQGYDUPW-PCLIKHOPSA-N 367.452 5.393 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(C)cc1 17075294 SIUPQTLWAXZFAG-KIOXBDSISA-N 366.486 5.018 30 40 FKEB C/C(CCc1oc2ccc(Br)cc2c1-c1ccc(C)o1)=N/O 100681347 VULOURFNUUQXKY-GRSHGNNSSA-N 362.223 5.546 30 40 FKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C 208215754 WYLOEMSAXBOJMI-NSMHLIOHSA-N 366.465 5.071 30 40 FKEB N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1cccc2ccccc12 225882003 FTNANWKGUDMJCM-UHFFFAOYSA-N 373.843 5.589 30 40 FKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C 409119654 TWAKHFVZQUHSQA-UHFFFAOYSA-N 354.664 5.579 30 40 FKEB CC(C)(C)c1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O 4739384 WBCVEKDANBNKTL-LPYMAVHISA-N 369.465 5.341 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3c(O)ccc4ccccc34)n2)cc1 4975300 QSSFVEANJGWYQI-WSDLNYQXSA-N 359.454 5.423 30 40 FKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Cl)cc1Cl 5551096 LRXBYNQFDDANMR-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB C(=N/c1ccc2c(c1)Cc1cc(/N=C/c3ccccc3)ccc1-2)\c1ccccc1 17888370 YMZBHUHJIBQDTG-UOSOPFLXSA-N 372.471 6.759 30 40 FKEB CCCCCCCCCCCCCCCC[C@@H](O)CS(=O)(=O)O 104376939 JGBQXHDZRBVCEJ-GOSISDBHSA-N 350.565 5.107 30 40 FKEB C[C@@H](Nc1ccc(C#N)cn1)c1nc(-c2ccc(F)c(Cl)c2)cs1 154763297 RGBVUUPMGJXYDU-SNVBAGLBSA-N 358.829 5.042 30 40 FKEB CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 408586687 OVIGZULGNJDOAF-UHFFFAOYSA-N 368.473 5.466 30 40 FKEB O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1 408620836 KHOXIJMBRSXYFP-ISLYRVAYSA-N 364.444 6.315 30 40 FKEB CCn1c(N/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc21 408692296 JGLDCWCPRCMVGQ-PCLIKHOPSA-N 364.452 5.809 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(N(C)C)cc2)c1C 408848188 QHWYBJRWNFVNQS-XYGWBWBKSA-N 359.517 5.782 30 40 FKEB N#Cc1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCC2 2745129 SJUJMDQRAJBCHI-UHFFFAOYSA-N 351.258 5.058 30 40 FKEB O=C(/C=C(\CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 4369275 FWECCMXTUJYATA-HMMYKYKNSA-N 360.840 5.879 30 40 FKEB CCOC(=O)C1=C(C)C/C(=N\N(Cc2ccccc2)c2ccccc2)CC1 5257946 AULTYLGBLWJPHM-GFMRDNFCSA-N 362.473 5.113 30 40 FKEB N#C[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 5488925 VRIGHLDDQQOJIT-VXKWHMMOSA-N 359.856 6.004 30 40 FKEB FC(F)(F)c1cnc(N/N=C/c2ccc([C@H]3C=CCC3)s2)c(Cl)c1 5523716 JYVVRUAAGLKGTH-FAJRRQPCSA-N 371.815 5.695 30 40 FKEB O=C(/C=C/c1ccccc1Cl)c1ccc(C#CCC2CCCCC2)s1 5945744 OQIFWXRPOFGDOM-FYWRMAATSA-N 368.929 6.620 30 40 FKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OC 6959094 VSDAHLXJSGQEEK-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Cl)cc1 8113509 SMTNVNUTXCQEQP-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB CCOc1ccc(/C=N/c2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1 12489841 RXMSSXXWPFXQSP-PCLIKHOPSA-N 369.468 5.542 30 40 FKEB Clc1cccc(Cl)c1CO/N=C/c1cccc(Oc2ccccc2)c1 12619312 HXFUASMJIARHBV-YDZHTSKRSA-N 372.251 6.336 30 40 FKEB N#Cc1ccc(-c2ccc(OCc3coc(-c4cccs4)n3)cc2)cc1 14738917 LHYYOZLFQKGJPA-UHFFFAOYSA-N 358.422 5.521 30 40 FKEB FC(F)(F)c1ccccc1/N=C/c1nc(-c2ccccc2)n2ccccc12 15441603 ZAMQYRIXOOXPAF-AFUMVMLFSA-N 365.358 5.771 30 40 FKEB CCc1c(C)sc(NC(=O)c2cc(SC)ccc2Cl)c1C#N 28226490 QRMBFYXQGKARLN-UHFFFAOYSA-N 350.896 5.118 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4cnco4)cc3)cc2)cc1 71940527 GORVJNZIINAGCZ-UHFFFAOYSA-N 366.376 5.099 30 40 FKEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1-c1cccc(Cl)c1 408759160 YZWJNYJNVSGNOR-YDZHTSKRSA-N 366.848 5.065 30 40 FKEB CCCCCCCCNC(=S)Nc1cc2ncccc2c2cccnc12 408977117 UGRFFWOJYWTRRQ-UHFFFAOYSA-N 366.534 5.430 30 40 FKEB Cc1ccc(/N=C\c2cccn2-c2ccc(O)cc2)c(Br)c1 409024055 SRXSREUCCJPHDA-NDENLUEZSA-N 355.235 5.004 30 40 FKEB COc1ccc(C(=O)N2c3ccccc3Sc3ccc(C#N)cc32)cc1 1776002743 AZZGGCMHWOVGLF-UHFFFAOYSA-N 358.422 5.010 30 40 FKEB O=C(O)/C=C/c1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 4662531 LTVLVPDKDXIMDY-PSJWAGLYSA-N 351.405 5.841 30 40 FKEB Cc1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1C 4814934 BULWMRRAZOZNLF-SSDVNMTOSA-N 364.401 5.293 30 40 FKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1 5543137 OVYXDNVBUVTSAE-ZRDIBKRKSA-N 372.395 6.550 30 40 FKEB C#CCOc1ccc(Br)cc1/C=N/c1cccc(Cl)c1C 8277799 MAYFETLVYQLECX-RGVLZGJSSA-N 362.654 5.174 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(C)c1 8368725 VCXAQRLLLZHYMT-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB COc1ccc(C(=O)/C=C/C2=C(N3CCCCCC3)Cc3ccccc32)cc1 55129544 DNUQFALCPWWMFV-CCEZHUSRSA-N 373.496 5.278 30 40 FKEB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N/c1ccccc1 100298609 FWCKDMJGNBWHLA-TZIVZOBOSA-N 361.470 5.100 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1C 105453437 PGSQDVHDRKMTAC-UHFFFAOYSA-N 360.542 5.279 30 40 FKEB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1c1ccc(C#N)cc1 199413339 IMRGUSHXBVWQPD-QHCPKHFHSA-N 363.420 5.098 30 40 FKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 408758445 KBJYTTBEKVYUBJ-UCQKPKSFSA-N 352.865 5.897 30 40 FKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(C)cc1Br 409097245 LWTYZNQXCBDUPJ-GRSHGNNSSA-N 352.659 5.560 30 40 FKEB Clc1ccccc1CN/N=C/c1cn(Cc2ccccc2)c2ccccc12 8811549 RWQBVNSRFATQOM-CVKSISIWSA-N 373.887 5.467 30 40 FKEB C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc(C)c1C 16711395 UQRVUKOKGQLWHO-MRCUWXFGSA-N 365.458 5.160 30 40 FKEB Brc1ccc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)cc1 100056022 PIVATZDYQKKODX-FCVKRGBPSA-N 364.246 6.615 30 40 FKEB Cc1cccc(C(=O)/C=C/S/C(=N\C#N)SCc2ccccc2)c1 104839527 PNRQPBLLIOPXRQ-GJUSQAIBSA-N 352.484 5.195 30 40 FKEB COC(=O)c1cc(/N=C/c2cc(C)n(C3CCCCC3)c2C)ccc1Cl 408743089 ZDYGMADBPMCLQT-YDZHTSKRSA-N 372.896 5.801 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408767674 ZTVVZWFKJMPXQF-YDZHTSKRSA-N 350.849 5.701 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(Br)c1 409244847 JMQCNEQHOKALAY-KGENOOAVSA-N 373.294 5.199 30 40 FKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(Cl)cc1 845841 IHRAMUYZTRSUGO-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB CCCCCCCCCCCC1=C(O)C(=O)C(Br)=C(O)C1=O 1590625 WHZUIPQQEGKQGN-UHFFFAOYSA-N 373.287 5.036 30 40 FKEB Cc1ccccc1-c1nc2cc(/N=C/c3ccc(C(C)C)cc3)ccc2o1 2053704 FHPRBRIXMNMMGF-MFKUBSTISA-N 354.453 6.677 30 40 FKEB C=CCN(C(=O)Nc1cc2cccnc2c2ncccc12)c1ccccc1 6303730 KBMAEIRGFLJSSW-UHFFFAOYSA-N 354.413 5.008 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[C@@H](C)CC(C)(C)C4)[C@H]3C[C@@H]12 72324096 PYKDCRBJPIRCPQ-DAKGUZBVSA-N 373.581 5.059 30 40 FKEB biogenic CC1(C)C[C@H]2C[C@@](C)(CN2CC#CC[C@@](O)(c2ccccc2)C(C)(C)C)C1 100783597 FMISKHXPDOXXJM-FTBPSBKWSA-N 367.577 5.214 30 40 FKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408935313 CRQSIRVSFCNIFS-XQUDSNIVSA-N 366.464 5.969 30 40 FKEB CSc1ccccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409241350 ROWQENPQYZULEX-MYYYXRDXSA-N 374.484 6.301 30 40 FKEB Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)C#N 1463360 RHBOZDJFKMBZKV-LJQANCHMSA-N 354.240 5.578 30 40 FKEB C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182738 AFVCVKATMFMRMD-UUYOSTAYSA-N 373.452 5.541 30 40 FKEB CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 710656 NURCMHQWKQQQOI-RUZDIDTESA-N 369.464 5.912 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Cl)c1 1240729 BMOALXSFLKYPSQ-FQEVSTJZSA-N 352.865 5.562 30 40 FKEB Cc1ccccc1C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 1454243 JXUNMYIWZKHUML-STYZJACHSA-N 372.493 5.374 30 40 FKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)OC(C)=O 2106583 FCPHMAOZUSIKSS-YUDLMIBUSA-N 374.609 7.244 30 40 FKEB biogenic Cc1ccc(/N=C/c2cc3ccccc3nc2Sc2ccc(C)cc2)cc1 2897351 TYUZFJBMUPNAAS-PCLIKHOPSA-N 368.505 6.753 30 40 FKEB C[C@@H](CC(=O)c1ccccc1)C/C(=N/Nc1ccccc1)c1ccccc1 4762534 WZDHUHRGRZOZDD-YXKKDJNZSA-N 356.469 5.802 30 40 FKEB Brc1ccc(-c2csc(N/N=C/[C@@H]3CC=CCC3)n2)cc1 5215052 XUHDIMFNKAIMKN-SGEFVQMOSA-N 362.296 5.327 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccc(F)c1 5376975 GSFFDWYZLUOFHV-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB CCCCCCCCCCOc1ccc(NC(=O)NCc2ccco2)cc1 8386263 NSWWDKMDOULHIJ-UHFFFAOYSA-N 372.509 6.121 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C2\CCCCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 18038494 IHRPWSXWLYWEMJ-TXCMAPRMSA-N 368.393 5.019 30 40 FKEB O=[N+]([O-])c1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409074758 RHPHPXNNSJQDKJ-BKUYFWCQSA-N 368.845 6.150 30 40 FKEB COc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cn1 409244565 FONSXIRGCJMPTR-JAIQZWGSSA-N 371.234 5.172 30 40 FKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)c(OC)c1 2892632 WVTZYOCJDXZWHU-OEAKJJBVSA-N 367.518 5.104 30 40 FKEB O=C1C[C@H](c2ccccc2)SC(Nc2ccccc2)=C1c1ccccc1 3052267 OKSCEFUCRIJEAF-OAQYLSRUSA-N 357.478 5.915 30 40 FKEB COc1ccc(/C=N/CC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1 4073247 OUCBQFUPVWLMFD-VLCVKHSRSA-N 359.554 5.762 30 40 FKEB biogenic C/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1O 5612730 OQFNZVHHBYEVQW-WSDLNYQXSA-N 354.793 5.172 30 40 FKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1cccc2ccccc12 8113680 GCSFNVKOYDSOKR-YZSQISJMSA-N 367.448 6.178 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)c2ccccc2)cc1C 44843960 MXKFELQBIHIIDA-CCEZHUSRSA-N 355.437 5.343 30 40 FKEB O[C@]12CCCC[C@@H]1[C@H](c1ccccc1)[C@H]1CCC[C@H]2/C1=N/Nc1ccccc1 101138587 QYOXYFORJPSJMA-ZJNSALNKSA-N 374.528 5.590 30 40 FKEB Oc1ccc2ccccc2c1C=Nc1ccc(Br)cc1Cl 254555512 WDNCHXFLINDQTP-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB Cc1cc(/N=C\c2ccc(Cl)s2)ccc1I 408966647 NHNTWWKWXYEMBH-CHHVJCJISA-N 361.635 5.065 30 40 FKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCCC 409116983 KIARWFJZPXGDOP-UHFFFAOYSA-N 353.506 5.777 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1Cl 409202700 TVQFMBPISXTDSL-YDZHTSKRSA-N 365.864 5.201 30 40 FKEB CC(C)(C)c1ccc(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 826556 XDAHBLZGDOQIJQ-LPYMAVHISA-N 364.401 5.609 30 40 FKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OC(C)=O 1234407 ITSYZFJERORZLA-HZHRSRAPSA-N 361.397 5.163 30 40 FKEB CC(C)(C)C1=CC(=C(c2ccccc2)c2ccccc2)C=C(C(C)(C)C)C1=O 4405456 YYCJKXQRAPJWCE-UHFFFAOYSA-N 370.536 7.016 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 4797819 YEMYFCNCTCTWSD-FSJBWODESA-N 366.848 5.505 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 8371950 VRBWPVXGJNKAGV-YZSQISJMSA-N 351.449 6.478 30 40 FKEB Cc1ccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)cc1 10118897 NQMRDIPOROQGEY-MFKUBSTISA-N 364.876 5.351 30 40 FKEB Cc1ccc(/C=C2\CCC[C@H]([C@H](NO)c3ccc(C)cc3)\C2=N/O)cc1 17968719 HWQOPKDWYTZYLY-BNTSBJKXSA-N 350.462 5.037 30 40 FKEB C=CCOc1ccc(Br)cc1CNc1ccccc1Cl 33671442 MYOLPAMQZMXSNR-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB CCCCCCCCCCCCCCCCCCc1cc(C)ccc1C 78506484 AHLSQOVUIXALIJ-UHFFFAOYSA-N 358.654 9.107 30 40 FKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 409211379 LQDVTZYBJIWNFO-IWIPYMOSSA-N 365.860 6.068 30 40 FKEB COc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 828705 KFPUWWZTHYEXFL-DEOSSOPVSA-N 355.437 5.522 30 40 FKEB O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccccc1 1061561 RWTIAVYPUHTIPX-XSFVSMFZSA-N 358.418 5.235 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cccc(Cl)c2Cl)o1 1101717 BZQDRXSMOQIVMS-LSHDLFTRSA-N 374.223 6.011 30 40 FKEB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccccc1 4180669 GOVAHGCIJNUIER-LPYMAVHISA-N 368.481 5.159 30 40 FKEB C/C(=N\Nc1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2 4867529 SPTAUWCVXMZZLI-LFVJCYFKSA-N 359.498 6.348 30 40 FKEB C=CCOc1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 44904631 AEBGOQGRUFVKEL-SFHVURJKSA-N 361.894 5.414 30 40 FKEB CCCCCC/C=C\CCCCCCCCCc1cccc(OC)c1O 59364631 IBEUJKXFTKVAMQ-HJWRWDBZSA-N 360.582 7.591 30 40 FKEB CN1/C(=C/C=N/c2c(F)c(F)c(F)c(F)c2F)C(C)(C)c2ccccc21 103461007 YKZLAIKVZXFVOL-UZFFBQBVSA-N 366.333 5.396 30 40 FKEB O=C(/C=C(/C=C\c1ccccc1)c1ccccc1)CC(=O)c1ccccc1 104253921 CIHNUILUZTVQRS-YTRZNNHBSA-N 352.433 5.626 30 40 FKEB C=CC[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118926491 ORIMLGKYXLWGDN-IWMXCVPLSA-N 356.550 6.073 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 219797176 FNLXTOAJYBTGED-UHFFFAOYSA-N 361.466 6.009 30 40 FKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 408590158 GJBOHZDYEJBHIR-RGVLZGJSSA-N 356.765 5.059 30 40 FKEB N#Cc1ccccc1Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 408619114 GCJRILSCYNSLPO-CCEZHUSRSA-N 362.432 5.457 30 40 FKEB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H]1CO1 2298284719 XSSQDZHOZAHNGJ-OAQYLSRUSA-N 353.465 5.991 30 40 FKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC)n2)cc1 679118 AVWAKXIETZGPLH-UHFFFAOYSA-N 366.873 5.671 30 40 FKEB C=CC/N=C(\SCC=C)N(Cc1ccccc1)Cc1ccc(F)cc1 7036629 HGXMCNXTKTWVDY-LNVKXUELSA-N 354.494 5.289 30 40 FKEB C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=CC2=O 43808052 UJOCQXHOSBJACO-LCXINAFSSA-N 358.481 5.467 30 40 FKEB CCCCCCCCCCCCCC(=O)OCCCC[C@H]1CCCO1 100304487 YNBODGDUUODERH-NRFANRHFSA-N 354.575 6.580 30 40 FKEB C/C(=N\c1ccccc1C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370408 UQFWDBTZQWAJLJ-KOEQRZSOSA-N 368.436 5.145 30 40 FKEB CCCCCCC/C(=N\Nc1nncc2ccccc12)c1ccc(O)cc1 105548879 CGTRHALXRXZCJU-DARPEHSRSA-N 362.477 5.512 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc21 223482692 GOKLDIDAZYWKLW-UHFFFAOYSA-N 371.480 5.560 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl 408779313 UYZLKMYEJLPXIA-FSJBWODESA-N 357.284 6.460 30 40 FKEB O=C(O)c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409096771 LZHHWCWKWLRMAJ-LPYMAVHISA-N 367.857 5.940 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc([N+](=O)[O-])cc3C)ccc21 5328037 KHEYSBBNOJBLSL-OEAKJJBVSA-N 357.413 5.782 30 40 FKEB CN(C)c1ccc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1 5333927 BQMOAQJRYFZCNP-LFYBBSHMSA-N 367.901 6.031 30 40 FKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1 6246253 RTIMGNXCBDOCEZ-UHFFFAOYSA-N 366.408 5.540 30 40 FKEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C)c1 6472894 NLUGIOUPORJDTC-PLRJNAJWSA-N 360.486 5.384 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccccc1OC 36719749 YJXGUOCYDKSVDO-UHFFFAOYSA-O 357.886 5.294 30 40 FKEB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC#N)cc1 44085541 OBGKAJCMDXRBLF-UHFFFAOYSA-N 374.296 5.770 30 40 FKEB Clc1ccc(COc2ccccc2/C=N/Nc2ccccc2)c(Cl)c1 58822855 BZIJEVWHIYRQDO-YDZHTSKRSA-N 371.267 6.018 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccccc1 96610705 FYDBHUAMKZMRKN-ZFAMVZCKSA-N 356.878 5.354 30 40 FKEB CC[C@@H](C)n1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 408595010 VHZSOIOHEJXVCE-VRCTWVPOSA-N 351.406 5.071 30 40 FKEB CC(=O)Nc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 408740117 IIBZCMQSEUFSQA-OYKKKHCWSA-N 359.473 5.420 30 40 FKEB C=CCOc1ccc(CNc2cc(Cl)ccc2C)cc1Br 409112382 GCXHZDHIRWITNJ-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB CCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330391 KEHQDHAUFSPWBZ-ZCXUNETKSA-N 370.490 8.612 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc(O)cc1 4235619 KXFSYINGMYFMQP-QFIPXVFZSA-N 369.464 5.746 30 40 FKEB biogenic C=CCN(C(=O)c1oc2c(F)cccc2c1C)c1nc2c(s1)CCCC2 7987312 BUPJCPDIJBSYPK-UHFFFAOYSA-N 370.449 5.048 30 40 FKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(C(C#N)C#N)n2)cc1 16311075 PUWNBGIUUFMNMZ-UHFFFAOYSA-N 368.827 5.380 30 40 FKEB CC/C(=C\C(=O)c1ccc(OC)cc1)Nc1ccc(Br)cc1 59489059 XAUDWZLHDVWKCR-NTCAYCPXSA-N 360.251 5.046 30 40 FKEB CCCCCCCCCCCCSC(=S)N(CCC#N)CCC#N 100934577 BYWDVAKFEMZXNN-UHFFFAOYSA-N 367.628 6.055 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1C 408741619 QZVXULAHNDUZKW-XKZIYDEJSA-N 362.433 5.065 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 408960874 PCWKDHNAVJQISX-JJIBRWJFSA-N 364.489 5.303 30 40 FKEB Fc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1N1CCCC1 409068124 HIXBXSKZIZYRID-KOEQRZSOSA-N 360.432 5.969 30 40 FKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 409217492 CMKDJPPLMCEWLF-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB N#Cc1c(Oc2ccc3ccccc3c2)sc(C(=O)c2ccccc2)c1N 1403818 ICUFOAHBPBFQNU-UHFFFAOYSA-N 370.433 5.378 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1c(C)cc(C)cc1C 1923532 AEOVWQPGBUCYTK-UHFFFAOYSA-O 369.941 6.211 30 40 FKEB CC(C)CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 2769062 TYWFRQGDTBWHDH-UHFFFAOYSA-N 368.502 5.176 30 40 FKEB Brc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 2842561 MGCVPCUKBNNZCH-HYARGMPZSA-N 366.258 5.779 30 40 FKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 4074988 BDUZAOKMWOWWMI-WAIKUNEKSA-N 372.493 5.728 30 40 FKEB CC(C)n1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c2ccccc21 4501446 UOHDRLYJRWNHFF-UNOMPAQXSA-N 361.470 5.114 30 40 FKEB C=C[C@]1(C)[C@@H](O)CC[C@H]2[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C 4533102 LCPAUIIWRMSYSN-WJPQBGAJSA-N 362.554 5.124 30 40 FKEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2cccc3ccccc23)S1 5551487 MLWJEGBXSKVTPT-XSFVSMFZSA-N 358.466 5.294 30 40 FKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cccc(Cl)c2Cl)c1 6320866 IWQXZXWFRJTERD-QPSGOUHRSA-N 367.585 6.112 30 40 FKEB COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1Cl 6897377 NAXFWBNWKZFDBP-SOFGYWHQSA-N 351.627 5.007 30 40 FKEB Cc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3ccc(C)o3)C2=O)o1 16740140 RBNINQASNNFITK-AYRZQKSOSA-N 373.452 5.041 30 40 FKEB CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 59109327 DRAHSFSCJCPWGK-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB Fc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59463557 ZLUUUMJLUPONFF-BUVRLJJBSA-N 358.441 6.367 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 408585473 FLKAJEWJHBMMIS-UHFFFAOYSA-N 373.924 6.640 30 40 FKEB COc1cc(C)c(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1C(C)C 408981708 WFEPBBJZRZNVFP-UHFFFAOYSA-N 371.484 5.449 30 40 FKEB COc1cc(/C=N/c2ccc3ccccc3c2)ccc1OCc1ccccc1 1946815 AISAQCQSPMNDST-YZSQISJMSA-N 367.448 6.178 30 40 FKEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 4115361 PWDHIIQLPYMRKH-UHFFFAOYSA-N 360.505 5.247 30 40 FKEB O=C1ON=C(c2cccc3ccccc23)/C1=C/c1ccc(Cl)cc1Cl 5876342 IKPKFWPRZGXYTM-YVLHZVERSA-N 368.219 5.491 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 8371826 XAXRSTIQBQWTNP-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 10118940 OCJHOSPDIFCQAV-ZMOGYAJESA-N 372.299 5.525 30 40 FKEB CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)C2CCCCC2)cs1 54897763 GPOFGTOZSPDXMS-JLHYYAGUSA-N 368.502 5.299 30 40 FKEB C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CO 72191380 OIQGIUGCYRSAKT-RSYGDTPCSA-N 358.610 7.707 30 40 FKEB CCCCCCCCCCCC[C@@H](CN)CCCCCCCCCC 103574494 ASAVFBNAUMXKHJ-DEOSSOPVSA-N 353.679 8.403 30 40 FKEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223020741 CNLHAYSXDRQKBT-LJQANCHMSA-N 359.853 5.009 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2C(C)C)cc1 408908455 DZMHMYKAKBTGDT-FTIPTLOASA-N 370.905 5.661 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl 409202525 QXSCLOZGMQXNCT-UFFVCSGVSA-N 352.648 5.718 30 40 FKEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cscc2C(F)(F)F)cc1 598823666 JVMVMSUQQAHGMZ-HNNXBMFYSA-N 366.408 5.059 30 40 FKEB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C#N)c(N)c23)cc1 849504 XZCKSQIBBHRLIH-UHFFFAOYSA-N 371.465 5.401 30 40 FKEB C[C@@H]1CCc2sc(NC(=O)Cc3cccc4ccccc34)c(C#N)c2C1 5185839 OXKSQHCPDUDYOF-CQSZACIVSA-N 360.482 5.079 30 40 FKEB C=CCSc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl 19295838 DNATUNJFFHAJDP-UHFFFAOYSA-N 356.249 5.663 30 40 FKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 21722447 YARIMRFAKUAHDK-QHCPKHFHSA-N 360.501 5.631 30 40 FKEB CN(Cc1cccc(C#N)c1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 58345429 TYHFAJCKXQBGPX-UHFFFAOYSA-N 366.892 5.072 30 40 FKEB CCCCCCCCc1ccc(/N=N/c2ccc(OC(=O)CC)cc2)cc1 68569001 MUIVXJSRXVPYRT-OCOZRVBESA-N 366.505 7.320 30 40 FKEB CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1 100309318 KPWVFNOPNOTYNJ-UHFFFAOYSA-N 374.609 8.105 30 40 FKEB Clc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)c(Cl)c1 100888361 JQAUFRJFNDUOMO-FSJBWODESA-N 372.299 6.599 30 40 FKEB CCN1c2ccc(/C=N/c3ccc(OC)c(Cl)c3)cc2C(C)=CC1(C)C 198157851 CCEXZHXQFRXRNG-ZVHZXABRSA-N 368.908 6.121 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N 225848662 PBUAIZZTNRGXJD-NRFANRHFSA-N 360.498 5.051 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2ccccc2I)cc1 408550089 DMTGTRSGNRNAEW-KZKLBEMASA-N 363.242 5.555 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)c1C 409203899 ZRVYRUQZPUVJKJ-ZVHZXABRSA-N 359.425 5.331 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409383530 WJSPYJUWWBCJAG-XIJPWPHISA-N 366.288 6.238 30 40 FKEB CC1=C(/N=N/c2cc(O)cc3ccccc23)C(=O)[C@@H](c2ccccc2)[C@@H]1C 1554504453 UXOWQUMFAGQLRA-OYJUJUJPSA-N 356.425 5.906 30 40 FKEB C(=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1ccccn1 5685077 NOPLMEHJTMCWKH-HZHRSRAPSA-N 356.454 5.318 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 5698560 HPODSUBPBFWPGH-JXMROGBWSA-N 357.236 6.458 30 40 FKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1sccc1C)C2=O 13655255 KZFBPGTVTWAIAK-PDGQHHTCSA-N 371.502 5.000 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1nc(-c3ccccc3)ccc1C#N)C2=O 221828954 ASRKMGFOXOKHTE-BPXKWBHBSA-N 362.498 5.106 30 40 FKEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 223020959 WSSMOBJXZLTIPU-IBGZPJMESA-N 359.853 5.009 30 40 FKEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1cccc2ccccc12 225857175 LOFJNAMWZJFQRI-UHFFFAOYSA-N 371.871 5.388 30 40 FKEB O/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226321964 IOUSSTRTZPAZOC-KPSZGOFPSA-N 365.043 5.687 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(F)cc1 408784515 TZIPELRBELDFTK-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB CCOc1ccc(Cl)cc1-c1c(-c2ccccc2)c(C)[nH]c(=N)c1C#N 408811239 AFVFYGDTAWPGCE-UHFFFAOYSA-N 363.848 5.060 30 40 FKEB Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 996516 WYXHIXYPQJMLFB-CQSZACIVSA-N 352.503 5.332 30 40 FKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1 7939575 NRCOTWUGSCHBHX-DHZHZOJOSA-N 374.440 5.080 30 40 FKEB CC(C)c1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 198085352 KBAOLTXUIYKWDN-MMDHUZEPSA-N 368.952 6.936 30 40 FKEB Cc1oc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(C#N)c1C 408586130 BJNPECLOXAHHOT-FOKLQQMPSA-N 351.837 5.580 30 40 FKEB COc1cccc2c(/C=N/c3cc(C)ccc3C)c(-c3ccccc3)[nH]c12 408842014 NHPBLVBVGHLTKJ-MFKUBSTISA-N 354.453 6.211 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 408951335 ISRQEENHMQPZRO-KGENOOAVSA-N 368.278 5.056 30 40 FKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(F)cc1 409200789 IZFZBUNGYVXOKB-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1C 409216495 LYQSYLVEMMAVTM-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3ccc4cccc5ccc2c3c45)cc1 825444 NOOASOLYHTZBJR-ZVHZXABRSA-N 350.377 6.243 30 40 FKEB Cc1c(Cc2ccc(Cl)cc2)c(Cl)n2c(nc3ccccc32)c1C#N 1467894 XVQARIADCASXJT-UHFFFAOYSA-N 366.251 5.565 30 40 FKEB CCCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12 1566126 VKOVATKEODWLIK-UHFFFAOYSA-N 363.501 6.580 30 40 FKEB CCCCn1c(/N=C/c2cc(Cl)cc(Cl)c2O)nc2ccccc21 2267039 QAILIFPQCMHGLK-SRZZPIQSSA-N 362.260 5.599 30 40 FKEB FC(F)(F)c1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1 3344330 XHVWNXPOZIOJNI-MFKUBSTISA-N 352.359 5.577 30 40 FKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 3666190 BDYUCQDKSINQLM-HUSFYUSLSA-N 365.546 5.587 30 40 FKEB O=C(Oc1ccc(/C=N/Nc2ccccc2)cc1)c1ccccc1Cl 4694012 FGMURURFJLCUCG-HYARGMPZSA-N 350.805 5.005 30 40 FKEB Brc1ccc(/N=C(\Sc2ccccc2)c2ccccc2)cc1 4714745 PWDBKJQIAHMWSF-VZCXRCSSSA-N 368.299 6.320 30 40 FKEB COc1ccc(-c2csc(/N=C/c3c(O)ccc4ccccc34)n2)cc1 6484563 BDLJIFOLQMOTRZ-WSDLNYQXSA-N 360.438 5.428 30 40 FKEB CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br 6963905 IDVUXKFXIIBUNX-VXLYETTFSA-N 352.659 5.560 30 40 FKEB Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cccc3ccccc23)S1 7165017 PPNCTIUGMIOQGX-CPNJWEJPSA-N 358.466 5.348 30 40 FKEB Clc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 16545405 ZPCQKHOMMQGCKE-JAIQZWGSSA-N 353.834 5.656 30 40 FKEB CCCN(CCC)c1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19794133 AADACQFKXLWSLD-UHFFFAOYSA-N 360.914 5.017 30 40 FKEB COc1ccccc1/C=N\c1ccc2c(c1)nc(C)n2Cc1ccccc1 85944403 JNIATJCDNRIDSO-IWIPYMOSSA-N 355.441 5.152 30 40 FKEB CCCCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 101618644 DIMFSOKQHMAJOF-HEHNFIMWSA-N 363.457 5.380 30 40 FKEB CCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530901 ZWSMKHOUNJKBLI-BUHFOSPRSA-N 364.389 7.687 30 40 FKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)c2ccccc12 225940719 ULKOIDOWNGKWHM-UHFFFAOYSA-N 357.453 5.383 30 40 FKEB Cc1ccc(C=Nc2sc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 245228921 JCHLWXFBTYQRHO-UHFFFAOYSA-N 368.461 6.606 30 40 FKEB Cc1c(C#N)cc(C#N)c(C)c1-c1c(C)c2c3c(c1C)CCCN3CCC2 256055177 ZOIRVDYJNDESJB-UHFFFAOYSA-N 355.485 5.029 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(=O)OC)c2C)c1C 408966770 NJULVYLVDIYYAI-MFKUBSTISA-N 374.484 5.502 30 40 FKEB C#CCOc1c(CC=C)cc(CNc2cc(Cl)ccc2C)cc1OCC 409120951 UUVOFAQAYCESSH-UHFFFAOYSA-N 369.892 5.400 30 40 FKEB Cc1cccc2cc(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc12 4849065 KOAAYTIUQUSNPQ-UHFFFAOYSA-N 352.846 5.043 30 40 FKEB Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C(C)C 223618359 ZRMIBCAKROHFBH-YMKHCOABSA-N 368.952 6.900 30 40 FKEB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1 225855272 BZSNOBCGOHMDMV-VGSWGCGISA-N 372.509 5.051 30 40 FKEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 225882454 OSPLSSIBAWVCAX-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 408723375 UCAKJEHWLPIWDU-ZMOGYAJESA-N 360.413 5.106 30 40 FKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 408739700 ZQICBUGNDMXEFT-HGQQOXHYSA-N 354.862 5.096 30 40 FKEB CC(/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)=C\c1ccccc1 409208315 AOJPWNQZPCUTAN-LUUPDICESA-N 362.542 6.577 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1Cl 409215587 BUPJGLSTWPWQII-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330237 QHUVKEVOWSCJPA-SEYXRHQNSA-N 350.362 7.296 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 1436619 PLGJVIYZCXXAPA-XQNSMLJCSA-N 368.396 5.198 30 40 FKEB CCCCSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N 2051478 VVTMHWBWRQTDMZ-UHFFFAOYSA-N 362.473 6.319 30 40 FKEB C=C[C@@](C)(O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC(C)=O 4348206 ATQYAMUGIFHJOX-WQIFRTTPSA-N 350.543 5.268 30 40 FKEB CCC[N+](/C=C\C(=O)c1ccc(Br)cc1)(CCC)CCC 33373991 HQWWYJZEALWVPL-PTNGSMBKSA-N 353.324 5.192 30 40 FKEB C#CCOC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635322 LRQVSNKQCGFDCV-UHFFFAOYSA-N 362.237 5.060 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc2[C@@H](C)CC1(C)C 223586799 TVRLKHFCWSXVQR-SAHIIKMKSA-N 363.549 5.924 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 3896879 MRZNTGDCBGBPEJ-BUVRLJJBSA-N 360.457 5.813 30 40 FKEB CCc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4175471 FICJJYMPEDEVON-JJIBRWJFSA-N 366.877 5.366 30 40 FKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2)C12CCCC2 5695277 JMXLDBRTSAZRCH-UHFFFAOYSA-N 363.530 5.295 30 40 FKEB Cc1cccc(/C=N/c2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1O 6614488 SYADERHROOQHBE-FOKLQQMPSA-N 363.804 5.308 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 6880677 LRUVDPHFAAKHAE-WSDLNYQXSA-N 366.288 6.240 30 40 FKEB Oc1ccccc1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 68603174 OVTAAKYSEOYIDE-ZVHZXABRSA-N 373.843 5.649 30 40 FKEB CCCCCCCCCCCCCCCC(=O)NCCN(CC)CC 104110117 KCLXSYIZWFJVDV-UHFFFAOYSA-N 354.623 5.926 30 40 FKEB CCCCCCCCNCc1ccc(OCc2cccs2)c(OC)c1 105343431 STDLUROUENFZGA-UHFFFAOYSA-N 361.551 5.786 30 40 FKEB N#CCc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225853055 SNQBVTUIIDKXHO-UHFFFAOYSA-N 369.921 5.162 30 40 FKEB Cc1cc(/C=N\c2ccc(Nc3ccccc3)cc2)ccc1N1CCCC1 408859117 WPIBAPLVYSFHHG-BWAHOGKJSA-N 355.485 6.089 30 40 FKEB COC(=O)c1cc(/N=C/c2ccc(-c3cccc(F)c3)o2)ccc1Cl 409009728 BPGVUTFZGREJBD-SSDVNMTOSA-N 357.768 5.276 30 40 FKEB CSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409074127 RZYBAWLJWGKVBU-HYARGMPZSA-N 369.942 6.964 30 40 FKEB Cc1ccccc1-c1nc2cc(/N=C/c3cccc([N+](=O)[O-])c3)ccc2o1 1055629 ZMHXOOILLXHODQ-LPYMAVHISA-N 357.369 5.462 30 40 FKEB O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)c2ccccc12 1623496 HPEOMQZRIRUKRB-UHFFFAOYSA-N 352.661 5.727 30 40 FKEB O[C@H](C/C(=N/Nc1ccccc1)c1ccccc1)CC(Cl)(Cl)Cl 5544434 SHKKYPMKPQTNOR-QJIFYWSCSA-N 371.695 5.014 30 40 FKEB C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)[N+]1(C)CCCCCCC1 6491587 XEWZFOOGJGNMKD-JOCHJYFZSA-N 361.553 5.686 30 40 FKEB C[C@@H]1CCc2c(sc(/N=C/c3cc(Br)cs3)c2C#N)C1 12417838 IBGBNNLBDKBFOM-NKXMEUTISA-N 365.321 5.319 30 40 FKEB Fc1ccc(/C=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 16740000 VPFYCEVSQGPRRJ-JZIGQTSASA-N 373.456 5.280 30 40 FKEB COc1ccc(-c2csc(N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)n2)cc1 100053446 FKCHKTAROZJYOA-UKTLLCOVSA-N 355.507 5.433 30 40 FKEB CCc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 198085810 DYRLSOJBMOFCMD-BGHCKBSUSA-N 354.925 6.375 30 40 FKEB COc1c(Cl)cc(Cl)cc1C=Nc1sc2c(c1C#N)CCCC2 245229254 RYAXKGPLIDYASK-UHFFFAOYSA-N 365.285 5.565 30 40 FKEB COc1cccc2c(/C=N/c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)[nH]c12 408837497 HFCTZPTXWJGLIZ-OEAKJJBVSA-N 371.396 5.502 30 40 FKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1 408908502 FJIOLLGEHZNFEM-YWRZKIKVSA-N 366.486 5.103 30 40 FKEB CCn1c(C)c(/C=N/CCNc2cccc3ccccc23)c2cc(C)ccc21 409037682 UHHDMCPCTVGAIK-YZSQISJMSA-N 369.512 5.962 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl 409199788 DWCJKXYMTOTUCC-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccccc3)c2)cc1C 409376303 WXPNXWVOFAUCRV-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB CN(C)c1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 1512993 KOCZVXVZBCKJCW-ZVHZXABRSA-N 371.396 5.488 30 40 FKEB C[N+](C)=C/C=C(\Cl)c1ccc(N(c2ccccc2)c2ccccc2)s1 16248916 SWVTUMYZOFELOE-UHFFFAOYSA-N 367.925 6.141 30 40 FKEB Cc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)c(Cl)c1 44843503 QCQDOLQJTIVTPW-CMDGGOBGSA-N 350.643 5.219 30 40 FKEB O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 97992923 VHRWKGKBNIKHMS-SDQBBNPISA-N 363.344 5.422 30 40 FKEB CCN1c2ccc(/C=N/c3ccc(NC(C)=O)cc3)cc2C(C)=CC1(C)C 198160259 PEFOTKXHXAZPFZ-BUVRLJJBSA-N 361.489 5.417 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)c1 408966411 LMBWDCYWBGEDHD-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 409376000 RXPGJLKBXABBPW-FNYWAWLUSA-N 373.924 6.790 30 40 FKEB CC(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 4857766 CVLIAECLGIXQNH-PGMHBOJBSA-N 367.448 6.375 30 40 FKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCO2 4923549 IBHAWAULAJZJRZ-UFWORHAWSA-N 357.624 5.212 30 40 FKEB CC/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 6077060 UGUFTJSZBGXUOT-RVDMUPIBSA-N 364.670 5.691 30 40 FKEB Cc1c(/C=C\C(=O)/C=C/c2sc3ccccc3c2C)sc2ccccc12 33376459 SZCQZLNFSLGHEO-HEEUSZRZSA-N 374.530 7.029 30 40 FKEB Cc1cc(C)c2c(=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2c1 97951140 XQVARWPDGVDRHE-UHFFFAOYSA-N 374.227 5.037 30 40 FKEB CCCCCCCCCCCC1=C2ON=C2C(c2ccccn2)=C(O)C1=O 104246243 JXPQDBPSVBRCAF-UHFFFAOYSA-N 368.477 5.495 30 40 FKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 225676175 XAFOWPSKNIKBLR-UHFFFAOYSA-N 362.473 5.188 30 40 FKEB CC(C)c1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C(C)C)c1O 408859106 WOTTVNWEEVVNCS-YZSQISJMSA-N 372.512 6.811 30 40 FKEB O=C(Nc1ccc(/N=C/c2c(O)cccc2Cl)cc1)c1ccc(F)cc1 711047 IQBYLKLKAQQDAA-FSJBWODESA-N 368.795 5.188 30 40 FKEB CCCCCCCC[C@]1(CCC)NC(=S)N(c2ccc(Cl)cc2)N1 2347578 YJCMVERGLHUEOU-LJQANCHMSA-N 367.990 5.786 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccncc1 4994252 WNAWWPQXMTWEPS-VULFUBBASA-N 373.847 5.181 30 40 FKEB O=[N+]([O-])c1cccc(/C=N\c2cccc3c(-c4ccccc4)ccnc23)c1O 5672860 XEBWHJNFJTXTMC-OYKKKHCWSA-N 369.380 5.266 30 40 FKEB CCCCCCCCCCCCCCCCCCn1cnc2ccccc21 8440024 JDJHCRCZAHZARW-UHFFFAOYSA-N 370.625 8.298 30 40 FKEB Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461322 WPVIGIZNUAJBKB-FNPLVTCOSA-N 356.834 5.530 30 40 FKEB CCCCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1Cl 102819743 AZPYPFOPLUFRSB-OAHLLOKOSA-N 373.884 5.184 30 40 FKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1 104359008 CGHKAWXHKWPCQV-UHFFFAOYSA-N 374.613 7.598 30 40 FKEB Cc1cc(/C=N/c2cccc(O)c2)c(C)n1-c1ccc(Br)cc1 408738519 LHBVPCPQMRYVQR-CIAFOILYSA-N 369.262 5.313 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc4c(c3)OCO4)c2C#N)C1 409088647 GUEPGFHOPQBXBN-YTRQYYDFSA-N 366.486 5.250 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1Br 756953 UPWLKTHFBMQVRH-UHFFFAOYSA-N 353.194 5.189 30 40 FKEB Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c(C)c1 1435232 YFTYEEUEWCXZBY-DNTJNYDQSA-N 366.686 5.792 30 40 FKEB CCCc1cc(Nc2cc(C)cc(C)c2)n2c(nc3ccccc32)c1C#N 1472973 FZQJCMAKJHAVMT-UHFFFAOYSA-N 354.457 5.672 30 40 FKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 2368092 MDXSGDQMLLJEQY-PDGQHHTCSA-N 368.454 5.158 30 40 FKEB N#Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCC2 3187603 YSSZHXOALPMITL-UHFFFAOYSA-N 351.258 5.058 30 40 FKEB C=CCSC1=NC(/C=C/c2ccc(Cl)cc2Cl)=CC(C)(C)N1 4039930 UARMTBHFRVRVNA-SOFGYWHQSA-N 353.318 5.548 30 40 FKEB Cc1cc(Sc2nc3ccccc3s2)n2c(nc3ccccc32)c1C#N 12660854 FMWQZDBIYWJHNA-UHFFFAOYSA-N 372.478 5.429 30 40 FKEB CC1(C)OC(c2ccccc2)=C/C(=C\C=N/c2ccc3ncccc3c2)O1 13756961 DZLWXAMRMLIEHI-QUAINLHDSA-N 356.425 5.645 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccc(OCc3ccccc3)cc2)cc1C 44843927 OQVOOVFNXCDAHQ-CCEZHUSRSA-N 357.453 5.691 30 40 FKEB O=C1/C(=C2\Cc3ccccc3N2)c2ccc(Br)c3cccc1c23 102605638 MKNIBFRIBDGNRK-HTXNQAPBSA-N 362.226 5.178 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSCc1ccccc1 103623608 CPCRIMGVZZVFTH-UHFFFAOYSA-N 370.280 5.778 30 40 FKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 225676239 RRYSENPBJWSRQF-KRWDZBQOSA-N 362.473 5.186 30 40 FKEB Cc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)c(Br)c1 408959574 BFEICSXZLGMPJT-STZFKDTASA-N 357.295 5.498 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc2ncccc2c1 408964548 DILAJPJMOQYNPO-AFUMVMLFSA-N 369.424 5.091 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1ccc(N2CCCC2)c(F)c1 409070210 NLQFVKABZATSBM-MTJSOVHGSA-N 361.258 5.247 30 40 FKEB C#CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OCC 409114337 GVYCGVKTSOAWFS-UHFFFAOYSA-N 364.272 5.325 30 40 FKEB Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2O)c1O 724161 LKXAMVWVOUMFRW-WSDLNYQXSA-N 360.438 5.434 30 40 FKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 3191950 JZOKWIUODHJRCL-FYJGNVAPSA-N 352.777 5.791 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Cl)cc3)n2)c(C)c1 4175387 IBIXYXBJZJOOLH-JJIBRWJFSA-N 366.877 5.420 30 40 FKEB O=C(/C(=C\c1cccc(Cl)c1)c1nc2ccccc2o1)c1ccccc1 4747045 WXOHYCQMJQXXRP-NBVRZTHBSA-N 359.812 5.905 30 40 FKEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1C[C@H](C)C[C@@H](C)C1 4981669 YNDJUXONCOBARF-IAGOWNOFSA-N 374.532 5.493 30 40 FKEB COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2cc3ccccc3o2)o1 5866488 VRGPRONWAHWOIW-ZRDIBKRKSA-N 372.376 5.376 30 40 FKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1cc(Cl)ccc1Cl 6552572 GZWDLOSBJCDOAY-UHFFFAOYSA-N 371.676 5.249 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)cc(F)c1 18172871 MZJGLZTVKGQGQQ-FQEVSTJZSA-N 354.400 5.187 30 40 FKEB CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525448 QLHPCXQRDNZMNR-UHFFFAOYSA-N 368.230 6.450 30 40 FKEB CCCCCCCCCCCCCCCC(=O)NOCc1cscn1 104131630 ICRBBEKSGZHYSN-UHFFFAOYSA-N 368.587 6.172 30 40 FKEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216813937 ZDFRROSWYHFRNO-UHFFFAOYSA-N 371.647 5.569 30 40 FKEB C=CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1792657 BEXYNGCEBKWZEL-UHFFFAOYSA-N 369.559 5.595 30 40 FKEB Clc1ccc(/C=C/C=N/c2ccc3c4c(cccc24)CC3)c(Cl)c1 2067227 CZNLFQPEHPMXGP-AMKUCRCLSA-N 352.264 6.661 30 40 FKEB CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1 3080233 JYVOTWNJBFTPLZ-QGMBQPNBSA-N 353.299 6.076 30 40 FKEB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=N/c2ccccc2)cc1/C=N/c1ccccc1 4265915 YUSMEIOHMVDTRL-JFMUQQRKSA-N 374.356 5.004 30 40 FKEB C[C@H]1CCc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C#N)c2C1 5185860 XAFYWNNERUOKSZ-VIFPVBQESA-N 365.285 5.304 30 40 FKEB Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccco2)c2ccc(F)cc2)cc1 5617844 KGHGPPSSTBSVRJ-YVQFLURJSA-N 363.388 5.092 30 40 FKEB COc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1OC 6720073 OCONUWSWHWZRSC-OEAKJJBVSA-N 363.461 5.309 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC 6880717 KECSBNQBYABQFP-SRZZPIQSSA-N 352.261 5.850 30 40 FKEB CCCCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1 8452342 GCVRIANSQIJHOO-UHFFFAOYSA-N 374.613 7.172 30 40 FKEB N#Cc1cccc(N/C=C2/C(=O)c3c(F)cccc3[C@H]2c2ccccc2)c1 8642970 XVCODOIHEIVHMA-CKNGIZQFSA-N 354.384 5.022 30 40 FKEB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCCC1 225852910 GGCOXCIUKIPRIT-UHFFFAOYSA-N 372.509 5.051 30 40 FKEB O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)cc1 408932787 DZYMJQVNRSEDHJ-UUYOSTAYSA-N 359.307 5.155 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OCC 409113334 FNRBXXMHZOCUBB-UHFFFAOYSA-N 351.490 5.608 30 40 FKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccccc2F)c1 409213522 UQPHXJXJNIKGMS-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCCC2 4174167 OCGVDXXSUUMDPG-UHFFFAOYSA-N 371.314 5.509 30 40 FKEB COc1ccc(/C(C)=N/Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 4922862 MYGWEUDHEBMKRJ-LSHDLFTRSA-N 372.774 5.212 30 40 FKEB O=C(/C=C/c1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 5279090 KJXKTKQESSHFLK-BMRADRMJSA-N 364.444 6.315 30 40 FKEB CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC 6155460 NMNHLLAKXSQITN-XBXARRHUSA-N 351.229 5.297 30 40 FKEB COc1ccc2cc(C(=O)/C=C/c3ccc(N(C)CCC#N)cc3)ccc2c1 6319932 VCPGGRZZJCVSNX-AWNIVKPZSA-N 370.452 5.094 30 40 FKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 6338147 JUJKUHASBRYZDZ-FNORWQNLSA-N 356.046 5.652 30 40 FKEB Cc1ccsc1/C=N/Nc1ncnc2cc(-c3ccc(F)cc3)sc12 6786474 SYCAGOVRXSJPAT-LSFURLLWSA-N 368.462 5.313 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1cccc(Cl)c1 8278088 OQLCCXZHPLYELP-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 12957979 STQNMPRVUKVVFA-ZBKNUEDVSA-N 371.651 5.178 30 40 FKEB CCCCCCCCCCCCCCCCS(=O)(=O)c1nc[nH]n1 97965959 WFKLXJMQAWFMJR-UHFFFAOYSA-N 357.564 5.060 30 40 FKEB C=CCOc1ccccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 210200967 ZRQJXRVOVROMIM-SFQUDFHCSA-N 371.845 5.146 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cccs3)cc1)N2 408934724 FWTYOXVLFQCOAK-PHGUOVJZSA-N 370.521 6.634 30 40 FKEB Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)c1 409208344 FIHJLNSTTWJGSE-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5029159 HVECIOWVJFWABA-ABOMCFJFSA-N 372.425 5.230 30 40 FKEB CCSc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 5241517 DNGGPUNXAWIOOO-UHFFFAOYSA-N 365.483 5.046 30 40 FKEB CCCCN(CCCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2 20827353 DMZXIYGUJVMDQC-UHFFFAOYSA-N 357.542 5.335 30 40 FKEB Cc1ccc2nc(N/N=C/c3cccc(Cl)c3)nc(-c3ccccc3)c2c1 95116786 SRJYHKCGFFYZGR-ZVHZXABRSA-N 372.859 5.705 30 40 FKEB Cc1c(Cl)cccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471404 GWAYSXYENFGCBZ-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB Cc1cc(/C=N\Nc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1 408843863 AHLILYUSIVNOQQ-OYKKKHCWSA-N 364.876 5.982 30 40 FKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 409209833 HTTLYCMEEQTBTN-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 1424994 BOIWVVPHIIRBNM-SRZZPIQSSA-N 354.793 5.876 30 40 FKEB CN(C)C1(C#CCCCCC#CC2(N(C)C)CCCCC2)CCCCC1 2268318 VXBMIVRHUCWJEW-UHFFFAOYSA-N 356.598 5.083 30 40 FKEB CCCC(CCC)=Nn1c(-c2ccco2)cs/c1=N\c1ccc(C)cc1 6425028 UXRQRPAANLZMTM-DQRAZIAOSA-N 367.518 6.155 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 6971392 CNSFUHBZXUCWMC-BXWFABGCSA-N 370.374 5.434 30 40 FKEB O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)Sc2ccccc21 15230445 BPFPYSNNJCEBLS-WOJGMQOQSA-N 372.367 6.295 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 408589087 YMFJJIFJZFLWRV-UHFFFAOYSA-N 373.924 6.640 30 40 FKEB CC(/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)=C\c1ccccc1 409208316 AOJPWNQZPCUTAN-OWBMZXSDSA-N 362.542 6.577 30 40 FKEB C=CCc1cc(/C=C2\Sc3ccccc3C2=O)cc(OCC)c1OC 409337238 XKZGWRVZFCBJHT-UYRXBGFRSA-N 352.455 5.152 30 40 FKEB Cc1ccc(C(=O)/C=C\C2=C[C@H]([C@H]3CCCCCN3)c3ccccc32)cc1 575626844 AESHSURTBODTEF-ZXVSTTAWSA-N 357.497 5.447 30 40 FKEB N#Cc1ccc(Oc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 1247760 HUBKSIWBCKJAQC-UHFFFAOYSA-N 357.800 5.614 30 40 FKEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)c1nnc(-c2ccccc2)o1 5281138 AUOCUIPGCRGTSP-MRXNPFEDSA-N 367.408 5.415 30 40 FKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1O 6202684 MJBLLNFRLSXZHD-CVKSISIWSA-N 359.513 6.227 30 40 FKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Cl)cc1 6961284 OAAZBFZLGAUZJG-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc(F)c1 6961467 HHLGFKDCENAGLJ-MFKUBSTISA-N 363.432 5.862 30 40 FKEB CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 6963864 YHMUMNYADOPYEO-VXLYETTFSA-N 352.659 5.560 30 40 FKEB Clc1cccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1Cl 8813847 MKSKIIJTDVTUKI-UFFVCSGVSA-N 371.227 5.576 30 40 FKEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1ccccc1 9553418 PINZIMYMYRSXMD-LPYMAVHISA-N 350.805 5.049 30 40 FKEB CCCCC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 13468180 BIMIEBMZQZLFKK-ITMQSYJTSA-N 350.506 5.831 30 40 FKEB CC[C@H](C)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820349 RNCYQLHZDQRSRY-ZDUSSCGKSA-N 354.523 5.245 30 40 FKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@@H]12 36614414 NNZFUMSSDBUFQN-MAELDEJCSA-N 372.508 5.814 30 40 FKEB C(=N\c1ccccc1-c1ccccc1/N=C\c1ccccc1)\c1ccccc1 104190076 VPKMOHKPMZAAAJ-RSSRHXQMSA-N 360.460 6.855 30 40 FKEB C[C@H]1C[C@@H](C(O)=Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CCO1 330027328 MXWHJXSMPINSHG-RYUDHWBXSA-N 365.260 5.459 30 40 FKEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cscc2C(F)(F)F)cc1 598823668 JVMVMSUQQAHGMZ-OAHLLOKOSA-N 366.408 5.059 30 40 FKEB Cc1cc2ccccc2n1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 14670975 WYIHPTXPCDROLF-UHFFFAOYSA-N 366.420 5.094 30 40 FKEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(-c2ccccc2)cc1 408742749 YBWXWODYWCSCKO-OLCUMFGGSA-N 353.425 5.095 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C)cc1 408906630 CNQXQLZPHJJBCM-NFYBBCHUSA-N 350.487 5.352 30 40 FKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 2070056 UNEROCQAAHNEMM-FSJBWODESA-N 366.873 6.163 30 40 FKEB COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)c2ccccc12 2821079 BQYXBNMNDOWNAD-KOEQRZSOSA-N 353.421 6.391 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1cccc(C)c1C 254594564 SAOZNPUQMHBSFS-UHFFFAOYSA-N 350.487 5.260 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1cccc(Br)c1 409064241 OOYXXUMSOSFVNR-FYJGNVAPSA-N 368.278 5.303 30 40 FKEB C(#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccccc1 3101833 ZFFOJMDSSUAUAX-UHFFFAOYSA-N 373.499 6.293 30 40 FKEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1-n1cccc1 4053013 DAZHAEZJTYNJLI-UHFFFAOYSA-N 369.449 5.385 30 40 FKEB C=CCOC(CN(CCCC)CCCC)CN(CCCC)CCCC 4933871 LCZGJMOYEFZGJO-UHFFFAOYSA-N 354.623 5.362 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc4ccccc4c3)c2C)cc1 5330939 IOEOVFQYAZNLQI-PCLIKHOPSA-N 353.469 6.002 30 40 FKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1 9196411 ZOQBDIJAKCFYAB-FSJBWODESA-N 372.299 5.525 30 40 FKEB O=C1C[C@H](c2ccccc2)S[C@@H](c2ccccc2)/C1=C/c1ccccc1 28617237 APOLUKMMVZLGCM-KBKNDNMYSA-N 356.490 6.259 30 40 FKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OCc1ccc(-c3ccccc3C#N)cc1)C2 38534227 FSGZSJNDTGFWGB-JWFDGWGJSA-N 358.485 5.944 30 40 FKEB CCCCCCCCNCCCCCCCCNCCCCCCCC 95740356 OBOBSJHJTURCBV-UHFFFAOYSA-N 368.694 7.227 30 40 FKEB CCCCCCCCn1c(-c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 100933927 DXBLGTHJSZTSSR-UHFFFAOYSA-N 367.449 5.678 30 40 FKEB O=C1C2=C(C(=O)c3c(-c4ccccc4)ccc(-c4ccccc4)c31)[C@@H]1C=C[C@@H]2C1 101050017 PASJPZRHGDKXPY-RTBURBONSA-N 374.439 5.902 30 40 FKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408915633 QIMCAORFOYUJRW-DYEBMTOPSA-N 364.514 5.563 30 40 FKEB CCCCc1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 409374890 AZZYBYLXMVLPJN-DTVDJLOLSA-N 373.924 6.619 30 40 FKEB N#CC[C@](C#N)(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 1385681 ZAJAIVOEGNDCBC-HNNXBMFYSA-N 370.161 5.131 30 40 FKEB O=C1C2=C(c3ccccc31)c1c(ccc3ccccc13)N[C@H]2c1ccccc1 3470879 JUWBBGYVSGBZKQ-VWLOTQADSA-N 359.428 6.005 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 8570829 CEZACBFLALRYJS-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB COc1ccc(/C=C2/C(=O)/C(=C/c3ccc(OC)cc3)c3ccccc32)cc1 34878846 XBDKUJGJPSOJLC-DFEHQXHXSA-N 368.432 5.368 30 40 FKEB O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 44842455 SGHKEHPBXONLLH-OUKQBFOZSA-N 359.381 5.016 30 40 FKEB CCCCCCCCCCNCCC(S)(S)c1ccc(Cl)cc1 95811611 RKMSQJHWHGXADP-UHFFFAOYSA-N 374.059 6.473 30 40 FKEB CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O 100505557 WNHBRBCBIKJQFT-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB c1ccc(N=NC(=NNc2nc3ccccc3s2)c2ccccc2)cc1 254380730 JIMQSJYTNLHEGF-UHFFFAOYSA-N 357.442 5.854 30 40 FKEB Clc1ccc(Sc2ccc(/C=N\c3ccc4ccccc4c3)cc2)cc1 409076158 YUYQEFRNESNLQQ-XYGWBWBKSA-N 373.908 7.395 30 40 FKEB N#Cc1c(/N=C/c2cccc(Cl)c2)oc(-c2ccco2)c1-c1ccco1 409370495 RULOTZLVYVZLKE-FSJBWODESA-N 362.772 6.075 30 40 FKEB CCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@@H](c2ccccc2)CC1=O 721589 BQTMZXFKLODTPZ-HXUWFJFHSA-N 369.464 5.632 30 40 FKEB N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 1512037 XFVPCTSTIUNDIT-UHFFFAOYSA-N 374.252 5.241 30 40 FKEB CC(/C=C1\S/C(=N\c2cccc3ccccc23)NC1=O)=C\c1ccccc1 5551482 ZIGMMQHDJIEAOT-OWOAHEFASA-N 370.477 5.678 30 40 FKEB C/C(=N\Nc1ccc(Cl)cc1)c1ccc2c(c1)Nc1ccccc1S2 6312621 MBGXYJXJPPHCMT-YDZHTSKRSA-N 365.889 6.384 30 40 FKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)N=C2O)cc1OC 6554491 DCUJHCNIYYDPDZ-PDGQHHTCSA-N 368.458 5.134 30 40 FKEB COc1ccccc1NC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 8490699 XVMDIZMAZKSMDJ-UHFFFAOYSA-N 366.465 5.134 30 40 FKEB N#Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 11994135 KNBAGUYPPFNABQ-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB CCCCC[C@H](C[N+](C)(C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17021113 SXOVUBFTUPYCEW-UILAEWCASA-N 357.345 5.478 30 40 FKEB CCCCCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O 73330612 UXSXORUDTPCRAY-UHFFFAOYSA-N 362.510 5.941 30 40 FKEB FC(F)(F)c1ccc(N/N=C\c2ccccc2Sc2ccccc2)nc1 409088391 LKKLEONIVXWVDN-MSXFZWOLSA-N 373.403 5.698 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(=O)C[C@H]2c1ccsc1 1079914 BKIIKGSHNKRIDK-INIZCTEOSA-N 369.461 5.051 30 40 FKEB N#Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 6220098 QDDXEJRXGYJZDB-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1O 8109260 BQXPJUGPTGXGSW-LPYMAVHISA-N 353.805 5.597 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 8371942 ORYAWAAFCQYFHB-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)OC(C)=O 12653485 FCPHMAOZUSIKSS-WIXOJZBCSA-N 374.609 7.244 30 40 FKEB biogenic O=C(/C=C/c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 71977089 DHUNPZIADSECGI-FPYGCLRLSA-N 356.046 5.652 30 40 FKEB COc1ccc(-c2csc(N/N=C3/C[C@@]4(C)CC[C@H]3C4(C)C)n2)cc1 103663341 OHQOTSWIQKHXGB-CWOKUMIGSA-N 355.507 5.433 30 40 FKEB CCCCCCCCCCCCCCCCCN1CCS(=O)(=O)CC1 104188584 MWXXBRZANUXFBM-UHFFFAOYSA-N 373.647 5.588 30 40 FKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(Sc2ccccc2)o1 408931403 LEOKEYJKIBCTJA-CJLVFECKSA-N 364.470 5.018 30 40 FKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c1C 409202711 UFIWAKJSPKQWNC-DHRITJCHSA-N 367.851 6.426 30 40 FKEB Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O 4713969 IQSRDZJHZKKRHE-WSDLNYQXSA-N 360.438 5.434 30 40 FKEB CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 5188586 XQSDHWVDSCIDNP-IQMFZBJNSA-N 364.464 5.684 30 40 FKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OC 6880618 FEMFWNZYZOXBPS-UDWIEESQSA-N 362.267 5.306 30 40 FKEB CCCCCCCCCCSCC(=O)Nc1ccc(OCC)cc1 98023184 BXOLNYJKINBPGT-UHFFFAOYSA-N 351.556 5.898 30 40 FKEB COc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 103848554 VTIHKTGNZZRSEY-BUHFOSPRSA-N 363.844 5.824 30 40 FKEB Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1 225856591 XJYIRHZMCFZCFZ-UHFFFAOYSA-N 370.283 5.196 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](/C(C)=N/O)CC[C@H]32)C1 253497814 DGKAJFBWCOTIQA-RZARHHGYSA-N 373.537 5.347 30 40 FKEB C=C(C)COc1ccc2c(=O)c(Oc3ccccc3OCC)c(C)oc2c1 2099209 QNUAQCYHKGSWRC-UHFFFAOYSA-N 366.413 5.247 30 40 FKEB biogenic CCOc1ccc(/N=C2\CSc3sc(=S)sc3S2)cc1 5465272 WDOHNZLUEWUTEC-GXDHUFHOSA-N 357.572 5.866 30 40 FKEB CCOc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1 6758773 MXCFOYREVNGOOE-UFWORHAWSA-N 359.640 5.197 30 40 FKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 6962630 AGDVAJCHSPJPCB-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB CC(C)Oc1ccc(/C=N/NCc2ccccc2Cl)c(OC(C)C)c1 8811520 WFKJDROOYFRPJR-YDZHTSKRSA-N 360.885 5.038 30 40 FKEB CCCCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 8844508 XVJSOQMZGGARJZ-UHFFFAOYSA-N 371.824 5.251 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)c(Br)c1)c1ccc(Cl)cc1 13896393 ZCEKAQHUPXODQW-BQYQJAHWSA-N 371.061 5.564 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182688 JQCASQXEZMQFFV-JJFYIABZSA-N 359.425 5.232 30 40 FKEB C=CCc1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1OC 216460545 AAJATOXDAMSVSO-XMMPIXPASA-N 371.480 5.252 30 40 FKEB CC/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)N1CC 408929861 PAHPGXABVOHKSQ-WZOFUNJYSA-N 374.893 5.221 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)cc1 409186912 JLDNIDWQBUIYJZ-ONUIUJJFSA-N 368.480 6.397 30 40 FKEB COc1cc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O 1093439 BUKSWCNDDUNPLJ-DHRITJCHSA-N 372.468 5.288 30 40 FKEB Cc1sc(NC(=O)CCSc2ccc(Cl)cc2)c(C#N)c1C 4570350 COWWLPLCIHQVKV-UHFFFAOYSA-N 350.896 5.011 30 40 FKEB CCN(CC)c1ccc(/C=C\C(=O)c2ccc(N(CC)CC)cc2)cc1 5012002 FJLAFBORFDOARE-WQRHYEAKSA-N 350.506 5.275 30 40 FKEB N#C[C@H]1CCCC[C@H]1[C@]1(C#N)CCCC[C@H]1Cc1nccc2ccccc12 5373783 XJWAPHCGDAHZIG-ADGBJGEGSA-N 357.501 5.807 30 40 FKEB CCCCCCCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O 8435462 UBJXUDIKVWCKQW-UHFFFAOYSA-N 372.509 5.483 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1cccc(F)c1 13778885 DCSIKCHYTNMFSP-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 32194226 PLHRSFVRMDPWFE-SLHUAAHYSA-N 355.441 6.609 30 40 FKEB CCCCCCCC[C@H](CCCCCCCCCCC(=O)O)C(=O)O 71418183 KGDFFRUWAGMXRB-LJQANCHMSA-N 356.547 6.423 30 40 FKEB biogenic,in-vitro O=C(/C=C(/C=C/c1ccccc1)c1ccccc1)CC(=O)c1ccccc1 104253925 CIHNUILUZTVQRS-AJIOFTKLSA-N 352.433 5.626 30 40 FKEB Sc1nnc(C2CCCCC2)n1N=Cc1ccc(-c2ccccc2)cc1 252394560 RZQLHDTZBLJPKZ-UHFFFAOYSA-N 362.502 5.164 30 40 FKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1Br 408625777 ZFJIGXRKCTXVTN-PKNBQFBNSA-N 367.242 5.914 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409086080 UQWMQRKNYCXJBK-CVKSISIWSA-N 373.496 5.813 30 40 FKEB O/N=C1\CCC=CCCC=CCC[C@H]1Sc1nc2ccccc2s1 1559624539 IBUGLWPXDXTUKZ-BNBARRKWSA-N 358.532 6.054 30 40 FKEB Oc1ccccc1/C=N/c1nc2ccccc2n1Cc1ccc(Cl)cc1 999173 ZGQPWHPMZNDBER-YDZHTSKRSA-N 361.832 5.194 30 40 FKEB CSc1nc2ccc(/N=C/c3ccc(OC(F)F)cc3)cc2s1 3221600 ZYKIVMWWSVJPIV-DJKKODMXSA-N 350.415 5.370 30 40 FKEB C[C@@H](Nc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2)c1ccccc1 5454246 IOIQCDIOYPYNIE-MRXNPFEDSA-N 366.468 5.411 30 40 FKEB CCCCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 15859781 AJOHRCDPOPEUMI-UHFFFAOYSA-N 354.523 5.247 30 40 FKEB CC(C)c1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 98086879 WATQNFBKBBPDEU-ZVHZXABRSA-N 356.425 6.074 30 40 FKEB COc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O 98086887 PEUZMVRFAXMCDP-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB CCCCCCCCCCC(CCCCCCCCCC)C1CCCC1 104141713 LEQBWYDHNLNMED-UHFFFAOYSA-N 364.702 9.854 30 40 FKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1Cl 408911832 DQPLAMBGSMPNDW-UHFFFAOYSA-N 361.828 5.210 30 40 FKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3C)c3ccccc32)o1 409392412 MICQLZGFXYCIJW-CFRMEGHHSA-N 372.424 5.128 30 40 FKEB COCc1cc(C)nc(SCc2ccc(Cl)cc2Cl)c1C#N 843048 HLIQVEVRUAKVDY-UHFFFAOYSA-N 353.274 5.007 30 40 FKEB COc1ccc(-c2csc(N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)n2)cc1 4176378 FKCHKTAROZJYOA-ACBFHYCZSA-N 355.507 5.433 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 5781969 DVYPPCYDXKABPW-UHFFFAOYSA-N 368.219 5.751 30 40 FKEB Cc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 8811324 YIZNLPZFAPNFLG-ZVHZXABRSA-N 364.876 5.351 30 40 FKEB CCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 100297759 IZUINEIOLHLHIT-WOJBJXKFSA-N 368.558 5.567 30 40 FKEB Oc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 100544991 CIRVTSUWOUJUPP-PCLIKHOPSA-N 353.421 5.875 30 40 FKEB CCCCCCCC[N+](C)(C)CC#CC[N+](C)(C)CCCCCCCC 104207013 JUNIFXPXHJHWGB-UHFFFAOYSA-N 366.678 5.864 30 40 FKEB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760286 YFSJVAMGKSXJSZ-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408586958 DGNGXKUAILBLMX-BHGWPJFGSA-N 365.864 5.888 30 40 FKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(N(C)C)cc1 408739735 FCHRBEMFIJIMEZ-YZSQISJMSA-N 367.496 6.064 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cc([N+](=O)[O-])ccc3O)c2C)cc1 408755833 PMJOKLYXFJZBRM-LPYMAVHISA-N 363.417 5.021 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Br)cc1 408847812 SGGGAJFWVXUEJM-CIAFOILYSA-N 373.681 5.952 30 40 FKEB C=CCO[C@H]1CC2(CCN(CC3CCCCC3)CC2)c2ccc(C)cc21 2055738645 GQGQLIZNGLTJLI-QHCPKHFHSA-N 353.550 5.556 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccccc1Br 2061861 XLTXEHYYNKNFDO-UHFFFAOYSA-N 354.332 6.309 30 40 FKEB C/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1cc2ccccc2o1 5416806 MPUQOJXISCAXTB-CIAFOILYSA-N 357.866 5.105 30 40 FKEB C/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1OC(F)F 5784159 FJBDOUSPVYRMLP-WSDLNYQXSA-N 371.343 5.186 30 40 FKEB FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 6843844 CDAVUOSPHHTNBU-UHFFFAOYSA-N 350.049 5.168 30 40 FKEB in-vitro Cc1cccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)c1 10118935 YDIGEIJCQRTDOY-ZVHZXABRSA-N 351.881 5.180 30 40 FKEB Cc1cccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C23CCCC3)c1 13302836 XKDGCKJZJJVZAQ-UHFFFAOYSA-N 363.530 5.349 30 40 FKEB CCN(CC)c1ccc(/C=N/Nc2c3c(nc4ccccc24)CCCC3)cc1 17127114 MAMNLUNRTKTHHZ-KOEQRZSOSA-N 372.516 5.406 30 40 FKEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1 225888481 SGAIIVUCCCENEX-UHFFFAOYSA-N 353.878 5.103 30 40 FKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1ccccc1O 254555899 QQLHBEPCNPQWPR-UHFFFAOYSA-N 362.816 5.913 30 40 FKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408849947 BLHQXXLKFVNSOI-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408942140 XSNCRETUGNMNQN-KHGAEZDMSA-N 364.492 6.572 30 40 FKEB COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 939538 WFRLBCZRESHEIY-LFVJCYFKSA-N 353.425 5.299 30 40 FKEB C/C(=N/Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 4175803 SIEUFRALAPBKDI-NDENLUEZSA-N 372.291 5.409 30 40 FKEB COc1ccc(/C=N/c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 32616769 CUCGJAXCPJEXMS-MFKUBSTISA-N 372.855 6.314 30 40 FKEB Cc1ccc(C(=O)O)cc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408942319 XIGBTLODACFVCA-MSXFZWOLSA-N 372.346 5.253 30 40 FKEB CCCCCCCCNC(=S)Nc1cc2cccnc2c2cccnc12 408974642 FVSARNXLFCOVSZ-UHFFFAOYSA-N 366.534 5.430 30 40 FKEB Oc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(O)cc4)cccc23)cc1 1087102 DNKLHOMVPPUPID-RYQLWAFASA-N 366.420 5.752 30 40 FKEB Cc1cc(C#N)c(C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 2638338 OIBHONGRSRGDBC-UHFFFAOYSA-N 369.251 5.504 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1 4279310 RSIQCXKSHOBKNQ-UHFFFAOYSA-N 353.406 5.068 30 40 FKEB COc1ccc(/C=N/Nc2ccc(C)cc2C)cc1OCc1ccccc1 4924503 FDABUTWIHPPGAG-BUVRLJJBSA-N 360.457 5.337 30 40 FKEB Cc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)c(C)n1-c1ccccc1 5578280 ACOYRVOCJVJYFK-OEAKJJBVSA-N 372.497 5.664 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 8570848 UJICIVRSUNEJAR-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 12766770 CVEFPMFUEBIPQG-NYYWCZLTSA-N 365.429 5.409 30 40 FKEB CCCCCCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 98045196 KSYPNNGQGPJCHT-GOSISDBHSA-N 360.542 5.251 30 40 FKEB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932837 CREVIXFSUWYGRJ-AOEZPDJKSA-N 370.533 5.411 30 40 FKEB biogenic CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N/c1ccc(F)cc1 409230470 DRZRIVJCWYWINC-TZIVZOBOSA-N 368.477 5.573 30 40 FKEB N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCCC2 1932423 NVFZFCBCDKFOKV-UHFFFAOYSA-N 358.466 5.418 30 40 FKEB CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4950049 VIJNYENVESJRHQ-UHFFFAOYSA-N 371.292 6.316 30 40 FKEB CCCC/N=C1\S/C(=C\c2cccc3ccccc23)C(=O)N1CCCC 6634917 QNRFREYFAHSLQZ-GAADFGEESA-N 366.530 5.712 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCC 79930598 FIENEGBWDWHXGG-YPKPFQOOSA-N 366.630 8.147 30 40 FKEB CC(C)(C)/N=C1/CC(C)(C)c2ccccc2/C(=N/c2ccccc2)S1 104294340 RSNMJUIJZLBDNQ-IMTZVKBRSA-N 350.531 6.376 30 40 FKEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1cccc2ccccc12 225881455 JYCWBMHDVSEPCG-UHFFFAOYSA-N 373.843 5.589 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc3ccccc3c2)c1C 408961025 PWBKEAOJPPVACE-PKAZHMFMSA-N 366.508 6.869 30 40 FKEB CCc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409079173 KXIXNJHIRVYTHW-WGOQTCKBSA-N 359.513 6.173 30 40 FKEB Cc1cc2nc(-c3ccc(SCc4ccccc4C#N)nc3)[nH]c2cc1C 1329786 GJBUWOBBKMDOGW-UHFFFAOYSA-N 370.481 5.406 30 40 FKEB aggregator Cc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 1389133 JWDZUXYAKHYJBP-QHCPKHFHSA-N 360.501 5.834 30 40 FKEB COc1ccc(-c2ccc(C(=O)/C=C/c3ccc(N(C)C)cc3)s2)cc1 5333931 VZYGLRKSKAOXGE-AWNIVKPZSA-N 363.482 5.386 30 40 FKEB CC(C)(C)c1ccc(/C=C2/C(=O)c3ccccc3N2Cc2ccccc2)cc1 35677984 YRUWCQOOCVKOBP-ULJHMMPZSA-N 367.492 6.228 30 40 FKEB C#CC[N+](C)(C)CCNC(=O)CCCCCCCCCCCCCCC 104119593 ZSJJFOQLVGQNLB-UHFFFAOYSA-O 365.626 5.294 30 40 FKEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc2ncccc2c1 408965152 HBNRARBBYWECLM-MXAYSNPKSA-N 369.424 5.122 30 40 FKEB Oc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 408976934 HCPLYMJDKSAFPI-OEAKJJBVSA-N 362.498 6.314 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1Cl 409009267 CPYRPMDCSUHVGN-GZPJKGAFSA-N 363.888 6.935 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(C(=O)O)cc3)c2C#N)C1 409085418 ZGYNWLLYNHGQSF-GIEPYWIESA-N 366.486 5.220 30 40 FKEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 1050880 KPABHBXUSARNKJ-DHLKQENFSA-N 359.513 5.598 30 40 FKEB C=CCc1cc(C=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1177028 AEPMTPFDECQSGD-UHFFFAOYSA-N 351.229 5.122 30 40 FKEB CCCCCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1 2066119 GGLFOMODJKNIMA-UHFFFAOYSA-N 352.518 7.125 30 40 FKEB C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 5649215 CHUJQBLSFCGWLS-BMRADRMJSA-N 362.856 6.205 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@H]1CCC[C@H](C)[C@H]1C 6084229 HBJNHROHBMWODL-QEORTHHSSA-N 362.926 5.238 30 40 FKEB Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 20736262 WYOPRJGCNBLOIK-DNVCBOLYSA-N 362.454 5.003 30 40 FKEB C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O 31166051 AAPGEKMDLXBUBL-GKYSZPLNSA-N 364.526 5.219 30 40 FKEB biogenic,in-vitro Cc1cccc(Cc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1 225857126 LLGGXHIPXXBXHZ-UHFFFAOYSA-N 351.453 5.043 30 40 FKEB Cc1cc(/C=N\Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 408999223 UAJUJMUWXJLPHP-CFRMEGHHSA-N 357.379 5.559 30 40 FKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1 409096086 JOYNUAWTNMJXBI-CIAFOILYSA-N 368.776 5.497 30 40 FKEB CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3Cl)on2)c1C#N 815188 IKVOWGSKYOJKJS-UHFFFAOYSA-N 371.849 5.051 30 40 FKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccc(OC)c1 2447588 DMZWRARGEDCWGW-UHFFFAOYSA-N 371.893 5.085 30 40 FKEB CCC(=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 4217695 JGZZOTUMEGZYFB-UXPCPDBYSA-N 358.522 5.086 30 40 FKEB biogenic,in-vitro CCOc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1OC 4276464 IKIZVNRWFCGMSP-VMPITWQZSA-N 354.377 5.184 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OC 8367820 YECJCNDZBFDIIN-CIAFOILYSA-N 374.278 5.390 30 40 FKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 13777811 PBLJLZDBCOXCSI-BKUYFWCQSA-N 374.461 5.895 30 40 FKEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223527138 DKCYNXNBPBRJNN-WXUSHSQQSA-N 366.465 5.153 30 40 FKEB COc1cccc2c(/C=N\c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]c12 408848548 XEFNRRBRVLOXDE-MYYYXRDXSA-N 354.453 6.211 30 40 FKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccccc3CC)c2C)c1 408964187 BRIDEQVNQJRZJJ-XYGWBWBKSA-N 374.484 5.584 30 40 FKEB CCCCCCCn1c(NCc2cc(Cl)ccc2O)nc2ccccc21 1740890 VQFAFLBKRIRGCA-UHFFFAOYSA-N 371.912 5.978 30 40 FKEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccc(C)cc1 13125959 KWZMZBPMHJSKNY-CRUFNBOHSA-N 361.470 5.100 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br 18066810 RJDUYHJBVARSFX-YBFXNURJSA-N 355.191 5.261 30 40 FKEB C=C[C@@H](O)c1ccc2ccccc2c1-c1c([C@H](O)C=C)ccc2ccccc12 34808714 OXTCAIAYEXTSKB-DNQXCXABSA-N 366.460 6.099 30 40 FKEB CCCCCCCCCCCCCCCCCCc1ccc(O)cc1O 100307956 LWWXYKKZEDHOSM-UHFFFAOYSA-N 362.598 7.902 30 40 FKEB CCOc1cccc(/C=N\c2ccc(O)c(-c3nc4ccccc4o3)c2)c1O 100505551 LECADABKWRDUAC-QRVIBDJDSA-N 374.396 5.055 30 40 FKEB C=CCN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc13)O2 2252021 NIJQTHFLABJBOY-RUZDIDTESA-N 353.465 5.926 30 40 FKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 3066522 HNSQKMGGTFVDQV-MFKUBSTISA-N 370.452 6.249 30 40 FKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 3102930 VPMIBOWURVJXMK-MFKUBSTISA-N 370.452 6.249 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 7739534 ZGAWGQWPDOEWAC-VQHVLOKHSA-N 354.203 5.000 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)C3(c4ccccc4)CCCC3)c2C#N)C1 30822871 PXMNTLHPVSEXIW-OAHLLOKOSA-N 364.514 5.195 30 40 FKEB C(=N\Nc1nc2c(s1)CCCC2)\c1cccc(OCc2ccccc2)c1 31854635 JNXSYROVQASOBW-HMAPJEAMSA-N 363.486 5.047 30 40 FKEB CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@@H](C[C@H](C)SCC)C1 100858579 UNYHPEBIVPSHTA-IRXDYDNUSA-N 367.599 5.290 30 40 FKEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225846775 UJTMBXCQJCOCAS-HRAATJIYSA-N 360.498 5.050 30 40 FKEB O=C1/C(=C/c2ccccc2)CC[C@@H]1C[C@H]1CCC[C@@H](C2=CCCCC2)C1=O 252694072 HWZZEAVSPCVWGA-PAMVQMSOSA-N 362.513 5.925 30 40 FKEB biogenic Cc1ccc(C#CC(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 2960075 BRMFPZBZAUPAFE-UHFFFAOYSA-N 366.460 5.509 30 40 FKEB N#C[C@H](c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 13957973 BQDVOCMNUGYZHR-DHIUTWEWSA-N 371.871 5.756 30 40 FKEB CCCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 50860142 CRNKFGLQJXPDQS-UHFFFAOYSA-N 364.533 6.756 30 40 FKEB Clc1ccc(COc2cccc(/C=N/Nc3ccccc3)c2)c(Cl)c1 58822853 VYJRMESNGJQALO-YDZHTSKRSA-N 371.267 6.018 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 198092600 QKGMKPMQYVIWOG-MFKUBSTISA-N 374.484 5.840 30 40 FKEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCC2 2095363 IWVVRIRGYLNHPD-SFHVURJKSA-N 368.502 5.075 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(O)cc1 4235629 SEEDEOGIVYSPFL-QFIPXVFZSA-N 369.464 5.746 30 40 FKEB biogenic Cc1ccc(Sc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1 23410818 NZKLATTXLNDNKL-XDHOZWIPSA-N 353.403 5.093 30 40 FKEB Cc1cc(/C=N\c2cccc3cccnc23)c(C)n1-c1cccc([N+](=O)[O-])c1 59427199 JJIBQYZMQDXWIV-OYKKKHCWSA-N 370.412 5.301 30 40 FKEB CCCCCCCCOCCNC(=O)Nc1cc(F)c(F)cc1Cl 100285067 YZGJAIKSVWZTOD-UHFFFAOYSA-N 362.848 5.117 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)cc1 408769717 ZZRVBGZJSGJEGJ-PCLIKHOPSA-N 374.484 5.584 30 40 FKEB CCCCOc1ccc(/N=C/C=N/c2ccc(OCCCC)cc2)cc1 2182727 MSJYPRMNCZUDFI-DFEHQXHXSA-N 352.478 6.149 30 40 FKEB Cc1ccccc1/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O 4557814 FDQGAJVUVKBHDE-OVFURWPXSA-N 365.436 7.020 30 40 FKEB CCC1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 4892737 QBBXWGXXNFIASD-YJKAXRSRSA-N 362.469 5.560 30 40 FKEB biogenic,in-vitro C#CCOc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1OC 5526663 GPBAIRIQUSQBLC-BUVRLJJBSA-N 355.393 5.357 30 40 FKEB C=CCN1C(=O)/C(=N\N=C2CCCCCCCCCCC2)c2ccccc21 6185896 PGMFBJRSJRNHAA-LVWGJNHUSA-N 365.521 5.669 30 40 FKEB Cc1ccccc1/N=C/c1ccccc1OCc1cccc2ccccc12 8570933 QXWRGPMIATVZSR-YZSQISJMSA-N 351.449 6.478 30 40 FKEB O/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1Cc1ccccc1 33906251 ODMJIIJUJAYBCI-KPVRTWQTSA-N 356.469 5.151 30 40 FKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(CCC)cc2)cc1 68569031 QTEWLKIMDWMWGM-YYADALCUSA-N 365.561 7.519 30 40 FKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@H]1CCCN1 104268337 TUHZITOMTKDVLJ-JOCHJYFZSA-N 367.618 6.543 30 40 FKEB C=CCOc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 408736218 MCNCHKYGUJXQCE-QEEYODRMSA-N 372.295 6.385 30 40 FKEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1 409119362 WJZZKVJTKSEESY-HMAPJEAMSA-N 362.454 6.113 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2)cc1OC 409388131 UHQAGLOXANWPBC-WLQYJRLHSA-N 352.261 5.930 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC3CCCCC3)c2C#N)C1 2752715 STKWMVUFKJQTTO-MRXNPFEDSA-N 372.578 6.070 30 40 FKEB COc1ccc(/C=N/OCc2ccc(C)cc2)cc1OCc1ccccc1 3341043 CWWFUXUEOFNHNB-BUVRLJJBSA-N 361.441 5.133 30 40 FKEB CCCCCCCCCCCCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 104172371 LGGLZSKITXBWKZ-UXHICEINSA-N 352.559 6.092 30 40 FKEB CCCCCCCCCCCCCCCC[C@H](O)CS(=O)(=O)O 104376935 JGBQXHDZRBVCEJ-SFHVURJKSA-N 350.565 5.107 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1 225495262 YPZMXMKZBHOQLI-HXUWFJFHSA-N 354.519 5.325 30 40 FKEB N#Cc1ccccc1Cn1cc(/C=N/Nc2ccccc2)c2ccccc21 408819366 ROUVPTPJOVPEOU-MFKUBSTISA-N 350.425 5.007 30 40 FKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccccn1 409234405 ZVAGYXPLJNUBJD-CIAFOILYSA-N 354.251 5.002 30 40 FKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 826379 RXIPVBBAWWSCJB-OEAKJJBVSA-N 357.413 5.017 30 40 FKEB Cn1nc(-c2ccccc2)c(C#N)c1Sc1cccc(C(F)(F)F)c1 1387618 BEPYJVLMEOQVRH-UHFFFAOYSA-N 359.376 5.129 30 40 FKEB Cc1ccc(C2=C(Cl)C(=O)C(c3ccc(C)cc3)=C(Cl)C2=O)cc1 1711015 KKRDPDNFDFDTRJ-UHFFFAOYSA-N 357.236 5.055 30 40 FKEB in-vitro CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2F)n1 8993061 LTAKTZNJLNLMLB-UHFFFAOYSA-N 368.399 5.701 30 40 FKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccccc1F 16672841 XUZTWLXIMCALFG-JYRVWZFOSA-N 367.232 5.024 30 40 FKEB COc1ccc(C(=O)/C=C\c2c3ccccc3cc3ccccc23)c(OC)c1 33374028 YTDPBEBARFKJBX-YPKPFQOOSA-N 368.432 5.906 30 40 FKEB O=C(/C=C/c1cc(Br)ccc1O)c1ccc(Cl)c(Cl)c1 51330039 RDZORIRJZATANU-GORDUTHDSA-N 372.045 5.358 30 40 FKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 59522318 KUYXULCVBXDVHA-OAHLLOKOSA-N 373.518 5.425 30 40 FKEB CCN1c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2C(C)=CC1(C)C 113819041 DRLZQGFXSNZTHH-UHFFFAOYSA-N 357.453 5.171 30 40 FKEB C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1Cl 408610096 NPZINLCCBAJGDY-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 408954357 SPGQHHIBOUPMHF-HKOYGPOVSA-N 360.505 5.140 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccccc1Br 409236180 DTHVGTKKWORNDD-STZFKDTASA-N 373.294 5.199 30 40 FKEB Oc1cc2ccccc2cc1/C=N/c1ccc2nn(-c3ccccc3)nc2c1 973093 USEHMQMRKMJZHY-BUVRLJJBSA-N 364.408 5.030 30 40 FKEB O=C(/C=C/Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 4363620 YWFOYXAGYKTVOG-BQYQJAHWSA-N 371.061 5.564 30 40 FKEB CCCOc1c(Br)cc(/C=N/c2ccccc2)cc1OCC 6880644 GZICWVMUIXMBDY-DEDYPNTBSA-N 362.267 5.387 30 40 FKEB C#CCOc1ccc(Br)cc1CNc1cc(Cl)ccc1C 41640591 TUVSTCZBEQGGIY-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2cccc(F)c2)CCC1 58612473 ZCEVAKLQOQNPMD-UHFFFAOYSA-N 363.885 5.177 30 40 FKEB N#CCCSc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 95953446 SOIJNBAPAXYEDR-UHFFFAOYSA-N 365.285 5.180 30 40 FKEB CCCCCCOc1ccc(/C=N\c2ccc(C(=O)OCC)cc2)cc1 100172424 NCUKICSZOYPWEA-QJOMJCCJSA-N 353.462 5.573 30 40 FKEB CCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530688 UJBMLXPZRNDSFN-ZHACJKMWSA-N 372.315 7.152 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OC 408607358 LFSGVKKKVPKERB-UHFFFAOYSA-N 372.679 5.832 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 409239288 CXFNXSUIGZFMHT-XKZIYDEJSA-N 363.288 5.743 30 40 FKEB Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3)oc2c1 704669 JNWOYMXOCBCKPI-FSJBWODESA-N 362.816 5.913 30 40 FKEB Cc1ccc(CSc2nc(Cl)c(C#N)c(-c3ccccc3)n2)cc1 1383191 HJNUTEBOFZXLSU-UHFFFAOYSA-N 351.862 5.269 30 40 FKEB N#CC1(c2ccccc2)[C@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 1678887 HUFNWVLCSKBRCC-ZEQRLZLVSA-N 351.449 5.378 30 40 FKEB CCCCc1c(C)nc2ccc(Br)cc2c1SCCC#N 17353933 DXCDMEQEVRYHCJ-UHFFFAOYSA-N 363.324 5.654 30 40 FKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3C)c(C)c2s1 72228578 WPQQXEIMRMXVJZ-UHFFFAOYSA-N 366.490 5.282 30 40 FKEB CCCCCCCCCCCCNC(=O)c1ccc(Br)cc1 97941899 IAKWRKKBJHVNNR-UHFFFAOYSA-N 368.359 6.100 30 40 FKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)c1 864781 GKTZSXCDEOFTJI-FSJBWODESA-N 362.816 5.913 30 40 FKEB Cc1ccc(-c2n[nH]c(=S)n2/N=C/C(Cl)=C\c2ccccc2)cc1 6199507 LEXIXSRMSXNWOC-LOXJZLIVSA-N 354.866 5.030 30 40 FKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O 8362906 WAQDWHHFMNCCAP-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB COc1ccc(C(=O)C/C(=C\C(=O)c2ccccc2)c2ccccc2)cc1 33384987 GQTYUVSKEJIQOH-LTGZKZEYSA-N 356.421 5.235 30 40 FKEB Clc1ccc(-c2nn(-c3ccccc3)cc2/N=C/c2cccnc2)cc1 59483117 WDVPBFURSZRSEW-ZVHZXABRSA-N 358.832 5.338 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)cc1 100212120 RDHWEFLNNGMVHG-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB CCCCCCCCCN1C(=O)c2cccc3c(NC)ccc(c23)C1=O 100499448 XHICYNNCIZQURK-UHFFFAOYSA-N 352.478 5.228 30 40 FKEB C[Si](C)(C)C#CC(=C\[Si](C)(C)C)/C(=C/c1ccccc1)c1ccccc1 197882122 JZYZJIDYYRXMFS-YOMDHMBNSA-N 374.676 6.912 30 40 FKEB CCCCCCCCc1ccc(N=Cc2ccc(OCCCC)cc2)cc1 256072680 KELVVZFTTYSOQH-UHFFFAOYSA-N 365.561 7.519 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(Cl)c1C 409096111 JUDKRLCKOIJMCG-LPYMAVHISA-N 358.869 5.016 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 3042705 FWFPUMFJJANQDI-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB Cc1nc2ccccc2n1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5635027 OLEWITLZBZXNDN-ZVHZXABRSA-N 363.505 5.528 30 40 FKEB CC(/C=N/n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S)=C\c1ccco1 5828985 KBBZVIYAFVJCHZ-NJHNZTFHSA-N 366.490 5.436 30 40 FKEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(OC)cc2)o1 6581711 AECWODKWWSURTQ-WSDLNYQXSA-N 369.804 5.146 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 8278004 QPNQPTMCHMXPQB-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820604 LPDHEUAYGQADJL-BLLLJJGKSA-N 372.925 5.381 30 40 FKEB COc1cc(C)c(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1C(C)C 33653569 RSYGIKOIMULKAT-COTUQWOHSA-N 372.515 5.001 30 40 FKEB O=C1OC2=C(C(=O)c3ccccc32)[C@@H](c2ccccc2)Sc2ccccc21 59428060 JZYJFJHLSQFGDZ-JOCHJYFZSA-N 370.429 5.298 30 40 FKEB CCCCCCCC/C=C\CCCCCCCCCCCCCCC 62233879 YJTCMKZGFBOKQS-ZPHPHTNESA-N 350.675 9.775 30 40 FKEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O 223539101 WHYBZJKIMWQZPA-HIXWQLQUSA-N 370.518 5.021 30 40 FKEB COc1ccc(/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cn1 223556197 OTIKCIJVFWBTGU-GEWRUKCFSA-N 351.494 5.341 30 40 FKEB CC(C)c1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 408761404 DZCRBKADOMNNEM-DYXWJJEUSA-N 359.429 5.416 30 40 FKEB CC(C)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409016396 SHGPTKGMTKWTPB-HYARGMPZSA-N 367.290 6.114 30 40 FKEB CCCCCCCCOc1ccc(-c2ccc(Br)cc2)cc1 3125937 JZJSOSKVBYYDHQ-UHFFFAOYSA-N 361.323 6.855 30 40 FKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 5180529 LMUUUBFAHFDTKG-UUYOSTAYSA-N 360.409 5.400 30 40 FKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 5841440 GQEDEBZCSIIJPQ-PCLIKHOPSA-N 372.468 5.328 30 40 FKEB Cc1cccc2cc(/C=N/Nc3nc4ccccc4s3)c(Cl)nc12 12595815 HNUJYVVCJXLNLJ-KEBDBYFISA-N 352.850 5.252 30 40 FKEB CSc1nc(NC2CCCC2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820383 JLQUXWDZLDXXIA-UHFFFAOYSA-N 366.534 5.389 30 40 FKEB CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820588 NOVXPRYIJAGHJG-UHFFFAOYSA-N 352.850 5.134 30 40 FKEB CC(C)=NNc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 72229741 CMNLBJRSYRZMNY-UHFFFAOYSA-N 358.854 5.010 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N\c3ccc4ncccc4c3)c2C)c1 100116833 OZXHKTDVEBDUTF-YSMPRRRNSA-N 353.469 6.010 30 40 FKEB CCCCCCCC[Si](C)(C)N[Si](C)(C)CCCCCCCC 195755456 CNNPULJFGORMOI-UHFFFAOYSA-N 357.775 7.707 30 40 FKEB Cc1ccc(Cn2cc(/C=C/C(=O)c3ccc(C)cc3)c3ccccc32)cc1 408692782 VFRGVUPOSZSYOC-FOCLMDBBSA-N 365.476 6.203 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 409186640 FVXPDJKFSUKUTI-WGOQTCKBSA-N 369.468 5.792 30 40 FKEB O=C1C2=C(Nc3ccc4ccccc4c3[C@H]2c2ccncc2)c2ccccc21 1422400 BYENSEHYPUFWIT-OAQYLSRUSA-N 360.416 5.400 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 3029202 HXIKJHGJGDMBGE-OEAKJJBVSA-N 357.413 5.017 30 40 FKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(F)cc1 4345958 DFWGHJHWNRBKEU-UHFFFAOYSA-N 359.857 5.216 30 40 FKEB Fc1ccc(N/C(=N/c2ccccc2)SCc2ccccc2)cc1Cl 6240100 KTUMLOPLMCPHBL-UHFFFAOYSA-N 370.880 6.512 30 40 FKEB Cc1[nH]c2ccc(N/C(=C\C(=O)c3ccccc3)c3ccccc3)cc2c1C 12372055 TWQYFEKZMSEETE-JLPGSUDCSA-N 366.464 6.121 30 40 FKEB CSc1nc(Nc2cccc(F)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820628 WVHLPFMZFAGLPO-UHFFFAOYSA-N 370.840 5.273 30 40 FKEB CCCCCCCOc1ccc(C(=O)O)cc1OCCCCCCC 101004863 TZIZSGVLNGVVNV-UHFFFAOYSA-N 350.499 6.083 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/Nc3ccc4ccccc4n3)c2C)cc1 408764769 YGHBVPUWBHUJJD-PCLIKHOPSA-N 368.484 5.651 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)c1 408967639 RJJHPQRITBPFEN-MYYYXRDXSA-N 374.484 5.638 30 40 FKEB O=C(O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409071582 HJGNEKJQEALBNW-LPYMAVHISA-N 367.857 5.940 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409219653 SVMJCXQJETVBDX-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB C[C@H]1C[C@H]1c1nc(C#N)c(NCc2ccc(Oc3ccc(F)cc3)cc2)o1 1775976586 RZWQSAVYUHONOX-SCLBCKFNSA-N 363.392 5.213 30 40 FKEB Cc1c2ccccc2c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc12 5728511 GMXPBZHUSSPSCK-ZVHZXABRSA-N 350.425 5.624 30 40 FKEB CCCCCCCCCCC(=O)Nc1nc2ccc(OCC)cc2s1 8444167 AWTLLHJICRBQSI-UHFFFAOYSA-N 362.539 6.164 30 40 FKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccccc4)C(=O)[C@@]3(C)CC[C@@H]21 36614417 NNZFUMSSDBUFQN-YAVPIIRUSA-N 372.508 5.814 30 40 FKEB Oc1ccc(Br)cc1/C=N\c1ccc2c3c(cccc13)CC2 103727455 JDNLNJFDBFKBCG-NHDPSOOVSA-N 352.231 5.157 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409240308 GKXHOHCLLMTQPD-HZHRSRAPSA-N 360.482 5.855 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC3CCCC3)c2C#N)C1 994742 SHNDVJHOCZDQRG-HNNXBMFYSA-N 358.551 5.680 30 40 FKEB O=C(/C=C/Sc1ccc(Cl)cc1)c1ccc(Br)cc1 1039028 CDMGKAXCNGKUFB-MDZDMXLPSA-N 353.668 5.591 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1 2738295 QIQXEQKOTPYCGJ-INIZCTEOSA-N 366.530 5.342 30 40 FKEB N#Cc1cc(-c2cccc(Cl)c2)cnc1Oc1cccc(C(F)(F)F)c1 3133107 CZJGGCGXIUXSNP-UHFFFAOYSA-N 374.749 6.085 30 40 FKEB COc1cc(/C=N/OCc2cccc3ccccc23)ccc1OC(F)F 3323653 XRVYPCQIJFESAH-FSJBWODESA-N 357.356 5.001 30 40 FKEB C/C(=N\O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C 17210608 CCYPCFLUAOOJCH-BUVRLJJBSA-N 374.469 5.169 30 40 FKEB Cc1ccc(-c2nc(N/N=C/c3cccnc3)sc2-c2ccccc2)cc1 59484355 FKNVQBJSSFWQSG-BUVRLJJBSA-N 370.481 5.627 30 40 FKEB CCCCCCCCCCCC(=O)c1ccc(OCCCCC)cc1O 100925704 DTVIFSCCWIAOSD-UHFFFAOYSA-N 362.554 7.065 30 40 FKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ccc(Cl)cc1 3128240 CAXVDTRYPFSFHD-UHFFFAOYSA-N 357.265 6.078 30 40 FKEB C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@@H](C)C(=O)c1ccccc1 4843937 BCFFUTDQTAOCOQ-AUSIDOKSSA-N 354.449 5.728 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5215397 LNMQABCSFWESJX-NVMNQCDNSA-N 371.230 5.020 30 40 FKEB C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 5477644 GGIHABHVWOHLRK-RMKNXTFCSA-N 367.905 5.590 30 40 FKEB COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 5901842 MNBJYDQNONKAEH-CQSZACIVSA-N 368.502 5.032 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 8368653 NDMXMPQVMJFBIT-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(F)c(Cl)c3)c3cc(C)cc1c32 12406364 ATEAXQWGQXEPSB-HKOYGPOVSA-N 368.839 5.450 30 40 FKEB CCc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3C)n2)cc1 23203498 VMRBYTLFNNZBRK-PLRJNAJWSA-N 360.486 5.329 30 40 FKEB O=C(O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl 59679354 SFCHIEJSRHFTEV-SRZZPIQSSA-N 359.212 5.233 30 40 FKEB CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1cc(C)cc(C)c1 102913830 DXCBGGXBSAUZFX-YYDJUVGSSA-N 354.457 5.012 30 40 FKEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764133 VZBOGNNREGXPAS-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB Cc1c2ccccc2c(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc12 408997975 PNDRTLZNPLFASZ-UCQKPKSFSA-N 355.397 5.656 30 40 FKEB COc1cc(Br)c(/C=N/c2cc(Cl)ccc2C)cc1OC 409214321 SLBLZXWVKPEBTR-DJKKODMXSA-N 368.658 5.179 30 40 FKEB N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 1476121 RGPKBTUJNWWAHD-UHFFFAOYSA-N 372.280 5.614 30 40 FKEB CCCCCCC12CCC(c3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 2049213 WRUSFYQIWQBLCX-UHFFFAOYSA-N 371.568 7.788 30 40 FKEB Oc1c(Cl)cccc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 2756709 QRNYXRCZOWQDPO-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1 4710521 LMIFYYJMGLFZBN-HSZRJFAPSA-N 368.480 5.923 30 40 FKEB CC(C)CCOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 6245514 COMFVUDKHXVMGB-ZVHZXABRSA-N 367.880 5.759 30 40 FKEB C=C(C)COc1ccc(-c2ncncc2-c2ccc(Cl)cc2)c(O)c1 13125498 MUZBUVLCSFHFGT-UHFFFAOYSA-N 352.821 5.125 30 40 FKEB biogenic CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CCCO1 100049565 GIPDEPRRXIBGNF-MZMPXXGTSA-N 366.586 6.746 30 40 FKEB N#Cc1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 408628866 FHTWVOWCUPJHKJ-UHFFFAOYSA-N 366.873 5.557 30 40 FKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 408706676 CJWUTRCAAGGIHI-UHFFFAOYSA-N 373.324 5.189 30 40 FKEB CC(=O)c1cc(C#N)c(SCc2ccc(Cl)cc2Cl)nc1C 1387454 QVNBUFJPKLADNK-UHFFFAOYSA-N 351.258 5.063 30 40 FKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3[C@@H]2CC=CCC2)cc1 4948839 MOKATNFSLUOWDM-VGSWGCGISA-N 373.500 5.362 30 40 FKEB Cc1ccc(/C=N/c2cc(Cl)c(/N=C/c3ccc(C)o3)cc2Cl)o1 4982908 NHBGUNUWUJBCBV-VGENTYGXSA-N 361.228 6.297 30 40 FKEB N#Cc1ccc(CSc2nnc(Nc3cccc(Cl)c3)s2)cc1 7578377 CTADKAKIGKCYHW-UHFFFAOYSA-N 358.879 5.099 30 40 FKEB Cc1ccc(C(=O)/C=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 96477740 VEOOLOBBRGBGTI-SREVYHEPSA-N 373.296 5.841 30 40 FKEB CCc1ccc(/N=C2/C/C(=N/c3ccc(CC)cc3)c3ccccc32)cc1 100160199 JSRUIGDWNYQTON-DSOYXUETSA-N 352.481 6.457 30 40 FKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(/N=N\c3ccccc3)cc2)cc1 100237724 OECNJPNASSVPSM-AZJKVRHGSA-N 371.440 6.309 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCC(=O)OCC 104192898 BNYQWPMFYZPXQZ-VAWYXSNFSA-N 368.558 6.130 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(C)=O 104201389 WEFFFHXGXJABCD-UHFFFAOYSA-N 356.615 6.107 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 225407863 GXJTXDCBUBGYPN-INIZCTEOSA-N 368.546 5.597 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3C)c2C)cc1 408743397 SQTGBNRXQRXYQG-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB COc1cccc2c(/C=N\c3cccc(C(=O)O)c3)c(-c3ccccc3)[nH]c12 408838041 BOZNJBNYPUWSCA-OYKKKHCWSA-N 370.408 5.292 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409186523 DFOQXTTWUSVTAL-QIWJOQEQSA-N 353.462 5.281 30 40 FKEB CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1 713959 PCRSUCNCNNSBPB-CNHKJKLMSA-N 369.298 5.781 30 40 FKEB O=C(Oc1ccc(/C=N/c2ccc3ccccc3c2)cc1)c1ccccc1 2832006 YLSKNXQOGZUACC-KOEQRZSOSA-N 351.405 5.810 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 4159715 KSRJBIVBVCNQIX-JXMROGBWSA-N 357.236 6.458 30 40 FKEB Cc1cccc(C)c1N/C(S)=N/N(Cc1ccccc1)c1ccccc1 8680906 YZWAFSUQWKGAKP-UHFFFAOYSA-N 361.514 5.623 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 40144970 DJLIOGQLMGSAFE-GXDHUFHOSA-N 358.437 5.479 30 40 FKEB CCCCCCCCCCCC(=O)N(CCCCCC)CCCCCC 97941896 XHSSRWPBXXGUSL-UHFFFAOYSA-N 367.662 7.897 30 40 FKEB Clc1cc(/C=N/c2c3ccccc3nc3ccccc23)c2c(c1)COCO2 100395230 OCQPQUNFULYBFS-BHGWPJFGSA-N 374.827 5.659 30 40 FKEB CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(=O)O 100501266 QATZZTDPCBEGNO-GNIIKOPDSA-N 370.577 7.719 30 40 FKEB CC1=C(c2ccccc2)[C@@]2(c3ccccc3)[C@@H]3C=C[C@H]([C@H]4CC[C@@H]43)[C@]2(C)C1=O 102491176 WZOOUDLTRAKAHN-VCAJTDCCSA-N 366.504 5.829 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1C 165344851 UDVJPGJCUPIVBU-OEAKJJBVSA-N 361.445 5.624 30 40 FKEB C=C1CCC2=Cc3c(ccc4ccccc34)O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 257267625 MICMDRLWYVYYBJ-JQYIIUTOSA-N 358.525 7.167 30 40 FKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccccc1 409119320 SVTLTZDFFVVCSD-UHFFFAOYSA-N 373.496 5.923 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772491790 PRWWYYCTGGYLJU-PFIQWCICSA-N 372.549 5.476 30 40 FKEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1cccc(Cl)c1 2642976 WGYZVHIRHYORMH-HNNXBMFYSA-N 361.828 5.529 30 40 FKEB Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc2c(c1)oc1ccccc12 6232595 WFHSYSVUTHTHPD-ZVHZXABRSA-N 367.408 5.536 30 40 FKEB CCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1 8214638 IIMOXQJFSQSOMN-UHFFFAOYSA-N 354.556 6.177 30 40 FKEB C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 14396798 HYYRLRMGEZBVRB-UHFFFAOYSA-N 369.770 5.348 30 40 FKEB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 96031182 PXCKOQHPOYLYPE-LMKQXYAQSA-N 358.522 5.086 30 40 FKEB in-vitro CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(C)C 208866260 DYZKLUZNPJYSMI-NDENLUEZSA-N 354.471 5.450 30 40 FKEB N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccccc1Cl 225881305 XNLWJVVJMXSITN-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB N#Cc1ccccc1Cn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 409368352 ZERIPBHMDQBHDT-KGENOOAVSA-N 374.443 5.384 30 40 FKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(O)cc1)Nc1ccc3ccccc3c12 822853 PRJXZZPSEPNPHT-XMMPIXPASA-N 369.464 5.855 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C#N)C1 996483 XBQOFSSDYJUTIH-CQSZACIVSA-N 370.493 5.552 30 40 FKEB Cc1sc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C#N)c1C 1060023 ORBQJMGEOUZEBK-DHRITJCHSA-N 369.493 5.990 30 40 FKEB O=C(C[n+]1ccc(/C=C/c2ccccc2)cc1)c1ccc(Cl)cc1Cl 2684623 PXUBSNDCLIRTRU-VOTSOKGWSA-N 369.271 5.334 30 40 FKEB O=C(/C=C/c1cc(Br)cs1)c1cccc(Br)c1 6925890 UCKBCIJGDJLVHT-SNAWJCMRSA-N 372.081 5.169 30 40 FKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1 8570830 GIGWIIPWTIMGDT-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1Cl 8811478 JJBUEFQIPQVSPX-FSJBWODESA-N 359.256 5.686 30 40 FKEB Cc1cc(C)c2c(c1)/C(=N/C1CCCCC1)c1cc3cccc(C)c3nc1-2 12462990 BJYMTCHJWLEKRE-LCUIJRPUSA-N 354.497 6.311 30 40 FKEB CCc1ccc2ncc(C#N)c(Nc3ccc(Br)cc3)c2c1 23119225 NAEPDJICNSGPGK-UHFFFAOYSA-N 352.235 5.175 30 40 FKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1cccc2ccccc12 33378709 PJNDOPWSXRTVFI-MSUUIHNZSA-N 358.440 7.042 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(Cl)cc(Cl)c2)cc1 44843136 XRPIITVONMYTIL-CMDGGOBGSA-N 364.272 5.981 30 40 FKEB CCCCCCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 102565168 RARGNUTWQCYLSX-UHFFFAOYSA-N 355.522 5.643 30 40 FKEB CCCCCCCCCCCCCCCC(=O)N(CCCC)CCCC 104158147 LIJJEQWAIAPJAK-UHFFFAOYSA-N 367.662 7.897 30 40 FKEB CCCCCCCCN(CCCCCCCC)C(=O)c1cccc(C)c1 104349758 LDQOARRFWXCOII-UHFFFAOYSA-N 359.598 7.158 30 40 FKEB C=CCOc1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225356869 ZEQPZQITBQZYBN-UHFFFAOYSA-N 350.245 5.130 30 40 FKEB O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906514 CEKGODQMAPGPRM-KLPPEWMLSA-N 360.438 5.084 30 40 FKEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Br)cc1C 408962267 XVLDMDNOPMRCDY-BKUYFWCQSA-N 357.295 5.417 30 40 FKEB Cc1ccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 409074082 KBVZYQZFKYBYIG-IUXPMGMMSA-N 353.603 5.070 30 40 FKEB C=CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1Cl 409216412 HXPMYFJMQDROER-VBKFSLOCSA-N 365.882 5.131 30 40 FKEB CC1(C)c2ccccc2-c2c1cc(B1OC(C)(C)C(C)(C)O1)c1ccccc21 2113469524 JGCKUGBZEXUSKL-UHFFFAOYSA-N 370.301 5.445 30 40 FKEB CCCCCCC[N+](C)(C)Cc1cn(Cc2ccccc2)c2ccccc12 2234247 MFIUDGNKAUCITE-UHFFFAOYSA-N 363.569 6.236 30 40 FKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3cccc(Cl)c3)ccc21 5191347 VOXSVSAHKJJRNR-ODLFYWEKSA-N 352.773 5.128 30 40 FKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 5378722 XNLDAIILCAVPJC-OVCLIPMQSA-N 363.254 6.012 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NCc1ccccc1 23002830 AWELIHFLRURHCR-UHFFFAOYSA-N 361.448 5.899 30 40 FKEB C[C@H]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Br)c2C1 96511110 GOHWEYJPFWTIFE-JTQLQIEISA-N 361.670 5.161 30 40 FKEB CCCCCCCCP(=O)(CCCCCCCC)c1ccccc1 102133802 FYNJJZYUEAWTTN-UHFFFAOYSA-N 350.527 7.396 30 40 FKEB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 408629206 PSPDHJYLHCYKQZ-CQSZACIVSA-N 368.502 5.032 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc3ccccc3c2)c1C 408968794 ZEQMJVDPCKCBKR-ONUIUJJFSA-N 352.481 6.560 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1Cl 409020096 LWBQURGWUMGYDK-VARIZKOUSA-N 366.244 5.620 30 40 FKEB C=CCOc1ccc2ccccc2c1CNc1ccc(Br)cc1 409198043 VMFWVYKQGIQBKL-UHFFFAOYSA-N 368.274 5.779 30 40 FKEB C[C@H]1C[C@@H]1c1nc(C#N)c(NCc2ccc(Oc3ccc(F)cc3)cc2)o1 1775976587 RZWQSAVYUHONOX-UGSOOPFHSA-N 363.392 5.213 30 40 FKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2ncccc2c1 1435429 VBSHLNPXFMEVRG-AWQFTUOYSA-N 361.626 5.107 30 40 FKEB CCOc1ccc(/C=C/C2=Cc3c(sc(N)c3C#N)C(C)(C)C2)cc1 3246449 HOULKZBIBGUWGG-AATRIKPKSA-N 350.487 5.379 30 40 FKEB N#Cc1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCCCC2 4144792 HHSUQTAUQFKDLL-UHFFFAOYSA-N 359.882 5.576 30 40 FKEB Cc1cc(/N=C(/S)SCc2ccc3c(c2)OCO3)ccc1Cl 6484565 FCHHNMMZWQDEIZ-UHFFFAOYSA-N 351.880 5.228 30 40 FKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 8116511 WCAVNZZVRLEDQN-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB Clc1ccc(/N=C\c2ccccc2OCc2ccccc2)c(Cl)c1 12376563 SZCDYOYMKZVBNB-QRVIBDJDSA-N 356.252 6.323 30 40 FKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@H](C)OC(C)=O 12653488 FCPHMAOZUSIKSS-YEJLSDCASA-N 374.609 7.244 30 40 FKEB biogenic Oc1c(Cl)cc(Cl)cc1/C=N/N=C1c2ccccc2-c2ccccc21 16921033 UNJYHZMXRMJLJA-FOKLQQMPSA-N 367.235 5.551 30 40 FKEB N#Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1 27051665 RGSZBFTUJFMKHP-CSKARUKUSA-N 360.394 5.091 30 40 FKEB Cc1ccc(/C=N/c2sc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 101206737 JCHLWXFBTYQRHO-MFKUBSTISA-N 368.461 6.606 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3cccc(O)c3)C2=C(O)C1 103872327 YLNZMXMOQIYQCL-LJQANCHMSA-N 371.436 5.170 30 40 FKEB C(=N\c1oc(-c2ccccc2)nc1Sc1ccccc1)\c1ccccc1 104153937 JFSQCDMTAQXXFV-KQWNVCNZSA-N 356.450 6.243 30 40 FKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1 408968095 WJYUBEQEWSKZGN-QFEZKATASA-N 359.860 6.046 30 40 FKEB C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3Cl)c(C#N)c2C1 4072601 KAGUATRVDURTMP-SECBINFHSA-N 365.285 5.304 30 40 FKEB Brc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1 4920970 IMLSZVUUKQLGNJ-PXLXIMEGSA-N 365.274 5.490 30 40 FKEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 5024216 SGVNLZJFOFHELH-QOMWVZHYSA-N 368.465 5.612 30 40 FKEB CCOc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C 6963857 RRVCLAQAMBCSCU-VXLYETTFSA-N 352.659 5.560 30 40 FKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccc(F)cc2)oc1NCc1ccccc1Cl 1775976642 SIMVKICPSXCVQV-HZPDHXFCSA-N 367.811 5.222 30 40 FKEB N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2 2027094 ASRZGVFSLGKJPI-UHFFFAOYSA-N 372.493 5.497 30 40 FKEB COc1ccccc1[C@H](CC/N=C/c1ccccc1)[C@H]1CCOC(C)(C)C1 4028077 MZKGKUVVRZXESK-KSCGDFCGSA-N 365.517 5.493 30 40 FKEB biogenic CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 4194626 ATVVNQKHAXWZSA-AWEZNQCLSA-N 368.502 5.176 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 4738831 UFUMYEQFJQNNGQ-MFKUBSTISA-N 374.484 5.638 30 40 FKEB CSc1nc(Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820757 VWDCVFNXIPPFJX-UHFFFAOYSA-N 374.513 5.913 30 40 FKEB Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 20736256 WYOPRJGCNBLOIK-HNAYVOBHSA-N 362.454 5.003 30 40 FKEB CCCCCCCCCCC[C@H]1CC(=O)[C@H](CCCCCC)C(=O)O1 97978724 TYBPYMSSRRRYRQ-PMACEKPBSA-N 352.559 6.379 30 40 FKEB in-vitro C=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 216814495 VMJAQWDJPHLZDC-UHFFFAOYSA-N 355.192 5.054 30 40 FKEB Cc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1 408771885 JVPSAEZEPMJOCE-ZROIWOOFSA-N 363.269 5.193 30 40 FKEB Brc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 1233785 GWYIVVKJFUBLOA-KGENOOAVSA-N 351.247 5.943 30 40 FKEB CCCCCCCCCCSc1nc(-c2ccccc2Cl)n[nH]1 2177824 SJIWMSOWKVXDPQ-UHFFFAOYSA-N 351.947 6.358 30 40 FKEB C=CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2299694 SFFCFHURWYTWMV-UHFFFAOYSA-N 355.532 5.520 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)CCCC(C)C)[C@H]3C[C@@H]12 4043774 RINUGOBJPTXRGQ-LLPMHQGWSA-N 361.570 5.105 30 40 FKEB biogenic N#Cc1ccc(O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7890293 QCCYXCUPJQMEIU-HSZRJFAPSA-N 352.393 5.043 30 40 FKEB CCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1 12436542 VHZBLGVEKPBBKA-RGEXLXHISA-N 369.848 5.254 30 40 FKEB N#Cc1c(/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 59459995 OCQDORIBSRIDHP-MFKUBSTISA-N 372.493 5.828 30 40 FKEB C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@@H]1CC/C(C)=C/C(=O)O 85992604 ULWOIBVJYLRVQJ-YAJZYRLLSA-N 362.510 5.140 30 40 FKEB biogenic,in-vitro C/C(=C\C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1 89262013 HMOAXZWPFROYBK-XKOZXHHJSA-N 364.754 5.034 30 40 FKEB CCCCCCCCCCCCNC(=O)Nc1cc(Cl)nc(Cl)c1 95671308 RRMFOCOJOGMCGW-UHFFFAOYSA-N 374.356 6.431 30 40 FKEB Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c(C)n1-c1cccc(Cl)c1 408760465 ZAGNSVMJMGZFLM-SRZZPIQSSA-N 369.808 5.112 30 40 FKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccc1 408787292 WPSUGPSHBOBHSL-NLRVBDNBSA-N 365.480 6.588 30 40 FKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1C 409121579 YPLHSPYUASIWTJ-UHFFFAOYSA-N 354.664 5.579 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 409181823 FUVVEVJDLPQBQK-ZHACJKMWSA-N 352.777 5.210 30 40 FKEB C=CCn1c(SC/C=C/c2ccccc2)nc2sc(C)c(C)c2c1=O 2399096 FKMFYAVVILZPDY-DHZHZOJOSA-N 368.527 5.066 30 40 FKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(Oc2ccccc2)cc1 4655804 HZTLJNTZWTYQRY-HMMYKYKNSA-N 372.449 5.371 30 40 FKEB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1/N=C/c1ccc([N+](=O)[O-])cc1 5416497 BTAAIPBNCSCKBZ-MFKUBSTISA-N 374.484 6.122 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N\C1CCCCC1 12879922 UBVDQPPYMIRBTH-TXFOKPOVSA-N 355.610 7.193 30 40 FKEB biogenic Clc1ccc(/N=C2/c3ccccc3CN2c2ccc(Cl)cc2)cc1 13467958 UDXLICZFPRSKOW-ATJXCDBQSA-N 353.252 6.092 30 40 FKEB O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2)N1c1ccccc1 15220933 TVDLTIPJVXSQBV-BLFRMDKKSA-N 372.449 5.201 30 40 FKEB C/C(=N/OC(=O)c1ccccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 44790619 UQNCJHRKXVJXJL-OYKKKHCWSA-N 361.828 5.492 30 40 FKEB CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC 72171064 GESHRHVYCSRGQP-UHFFFAOYSA-N 356.547 5.820 30 40 FKEB CCC(=O)Nc1cc(Cl)c2nc(N/N=C(/C)CC)sc2c1Cl 72228999 ZCKOQAIXYLMTKH-GXHLCREISA-N 359.282 5.149 30 40 FKEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 101154130 QQXYNCMGEMPKAC-FOCLMDBBSA-N 363.844 6.331 30 40 FKEB CCCCCCCCCCCCOC(=O)C[C@@H]1C[C@@H](C(C)=O)C1(C)C 104172365 LGGLZSKITXBWKZ-PMACEKPBSA-N 352.559 6.092 30 40 FKEB CSc1nc2ccc(/N=C/c3ccccc3Br)cc2s1 3250990 UPLCIDJEMWEUCG-RQZCQDPDSA-N 363.305 5.531 30 40 FKEB N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)cc1 4072586 PWUWDJYAIOYBPM-UHFFFAOYSA-N 374.252 5.241 30 40 FKEB CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 5188656 XQSDHWVDSCIDNP-NPMXOYFQSA-N 364.464 5.684 30 40 FKEB CCCCCCCOc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 8424932 YSHOKGQHDTXIPX-UHFFFAOYSA-N 370.880 6.406 30 40 FKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccccc1OC(F)F 12525021 BZRXDWARMLTJJP-FOKLQQMPSA-N 361.779 5.326 30 40 FKEB CCCCCCC(=O)/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 17105360 FKXGZFMOJZHDLK-DTQAZKPQSA-N 370.876 6.112 30 40 FKEB CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@H](C[C@H](C)SCC)C1 100858576 UNYHPEBIVPSHTA-DLBZAZTESA-N 367.599 5.290 30 40 FKEB C=C/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 195759524 HALRAMNRSBXAOM-ARJAWSKDSA-N 372.124 5.467 30 40 FKEB Oc1cc(Cl)ccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409071194 FSRXSZCCWXMQFQ-UUYOSTAYSA-N 374.292 6.601 30 40 FKEB CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(OC)cc3)cc2c1 4981192 LMKOACFDGAIYLH-IZZDOVSWSA-N 367.832 5.192 30 40 FKEB O=[N+]([O-])c1ccc(/C(=N\Nc2ccccc2)c2ccc(Cl)cc2)cc1 5742454 RVADDMIWYPTPGI-QOCHGBHMSA-N 351.793 5.113 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 5901796 OMPQWXSUUGQPHE-CYBMUJFWSA-N 356.466 5.162 30 40 FKEB Cc1ccc(/N=C(\S)Nc2ccc(OC(F)F)c(Cl)c2)cc1F 13683561 IVGAKCJRQCSVHT-UHFFFAOYSA-N 360.788 5.418 30 40 FKEB CCOc1ccccc1/C=N/c1nc2ccccc2n1Cc1ccccc1 988833 ROJYEEUJJTXXAX-LFVJCYFKSA-N 355.441 5.234 30 40 FKEB CCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 1865413 FYRCJESZNSAWKP-UHFFFAOYSA-N 353.462 5.968 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccccc4)cc3O)nc2c1 2147745 PLXZYTCQZULFPX-FKORGFIESA-N 354.409 5.925 30 40 FKEB Cc1cc(C)c(/C=C/C(=O)c2ccccc2OCc2ccccc2)c(C)c1 5212226 SIKMBWWJHUQIHT-BUHFOSPRSA-N 356.465 6.087 30 40 FKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O 5824841 UDGUXQIICUYLOW-XNRSFFRDSA-N 362.425 5.213 30 40 FKEB biogenic COc1ccccc1/C=C\C1=C(C)C(=O)C[C@@H](c2ccccc2OC)[C@H]1C 6441817 MMBWSOJWZHGXOX-QUQBCWQSSA-N 362.469 5.426 30 40 FKEB CC(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(C)=C/[C@@H]1C=CCCC1(C)C 8642172 YORFVAYQXZSQLJ-ZBNJZRIZSA-N 372.425 5.230 30 40 FKEB O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(Cl)s1 58571244 IOVQWEOTTSASLU-CMDGGOBGSA-N 355.846 5.272 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C#N)C1 102173737 YNILPZPGEHGBTC-AIANPOQGSA-N 370.562 5.536 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408691728 NSKAMLJHRNBMLX-NTCAYCPXSA-N 373.408 5.378 30 40 FKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccccc1 408738332 KBDFNCKGFQKZLI-FYJGNVAPSA-N 353.263 5.607 30 40 FKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl 409066823 OBWLEIJYLKSUMM-QRVIBDJDSA-N 372.320 7.204 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C 409198940 AIYGOEWBKFVEEE-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CC(C)CCOc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2297736035 LJDPWPHDFXPPPS-UHFFFAOYSA-N 366.310 5.078 30 40 FKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2198768 HEKMYRQYJORJSS-ODLFYWEKSA-N 352.773 5.128 30 40 FKEB CCCCCCCCCCCn1c2ccccc2c2nc3ccccc3nc21 2667993 YUZSFNZCVPPEDO-UHFFFAOYSA-N 373.544 7.269 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 5214064 MCUFVDTXMMITSG-PKNBQFBNSA-N 353.761 5.404 30 40 FKEB C=CCN(C(=O)c1oc2c(F)cccc2c1C)c1nc2ccccc2s1 12923767 FSGQHJMWNXWMCV-UHFFFAOYSA-N 366.417 5.323 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 205143342 JLJHNSZOYUGALW-UHFFFAOYSA-N 369.505 6.077 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 408756178 OCWXZZVMTRENKM-NLRVBDNBSA-N 358.529 6.750 30 40 FKEB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)o1 409090590 MFLGZWMPFOJNCI-PZDISWOBSA-N 374.893 5.501 30 40 FKEB CCc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409238283 WRGVUEDYYRZECU-QQXSKIMKSA-N 356.444 6.142 30 40 FKEB Clc1ccc(CO/N=C(\c2ccccn2)[C@H]2C[C@@H]2c2ccccc2)cc1 1389494 KXSCUFLGDPVJOC-LHNXBPQHSA-N 362.860 5.460 30 40 FKEB N=C(Nc1ccccc1)SCCCCCS/C(N)=N/c1ccccc1 1667640 CYFFTDPDDQKUDA-UHFFFAOYSA-N 372.563 5.316 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2286579 FVHGXGLWQPRSQL-UHFFFAOYSA-N 355.532 5.349 30 40 FKEB CC(C)(C)C1=CC(=NOC(=O)/C=C/c2ccccc2)C=C(C(C)(C)C)C1=O 3106641 HMVJJKJMODXOIB-OUKQBFOZSA-N 365.473 5.127 30 40 FKEB C=CCOc1ccc(/C=C/C(=O)c2ccc(OCCCCC)cc2)cc1 4932307 CWHCKEMPCYSRSK-CXUHLZMHSA-N 350.458 5.717 30 40 FKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 5649217 SFBDKOZKTGOCMV-KAMYIIQDSA-N 359.381 5.070 30 40 FKEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1Cl 6053464 APVANJIQULDCOO-ORCRQEGFSA-N 369.631 5.314 30 40 FKEB COc1cc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)ccc1O 8322793 UBVKAYGBYGLRNC-VQHVLOKHSA-N 371.845 5.074 30 40 FKEB Clc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)c(Cl)c1 13284072 GBJFVZWXNMSUHQ-FSJBWODESA-N 366.251 6.141 30 40 FKEB CC(=C/c1ccccc1)/C=N/N1CCN(Cc2cccc3ccccc23)CC1 20065157 SYIJIWYKGGEVID-RABKSQAHSA-N 369.512 5.047 30 40 FKEB C/C(=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccncc1 34254210 WNAWWPQXMTWEPS-WGARJPEWSA-N 373.847 5.181 30 40 FKEB N#C[C@H](C(=O)c1cc2c(F)cccc2s1)c1nc2ccccc2s1 41504194 RGCOJSRTWACETJ-LLVKDONJSA-N 352.415 5.140 30 40 FKEB COc1ccc(/C=N/CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1 100759674 OUCBQFUPVWLMFD-XEONKVMSSA-N 359.554 5.762 30 40 FKEB biogenic Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 408737483 BMNWDPYSHOTNQO-OEAKJJBVSA-N 351.881 5.564 30 40 FKEB COc1ccc(Oc2ccc(/N=C/c3ccc4ccccc4c3O)cc2)cc1 409107903 XWYKSXHGLKTSGI-PCLIKHOPSA-N 369.420 6.097 30 40 FKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3cc(C)ccc3C)c2)c1 409208206 AHMLOEQQLHEVRN-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB C=CCO[C@@H]1CC2(CCN(CC3CCCCC3)CC2)c2ccc(C)cc21 2055738644 GQGQLIZNGLTJLI-HSZRJFAPSA-N 353.550 5.556 30 40 FKEB Clc1ccc(/C=N/Nc2nc(-c3cccc4ccccc34)cs2)cc1 4749563 HQUQYYPBNITWMR-WSDLNYQXSA-N 363.873 6.063 30 40 FKEB CCCCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21 5261236 VPQIOOJUQQVWTQ-UDWIEESQSA-N 372.266 5.055 30 40 FKEB Cc1ccc(N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1Cl 5694455 LWBSAQGUMRUWPF-MFKUBSTISA-N 373.887 6.253 30 40 FKEB Oc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 38179398 NEGMCPBIEUXOAG-VOTLOGCMSA-N 366.464 5.969 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1 100318875 SJNCMISSTSMUFF-UHFFFAOYSA-N 362.554 7.030 30 40 FKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccccc1 408738859 PJDONVMFYSHJFZ-FYJGNVAPSA-N 353.263 5.607 30 40 FKEB C=CCc1cc(/C=N\c2ccc(C)cc2Br)cc(OCC)c1O 408852117 IJYIKWAASJLQSR-MTJSOVHGSA-N 374.278 5.341 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2C)cc1Cl 409010031 JGJCFYBXOFPNOX-OFJBCHTGSA-N 359.853 5.363 30 40 FKEB N#C[C@@H](C(=O)C1c2ccccc2-c2ccccc21)c1nc2ccccc2s1 3307900 LGUVEVSMSHTXPM-SFHVURJKSA-N 366.445 5.285 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 4062130 RXZQACCASWKYSX-ILGHFYISSA-N 373.537 5.347 30 40 FKEB biogenic,in-vitro C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC)cc1 4345967 LHLDUKOJIYVDSB-UHFFFAOYSA-N 371.893 5.085 30 40 FKEB Cc1ccc(/N=C/c2cc(/N=N/c3ccc(Cl)cc3)ccc2O)c(O)c1 4575840 YLBWCWMAORHKTJ-OBMCKAMCSA-N 365.820 6.226 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)c1 5587549 OZXHKTDVEBDUTF-CVKSISIWSA-N 353.469 6.010 30 40 FKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1 8368250 JKUGJPHDIUMEIL-UCQKPKSFSA-N 360.413 5.541 30 40 FKEB COC(=O)c1cccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c1 12417858 XOXUDDMFGQEKSP-UNOMPAQXSA-N 362.406 5.063 30 40 FKEB CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(OC)c(OC)c1 12585899 OQMBILHBGYMPRW-XQNSMLJCSA-N 369.852 5.132 30 40 FKEB COc1ccc(-c2nnc(SCCCC#N)n2[C@H]2CCCC[C@@H]2C)cc1 12790556 REZYCMTVFQPXNU-YJBOKZPZSA-N 370.522 5.101 30 40 FKEB CCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCCCCCCC(=O)OCC 22058839 PEZIQWVKZYIKRH-BQJUDKOJSA-N 368.558 5.566 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 96022524 UASHKYUFFWZDNX-XKZIYDEJSA-N 362.433 5.065 30 40 FKEB CCCCCCCCCCCCCC/[N+]([O-])=C\c1ccc([N+](=O)[O-])o1 104203949 HWLBMRKFSXGXGM-LVZFUZTISA-N 352.475 5.818 30 40 FKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1 223517247 GCORJHGYQRFHKJ-WGOQTCKBSA-N 360.545 6.718 30 40 FKEB CCn1c(N/N=C/c2ccccc2OCc2ccccc2)nc2ccccc21 408692666 RVJCVNQBOFROJK-LFVJCYFKSA-N 370.456 5.081 30 40 FKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1C1CCCCC1 408739736 FCWFHJHEEOCKMV-FYJGNVAPSA-N 359.311 6.123 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cc(C(=O)O)ccc2C)c1C 408959626 CESQAHAAQKYPGP-QFEZKATASA-N 374.484 5.722 30 40 FKEB CCc1cccc2c(C#N)cn(CCCOc3ccc(Cl)c(C)c3)c12 409199511 OGFCMPZBWMYBJO-UHFFFAOYSA-N 352.865 5.506 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 409201575 MRGMSGQDZGTONM-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)[C@H](CC)CCCC 95785327 XJNUECKWDBNFJV-HSZRJFAPSA-N 368.646 8.227 30 40 FKEB CCCCCCCCCCC(CO)(CO)CCCCCCCCCC 101004881 KUAUHGYNDGHQBF-UHFFFAOYSA-N 356.635 7.019 30 40 FKEB N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2Cl)sc2c1CCCC2 408739994 HKJDKFXYBPTYGH-ODCIPOBUSA-N 369.704 6.209 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(C(C)=O)c2)c1C 408843160 DVCXKCMKPRIFII-MFKUBSTISA-N 358.485 5.918 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(F)c2)cc1 409210685 LZSXYQDFDBXMCK-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)c(C#N)c1N 842728 WKOABWPZVJUMTB-UHFFFAOYSA-N 374.241 5.109 30 40 FKEB O=C1ON(c2ccccc2)[C@H](c2cccc3ccccc23)N1c1ccccc1 2418110 MFVBFXBIMFUUIZ-HSZRJFAPSA-N 366.420 5.917 30 40 FKEB C=CCSc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1 3073180 IMMOJDCWTWGHLA-VXLYETTFSA-N 360.891 5.684 30 40 FKEB CSc1nc(Cl)c(/C=N/Nc2ccc(C(C)C)cc2)c(Cl)n1 4280855 NPBPYZLXHHBUMO-QGMBQPNBSA-N 355.294 5.075 30 40 FKEB C[C@H](OC(=O)c1ccc(Oc2cccc(C#N)c2C#N)cc1)c1ccccc1 4593283 FAEHFWDPWZSHJL-INIZCTEOSA-N 368.392 5.140 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccs1 4863786 BVHGJVHMTVSFEJ-JLHYYAGUSA-N 374.440 5.636 30 40 FKEB CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 5570300 DYHRLEDAEDPIHP-ZRDIBKRKSA-N 366.536 5.952 30 40 FKEB C[C@H]1C(=NO)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 5611062 DPZXORLWNADUGH-OGCKGYDTSA-N 363.288 5.481 30 40 FKEB C=CCc1cc(OC)ccc1OCC(=O)Nc1ccccc1-c1ccccc1 8273231 ABISZHXMSPAYRH-UHFFFAOYSA-N 373.452 5.108 30 40 FKEB CCOc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 13123058 KLQSFWNYUJSBCY-MWKGPOOMSA-N 356.421 5.485 30 40 FKEB aggregator CCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccc(OC)cc1 13858364 FPGLRERKARMPJL-QLJNEMMGSA-N 372.515 5.079 30 40 FKEB CN(Cc1ccsc1)C(=O)c1ccccc1Sc1ccccc1C#N 26089355 YVGLTRCMLRTZNA-UHFFFAOYSA-N 364.495 5.043 30 40 FKEB O=C(/C=C/Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 32100180 QJUZZGXPBNRBSO-CMDGGOBGSA-N 371.061 5.564 30 40 FKEB CCCCCCCCOc1ccc(NC(=O)Oc2ccc(OC)cc2)cc1 68603083 VARFBOXYBMYYSV-UHFFFAOYSA-N 371.477 6.045 30 40 FKEB biogenic CCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCC 103685779 SGRCVQDBWHCTIS-LJQANCHMSA-N 356.547 5.963 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1C 409210898 MAGRJOHBINHSGC-DHRITJCHSA-N 367.851 6.426 30 40 FKEB N#Cc1ccccc1CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 9422737 FRYPSILAXQFELZ-UHFFFAOYSA-N 373.403 5.015 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(C#N)cc3)C2=C(O)C1 13281959 XEPNGRIVRIDEEJ-HXUWFJFHSA-N 374.484 5.372 30 40 FKEB Brc1ccc(/C(=N\Nc2ccccc2)Oc2ccccc2)cc1 17047374 YFZMAKMOTMGVGT-ZBJSNUHESA-N 367.246 5.302 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(-c2ccccc2)cc1 33777736 RLHHAWUSMWTRMM-YZSQISJMSA-N 358.460 6.152 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4ccccc4)cc3)[C@H]2C1 59471634 FBXJFKVVERRITM-FBLLRUGISA-N 350.465 6.264 30 40 FKEB CCCCCCCCCCCCCC/C(C(=O)OC)=C(/O)C(=O)OCC 102970089 MOYBFVUONLWFKB-HNENSFHCSA-N 370.530 5.626 30 40 FKEB C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 408691759 PBFRQBYQPKBSJU-CSKARUKUSA-N 357.247 5.218 30 40 FKEB CCOc1ccccc1/N=C\c1cc(Cl)c(O[C@@H](C)CC)c(OC)c1 409382829 RMMVDSFOBOTGSG-CRRPLPBISA-N 361.869 5.675 30 40 FKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1 2203950 RHHQQRHFRICIDD-UHFFFAOYSA-N 368.448 5.226 30 40 FKEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)c2ccccc2Cc2ccccc21 4655756 WHCOCTIBGSPWLH-YBFXNURJSA-N 365.259 6.321 30 40 FKEB C[C@H](/N=C(/S)Nc1ccc(OC(F)F)cc1OC(F)F)C(C)(C)C 8687905 XOAZEISOVKGUTO-QMMMGPOBSA-N 368.396 5.022 30 40 FKEB Fc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 8811816 IPSIDWYWJFXEPS-ZMOGYAJESA-N 368.839 5.182 30 40 FKEB CCCCC[C@H](/C=N\Nc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 17249173 BITMRBQVPNOJGA-RMJYUUNHSA-N 370.337 5.137 30 40 FKEB COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCCC3(C)C)C1=O 73311503 ZMWPUCGPHZVIMQ-LLMIVBOJSA-N 374.521 5.140 30 40 FKEB CCN1c2cc(C)c(C=C3C(=O)c4ccccc4C3=O)cc2[C@@H](C)CC1(C)C 113790758 PVYKEXKXYSOFFD-INIZCTEOSA-N 373.496 5.570 30 40 FKEB CC(C)CCCC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925920 CGEVFSWVWBKTII-UFDNECOXSA-N 370.621 7.351 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)c1 408617309 ADLFETBEDSXZQM-BUHFOSPRSA-N 373.452 5.167 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1 408737893 JDRLHXYCVAMEHV-FOKLQQMPSA-N 361.247 6.291 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1O 409095798 IDULIAKDDVJJCF-CIAFOILYSA-N 368.776 5.497 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(O)cc3)cc2[N+](=O)[O-])cc1 409117672 PWBTXMBSAPINDQ-BKUYFWCQSA-N 364.426 5.511 30 40 FKEB O=C(Nc1ccc(C#Cc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 4088447 NJSAJGYLWJUZIN-UHFFFAOYSA-N 366.247 5.646 30 40 FKEB COC(=O)c1sccc1-c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)o1 5248396 KDOVFJRQMXHDTO-SOFGYWHQSA-N 372.829 5.344 30 40 FKEB CCOc1ccc(Nc2c(CC)c(C)c(C#N)c3nc4ccccc4n23)cc1 17729777 FYJFUDJTMAFNLE-UHFFFAOYSA-N 370.456 5.372 30 40 FKEB N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 44085455 SYHDDZIDPGDXEN-UHFFFAOYSA-N 374.296 5.521 30 40 FKEB Cc1nc2cc(/N=C\c3ccc(N(C)C)cc3)ccc2n1Cc1ccccc1 85944404 ZQUZFRCGZCLICA-XYGWBWBKSA-N 368.484 5.210 30 40 FKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccco1 95944705 WVAJETQEFMLUFE-OUKQBFOZSA-N 373.839 6.353 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 100216202 ICHLDSNHYLTWLO-MFKUBSTISA-N 370.452 5.134 30 40 FKEB CCCCCCCCCCCCCCCc1cc(=O)[nH]c2ccc(C)cc12 100306278 UHNJILJSJIXWLB-UHFFFAOYSA-N 369.593 7.470 30 40 FKEB Clc1ccc(/N=C\c2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 101465326 ITCBZDBGGMJBQB-GACBQCINSA-N 353.252 6.495 30 40 FKEB CCCCCCCCCCCCCC(=O)O[C@H](C)CC[C@@H]1CCCO1 104260052 GLZRHJFPZLBSSW-RTWAWAEBSA-N 354.575 6.578 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 408625135 WNPIECMGOIQYAH-XNTDXEJSSA-N 359.381 5.070 30 40 FKEB Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br 409107155 VIHXGRYWFAFCJW-CAOOACKPSA-N 353.603 5.070 30 40 FKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccccc1F 3206287 ONEJNFMGEIASGA-UHFFFAOYSA-N 351.446 5.451 30 40 FKEB C=CCc1ccc(Oc2ncnc3sc4c(c23)CCCC4)c(OC)c1 3209140 JGKSRNULQZSTKK-UHFFFAOYSA-N 352.459 5.100 30 40 FKEB N#Cc1c(/N=C/c2ccccc2Br)sc2c1CCCCC2 3236495 PZAOEXSCOCYMAN-RGVLZGJSSA-N 359.292 5.402 30 40 FKEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CC)C1CCCCC1 4265972 SVWJIYAMJCPNNJ-ZBQKJFDRSA-N 362.430 5.287 30 40 FKEB CC(C)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 5189585 URSGHFFYMKAANT-SAPNQHFASA-N 356.465 6.285 30 40 FKEB Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccco2)c2ccc(F)cc2)cc1 5617810 KGHGPPSSTBSVRJ-XTHZKXGESA-N 363.388 5.092 30 40 FKEB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1\CCCCC1=O 103279401 ALNXONDIONPRAA-NTCAYCPXSA-N 355.459 5.031 30 40 FKEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225467341 NIAUCIBGWVOAQP-QGZVFWFLSA-N 353.462 5.089 30 40 FKEB O=C(NC1CCCCC1)c1c(/N=C/c2ccsc2)sc2c1CCCC2 408981022 HHNOMEJEMRMCMY-CIAFOILYSA-N 372.559 5.502 30 40 FKEB C#CCOc1c(CC=C)cc(CNc2ccc(C)c(Cl)c2)cc1OC 409109348 BZYSAHHBAQTULV-UHFFFAOYSA-N 355.865 5.010 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccc2c(c1)OCO2 833882 LOGUBNGVYPZNII-XMMPIXPASA-N 369.420 5.242 30 40 FKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 5376316 LXFKDTBNLZWUBS-NVNXTCNLSA-N 363.269 5.193 30 40 FKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(OCc3ccccc3)cc2)c1 44844396 FBTYDLURPSMYCL-CCEZHUSRSA-N 357.453 5.691 30 40 FKEB CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 59066588 JZWLIRVAYJRWLN-JOCHJYFZSA-N 370.618 7.254 30 40 FKEB biogenic,in-vitro CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@@H]1CO1 90427576 ACYNJBAUKQMZDF-DNICQTJSSA-N 360.538 6.074 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C 100101899 UCWYGNTYSWIDSW-QXMHVHEDSA-N 366.634 6.092 30 40 FKEB Brc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)s1 100309930 WJGVQRMZSRBKTQ-UNOMPAQXSA-N 358.260 6.054 30 40 FKEB CC[C@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 225798916 ZTXNYRJOLSLEJP-KRWDZBQOSA-N 374.525 5.151 30 40 FKEB O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 408932325 CADIIAKHZQGPBU-UUYOSTAYSA-N 359.307 5.155 30 40 FKEB CC(C)c1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242995 NVZUNXIKCUCCMD-UHFFFAOYSA-N 366.223 5.461 30 40 FKEB O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1cccc2ccccc12 2251197 VGRWSUWSQYDFRT-QHCPKHFHSA-N 366.420 5.917 30 40 FKEB C=CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 8254487 MYBKFKSDOHXHQB-TVGZPFHWSA-N 369.549 5.345 30 40 FKEB CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C 8457016 IWROSCADYPUKCR-NRFANRHFSA-N 352.607 5.678 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 12656809 RXZQACCASWKYSX-CLXFOYLPSA-N 373.537 5.347 30 40 FKEB C=CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 20897447 BACJIZQHNNCPMS-OAHLLOKOSA-N 370.518 5.111 30 40 FKEB CCCCCCCCNC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 59608802 IXZDKZIVEDRDTC-UHFFFAOYSA-N 352.547 5.905 30 40 FKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OCCCC 95740490 FEXXLIKDYGCVGJ-SFTDATJTSA-N 354.575 6.578 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)C2 100253320 OUPALRQWHSOKMK-CVKSISIWSA-N 369.512 5.640 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N 225848683 RDBCAFIUAHRNJK-OAQYLSRUSA-N 360.498 5.050 30 40 FKEB CCCCCOc1ccc(N/C=C2\C[C@H](C(C)(C)CC)CCC2=O)cc1 408564022 UQWIIUKONSCSBL-ZELAZJAISA-N 357.538 6.357 30 40 FKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1c2ccccc2cc2ccccc12 408931289 JOBPLQGGVOYPPU-NLRVBDNBSA-N 366.464 5.580 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409105684 LPMFLLZCHLTFLK-XARWVIDASA-N 371.790 5.377 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1Cl 409211914 OPAIIXYJKXGWQF-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 409244475 DETSUPKNLIWGFK-HMAPJEAMSA-N 362.454 6.113 30 40 FKEB C[C@H](C[N+]1(C)CCCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 1593503 BCOVIRQOLWDQET-JOCHJYFZSA-N 361.553 5.543 30 40 FKEB C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 2714245 WAKQJSMYCQAPAT-UHFFFAOYSA-N 374.875 5.647 30 40 FKEB COc1ccc(Oc2ncc(-c3cccc(C(F)(F)F)c3)cc2C#N)cc1 3133671 DZQHZYXPQJSTMT-UHFFFAOYSA-N 370.330 5.440 30 40 FKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(C)c1 4345977 OWRPAHRUNIQSRM-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB CCc1ccc(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 5470611 UCFJBHHFRZGSCJ-CIAFOILYSA-N 350.374 5.182 30 40 FKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 5517767 RSOGGZJDIDZVOV-ZZEZOPTASA-N 371.303 5.398 30 40 FKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 5543173 NMSYRIOMALTWTR-JXMROGBWSA-N 367.788 5.713 30 40 FKEB C(=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1cccnc1 5685079 HFFWOTBQIJSCMN-HZHRSRAPSA-N 356.454 5.318 30 40 FKEB N#Cc1c(SCc2ccccc2F)nc2c(c1C(F)(F)F)CCCC2 8990183 JKESMUUUUWCBJO-UHFFFAOYSA-N 366.383 5.282 30 40 FKEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[C@@H](C(C)(C)C)CC1 17161824 XJSHJNBGPFREKI-ONDHQXCVSA-N 360.414 5.063 30 40 FKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085379 PUQWLAVLLNMJIN-UHFFFAOYSA-N 371.303 5.580 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC 71977165 CSFOHFJQKPEONX-FYWRMAATSA-N 374.436 5.276 30 40 FKEB CCCCCCCCCCCC(=O)NC(=S)Nc1cccc(O)c1 104163448 AONWLIVDVJSNOJ-UHFFFAOYSA-N 350.528 5.126 30 40 FKEB O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccc3ccccc3c1)c1ccccc1-2 104180882 RRKNEVSCOFLPHQ-VHXPQNKSSA-N 350.377 5.898 30 40 FKEB C[C@H]1CCC/C(=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 409177711 ICLHHWRAVWTAKQ-CUQRQBARSA-N 351.290 5.409 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccs1 5547741 PHXFEQHBVBGSJW-QPJJXVBHSA-N 359.790 5.466 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC 6880667 YGNNUUYEIVTDJE-WSDLNYQXSA-N 366.288 6.240 30 40 FKEB CCCCCCCC(=O)N1C[C@H](C)N(C(=O)CCCCCCC)C[C@@H]1C 8443544 QEDNPVHGYVVBRB-PMACEKPBSA-N 366.590 5.155 30 40 FKEB Cc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)s1 32665934 GSUYGJAJERDBMP-VQHVLOKHSA-N 353.399 5.429 30 40 FKEB CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(F)cc3)cc2c1 65532263 DOZKCALWKODJEQ-BJMVGYQFSA-N 355.796 5.322 30 40 FKEB CCCCCCCCCCN/C(CC)=C1/N=C(c2ccccc2)OC1=O 97944447 UQMVQXFANOTMQD-FMQUCBEESA-N 356.510 5.342 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C#N)C1 102173727 YNILPZPGEHGBTC-PNBKFKSVSA-N 370.562 5.536 30 40 FKEB Cc1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)o1 118916288 FAXCDVZHMMFRAL-HMVQLXLLSA-N 366.545 6.583 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 408619112 GBKSZVHFHXPKQS-NTCAYCPXSA-N 373.452 5.167 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3C)c2C)cc1C 408741209 OLCKEFXQQGOZDV-QRVIBDJDSA-N 361.445 5.678 30 40 FKEB C=CCc1cc(C=O)cc(Br)c1OCc1ccccc1Cl 408858533 PXFIOVRWIBQHHG-UHFFFAOYSA-N 365.654 5.223 30 40 FKEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1cccc2ccccc12 409074290 YYWCZGYJQFGPPX-BUVRLJJBSA-N 361.441 5.354 30 40 FKEB Cc1c(/C=N/Nc2ccccc2)c2ccccc2n1Cc1ccccc1Cl 409250391 KUXNNRMTNBSGRV-MFKUBSTISA-N 373.887 6.097 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1Cl 584906149 QFDADRMACCWFJZ-UHFFFAOYSA-N 361.297 5.942 30 40 FKEB C(=N/c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1)\c1ccccc1 4266005 YYSCGMAQIHORLE-QDEZAUSGSA-N 361.448 7.520 30 40 FKEB Cc1cccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C 4292787 NJVCIYYMPMABPL-ULJHMMPZSA-N 366.877 5.420 30 40 FKEB CCOc1ccc(/N=C/C=C/C2=C3N(CCC2)c2ccccc2C3(C)C)cc1 5585856 YDXNMDWOFCKEGS-CSCGLATCSA-N 372.512 6.190 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccc(Br)c1 6338141 AHYQRTIGICDQPT-FNORWQNLSA-N 356.046 5.652 30 40 FKEB COc1cccc(C(=O)/C=C/c2ccc(OC)c(COc3ccccc3)c2)c1 6490768 IETLSRCPQVHUBF-ACCUITESSA-N 374.436 5.179 30 40 FKEB CC(C)(C)n1cnc2cc(/N=C/c3ccc(Br)cc3)ccc21 6708142 HTITWGRWADXRDM-RGVLZGJSSA-N 356.267 5.304 30 40 FKEB CCCCCCCCCCCCCCCCCCCCc1ccccc1 59444910 HPPLZROUJULWGU-UHFFFAOYSA-N 358.654 9.271 30 40 FKEB C/C(=N\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)OC(C)(C)C 89597894 WFJRQYZRLNDGJR-BLLMUTORSA-N 363.499 6.819 30 40 FKEB CCCCCCCCCCCCCCC[C@@H](CCN(C)C)OC(C)=O 100932685 ZELSHWYPFWTLKL-QFIPXVFZSA-N 355.607 6.351 30 40 FKEB CCN1c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[C@H](C)CC1(C)C 113789574 LKLGXXVZJSGBIO-OAHLLOKOSA-N 359.469 5.261 30 40 FKEB Cc1ccccc1Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 408620461 JAKZLXPHEACFSZ-FOCLMDBBSA-N 351.449 5.894 30 40 FKEB CCc1ccccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408961962 WCCOODZTJHRBCT-BUVRLJJBSA-N 359.425 5.277 30 40 FKEB Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 409210960 MCHWUMNTXYDCMH-FYJGNVAPSA-N 368.230 5.698 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(OCC)cc1 1878930 DBVYNMDHRAKEEU-UHFFFAOYSA-O 371.913 5.684 30 40 FKEB COc1cccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)c1OC 9086271 DVLAKVOFEZTJMS-OEAKJJBVSA-N 363.461 5.309 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc([N+](=O)[O-])c1 12558724 NGWWHSQPOWINBO-ZZEZOPTASA-N 371.849 5.197 30 40 FKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 14257488 WBIDVXGJBJFHDZ-PXLXIMEGSA-N 351.475 5.353 30 40 FKEB Cc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 46085323 ACZFAIBDUYDSFL-WUKNDPDISA-N 363.460 6.415 30 40 FKEB CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526160 JJWZNPPHCXYXGZ-UHFFFAOYSA-N 358.479 8.446 30 40 FKEB C[C@@H](/C=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931426 LPFFRMGUWCHBIL-LBDKPTGGSA-N 358.526 5.492 30 40 FKEB O=C1C2=C(c3ccccc31)[C@H](c1ccccn1)Nc1ccc3ccccc3c12 659356 JWEINFGVJDAAFW-DEOSSOPVSA-N 360.416 5.509 30 40 FKEB Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 1436307 UXUVCQINWCTETB-ZMOGYAJESA-N 357.331 5.954 30 40 FKEB C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1cccc(C)c1C 1466386 SAOZNPUQMHBSFS-UHFFFAOYSA-O 351.495 5.258 30 40 FKEB CCCCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 2332906 NIFFZKATRDBDRM-UHFFFAOYSA-N 362.499 5.094 30 40 FKEB C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CCOC(C)=O 31166047 AAPGEKMDLXBUBL-BVMWXJQXSA-N 364.526 5.219 30 40 FKEB biogenic,in-vitro Cc1ccc(-c2cc(/N=C/c3ccccc3Cl)n(-c3ccccc3)n2)cc1 59385258 SHXQQPVADZSAIX-PCLIKHOPSA-N 371.871 6.252 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)[C@@H](CC)CCCC 95785323 XJNUECKWDBNFJV-QHCPKHFHSA-N 368.646 8.227 30 40 FKEB Cc1nc2cc(/N=C/c3ccc([N+](=O)[O-])s3)ccc2n1-c1ccccc1 100147187 YGKXILFIMCTTGY-UDWIEESQSA-N 362.414 5.054 30 40 FKEB CCCCCCCCSC1=NC2(CCCCC2)[C@@H]2CCCC[C@@H]2O1 101528412 DQKVAPVRKSJLIZ-MOPGFXCFSA-N 351.600 6.728 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 408737512 CFUSHDBWMZYNNS-ZVHZXABRSA-N 350.893 6.622 30 40 FKEB Cc1ccsc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 408974505 ARFZPZFUFOCGAC-IPBDZQFASA-N 356.266 5.078 30 40 FKEB C(=N/c1ccc(/N=C/c2c[nH]c3ccccc23)cc1)\c1c[nH]c2ccccc12 1086150 GYOZBLBKIHTMJD-BKHCZYBLSA-N 362.436 6.150 30 40 FKEB N#C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1666846 WRMHSUWVRRMXIN-FGZHOGPDSA-N 370.408 5.259 30 40 FKEB N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 4072599 DRJUMLJUGSIMLR-UHFFFAOYSA-N 351.258 5.058 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 6970862 DLVCKHNISXTRPI-QKLQHJQFSA-N 370.374 5.434 30 40 FKEB Fc1ccc(/N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 16400094 ULLSWQNZMZLLLQ-BPODSWHHSA-N 368.814 6.474 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 102562105 ZKEBFEXLGMHVRU-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB CCCCCCCCCCCCCCn1cnc2c(Cl)ncnc21 104189478 FVINPXVWYUFWLJ-UHFFFAOYSA-N 350.938 6.181 30 40 FKEB Cc1cccc(N/N=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1 408726633 UMPVRTSECIAFJL-DAFNUICNSA-N 370.408 5.153 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(NC(C)=O)cc2)c1C 408960223 JVSSHCJARKTVJG-MFKUBSTISA-N 373.500 5.674 30 40 FKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 409115367 MENFVBHXYYPQQV-UHFFFAOYSA-N 354.664 5.579 30 40 FKEB Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1C 409242125 MIRHFMRXSXGTFH-YSMPRRRNSA-N 356.444 6.196 30 40 FKEB Cc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)s1 856594 RUXWIACIDCNDCO-OAQYLSRUSA-N 366.530 5.895 30 40 FKEB C=CCc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)c(OC)c1 1895965 YMGWDTVEKLHYCL-UHFFFAOYSA-N 374.465 5.888 30 40 FKEB O=C(/C(=C\c1ccccc1Cl)c1nc2ccccc2o1)c1ccccc1 4747051 MEMGHEQTUBTEKF-SAPNQHFASA-N 359.812 5.905 30 40 FKEB CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(F)cc1 5188646 XQSDHWVDSCIDNP-WNSKOXEYSA-N 364.464 5.684 30 40 FKEB CC(=O)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(C)=O)c3)cc2)c1 5283786 KZQODOHARGJSDF-RYQLWAFASA-N 368.436 5.593 30 40 FKEB COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 5586456 GFGGZLZQEAULGS-UHFFFAOYSA-N 366.848 5.548 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(CCCC)cc2)cc1 44842916 BROAETDVZLWVEK-WUKNDPDISA-N 351.490 6.017 30 40 FKEB Cc1ccccc1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O 59566736 GGFYIXIGSUEMHZ-ZROIWOOFSA-N 363.269 5.193 30 40 FKEB Cc1ccc(/N=C2/SCC(C)(C)N2CC(=O)c2ccc(C)cc2)cc1 96402051 WKAVDWIJWYVNCT-LSDHQDQOSA-N 352.503 5.001 30 40 FKEB CCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 100013571 KWMPOGJSYOTMDI-UHFFFAOYSA-N 360.885 5.524 30 40 FKEB Cc1ccc(/N=C2\CCCc3c2[nH]c2ccc(Br)cc32)cc1 978718 HXMJRVNLOYBDMX-DYTRJAOYSA-N 353.263 5.696 30 40 FKEB Cc1[nH]c2ccccc2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)C#N 1463361 RHBOZDJFKMBZKV-IBGZPJMESA-N 354.240 5.578 30 40 FKEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccccc1Cl 2413103 IZRAXCWFQUCNNO-UHFFFAOYSA-N 373.843 5.556 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 5886386 RESKIAYWBUQLTH-WSDLNYQXSA-N 360.348 5.028 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 8371887 PYZHBNURUMOPMZ-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Cc1sc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 9142091 SWOHTRUBXBIHLU-UHFFFAOYSA-N 356.834 5.402 30 40 FKEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc2c(c1)CCCC2 9193353 IAAZWFQREWXGHV-UHFFFAOYSA-N 374.513 5.008 30 40 FKEB CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 40135382 WEHBWYZMNIPVOF-HNNXBMFYSA-N 365.864 5.450 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223586853 DVPCTVQTLWBVBJ-SGMWPGOQSA-N 354.925 6.511 30 40 FKEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408812076 BZQHPRHVHMYXJQ-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 409214126 VWYSOXQBABNUHT-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB CCc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409239113 GKYBRRVVEPGXDA-LPYMAVHISA-N 368.274 6.331 30 40 FKEB Cc1cc(/N=C/c2cc(C)n(-c3ccccc3)c2C)n(-c2ccccc2)n1 3198214 FZOCGRRFWOUQAV-LFVJCYFKSA-N 354.457 5.339 30 40 FKEB FC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1 5461245 KCAXXTCUPGZNLL-FOKLQQMPSA-N 370.334 5.288 30 40 FKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 6063730 JFSFBAKAJZBSFB-FMCGGJTJSA-N 374.411 5.638 30 40 FKEB Cc1ccccc1N1C(=S)N/C(=N\c2c(C)cccc2C)C12CCCC2 13763463 HAUGIIPCLSOFJT-UHFFFAOYSA-N 363.530 5.349 30 40 FKEB Oc1cccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 31854560 LKSQFVCCDKNGGO-UWVJOHFNSA-N 364.257 5.269 30 40 FKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc2ncccc2c1 165657764 SPDNIPYDENAHGH-ZVHZXABRSA-N 357.482 5.682 30 40 FKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc12 226362479 GVFPPXOIQJONIQ-ZRDIBKRKSA-N 372.811 5.780 30 40 FKEB N#Cc1c(/N=C/c2ccc(Br)s2)sc2c1CCCC2 1053451 XRKSGCQRQODSCV-CAOOACKPSA-N 351.294 5.073 30 40 FKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1cccc2ccccc12 4280467 PJNDOPWSXRTVFI-WUKNDPDISA-N 358.440 7.042 30 40 FKEB O=C(O)c1cc(N/N=C/c2ccc(-c3ccccc3)cc2)ccc1Cl 5416138 RGQSZFCJTLRELQ-LPYMAVHISA-N 350.805 5.151 30 40 FKEB Cc1cc2nc3ccc(N(C)C)cc3nc2cc1/N=C/C=C/c1ccccc1 6189407 VAYBBKVNAMBMSY-ZSUUSQSNSA-N 366.468 5.573 30 40 FKEB Cc1ccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2)cc1 25361904 KILCSKPOEFYYHR-RUZDIDTESA-N 369.512 5.224 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)CCCc2ccccc2)c1 26780280 IUJIUKQDBDBSPG-LJQANCHMSA-N 364.533 5.665 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)cc1 165208058 PTMSLLNEHYTIHZ-ZMOGYAJESA-N 370.855 6.036 30 40 FKEB CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1CC 408692003 BDALIWSADSGPDN-HZHRSRAPSA-N 358.445 5.054 30 40 FKEB C=CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 408707035 GJCIKXYECILSKN-UHFFFAOYSA-N 372.218 5.012 30 40 FKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 409052562 KIBMTWFQAPXLAI-DBVLCOFHSA-N 364.430 5.220 30 40 FKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(C)cc3)cc2)c1 409098217 OSKQCWGDUHXFIY-CCEZHUSRSA-N 359.425 5.604 30 40 FKEB Cc1cccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c1C 409214401 XGIXJZBGHIFWIW-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB Cc1cc(C)c(C#N)c(SCC(=O)N(c2ccccc2)c2ccccc2)n1 888420 YIMWIEKUTVKWGT-UHFFFAOYSA-N 373.481 5.027 30 40 FKEB C=CC[n+]1c(-c2ccccc2)csc1Nc1cccc(Br)c1 2676746 OPIKJMFWZJSRHS-UHFFFAOYSA-O 372.311 5.395 30 40 FKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 4475417 ZOITXXRMRSOOIE-KGENOOAVSA-N 350.491 5.102 30 40 FKEB CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C#Cc1ccccc1)(OC(=O)c1ccccc1)C2 4602274 XDDNUZKIVVPKLM-SDUSCBPUSA-N 358.481 5.480 30 40 FKEB COc1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 4981915 VKPGYPQVFVFXAP-AFUMVMLFSA-N 356.469 5.583 30 40 FKEB CC(C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 8618333 ZLOIEMQAPBJQAA-RINAVELBSA-N 361.470 5.180 30 40 FKEB C=C[C@](C)(O)CC[C@@H]1[C@](C)(OC(C)=O)CC[C@@H]2C(C)(C)CCC[C@@]12C 13590768 ATQYAMUGIFHJOX-OCFWJZSCSA-N 350.543 5.268 30 40 FKEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccc(F)cc1 27586237 XQSFDBYHFAWALP-UHFFFAOYSA-N 358.420 5.316 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1 33394588 IBAPMCJLYLGHRH-KOEQRZSOSA-N 369.493 6.313 30 40 FKEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2cc(C)ccc2C)cc1 44844463 PYIRZDPWQSBRRF-OUKQBFOZSA-N 351.446 5.069 30 40 FKEB CCCCCCCOc1cccc(NCCOc2ccccc2C(C)C)c1 100038713 PPMVPEIZGVUJNX-UHFFFAOYSA-N 369.549 6.650 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 100929812 PNSLDFSWGWJLPV-RXSFLLQZSA-N 370.478 5.332 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc1 103012274 NAZZOFZJELIZBW-OQKWZONESA-N 369.465 5.780 30 40 FKEB C=CCOc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1 225868039 BQHZVXMJWJCNPO-UHFFFAOYSA-N 366.530 5.316 30 40 FKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccc(Cl)cc2)cs1 409051920 DHOHUJAJOHHOPG-IFYJTALQSA-N 371.868 6.104 30 40 FKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1 409202230 QMUIGPFVGYWCAB-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)o4)cc3)cc2)o1 721751 LQHGPIKSNIDFGR-RYQLWAFASA-N 368.436 6.658 30 40 FKEB O=C1C(c2cccc3ccccc23)=C(Nc2cccc(F)c2)c2ccccc21 2550131 OOHQPSKWNJBJGN-UHFFFAOYSA-N 365.407 6.156 30 40 FKEB COc1ccc2nc(/N=C/c3ccc(C#Cc4ccccc4)cc3)sc2c1 3039743 FBXIFWFGERNPCE-LFVJCYFKSA-N 368.461 5.455 30 40 FKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)s1 4116463 SFGROOPHDIJGEL-HSZRJFAPSA-N 373.521 6.410 30 40 FKEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl 59678757 QLDSIBBVRRTIMO-WSDLNYQXSA-N 373.239 5.321 30 40 FKEB CCCC(=O)Nc1cc(Cl)c2nc(N/N=C(/C)CC)sc2c1Cl 72229001 IZMGRVDQBWYBLF-ZBKNUEDVSA-N 373.309 5.540 30 40 FKEB CCCCCCCCNCc1cc(Br)c(OC)c(OCC)c1 102561767 NDVIAERECZMRIZ-UHFFFAOYSA-N 372.347 5.307 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NCCOC(C)=O 104053496 KZCWRQOHSWMDMW-UHFFFAOYSA-N 369.590 5.927 30 40 FKEB Cc1ccccc1NC(=O)Nc1sc(=S)c2c(c1C#N)CCCC2 104218945 JYPKYPZLYMZQLZ-UHFFFAOYSA-N 355.488 5.180 30 40 FKEB C(/C=C/Nc1ccc(-c2ccccc2)cc1)=N/c1ccc(-c2ccccc2)cc1 104313270 NMTVOLGEUFUEOW-MMVYTCBNSA-N 374.487 7.349 30 40 FKEB Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1cccc2ccccc12 225879627 XDKLKGUMNZKQHN-UHFFFAOYSA-N 353.425 5.244 30 40 FKEB CCCCCOc1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 245241618 LFCILKXAGDEZHB-UHFFFAOYSA-N 372.538 5.066 30 40 FKEB COC(=O)c1ccc(C=Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 254385865 PCZJQGWRZVQKJD-UHFFFAOYSA-N 370.408 5.340 30 40 FKEB CSc1ccccc1/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408937393 QODAIYNFWXUXFD-YDZHTSKRSA-N 360.404 5.969 30 40 FKEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939895 IUWNQPXBBOCRGW-YDZHTSKRSA-N 366.848 5.065 30 40 FKEB CCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1 409080487 ICZWYDVSFGMNHD-HATACVMWSA-N 372.877 5.060 30 40 FKEB c1ccc2c(c1)C(=NN=C1c3ccccc3-c3ccccc31)c1ccccc1-2 1704063 CDFOTCFVFKFICX-UHFFFAOYSA-N 356.428 5.937 30 40 FKEB Oc1c(/C=N/c2ccc(Cl)cn2)cc(Br)c2ccccc12 2266778 TUGOUMQGISEBSN-UFWORHAWSA-N 361.626 5.107 30 40 FKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O 2267947 UTCNAIJCKJGPQF-UHFFFAOYSA-N 363.501 5.002 30 40 FKEB N#CCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3438223 BWBUHFGSRLDRFZ-UHFFFAOYSA-N 364.832 5.406 30 40 FKEB Cc1[nH]c2cccc(N/C(=C/C(=O)c3ccccc3)c3ccccc3)c2c1C 4710394 HLIRVAMBQPVTRB-XQNSMLJCSA-N 366.464 6.121 30 40 FKEB Fc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 8811751 HEWNKGRDFOXUFK-AFUMVMLFSA-N 368.839 5.182 30 40 FKEB CCCCOc1ccc(/C=N/N=C(/S)Nc2cc(C)ccc2C)cc1 13468832 OSLLBUDVJVTNNB-KGENOOAVSA-N 355.507 5.214 30 40 FKEB C=CCn1c(C)c(/C=C2\SC(Nc3ccccc3)=NC2=O)c2ccccc21 17299700 WXQZTCXBFUFCLV-ZHZULCJRSA-N 373.481 5.218 30 40 FKEB COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)C1=O 73311509 ZMWPUCGPHZVIMQ-VLCIQMGPSA-N 374.521 5.140 30 40 FKEB O=C1/C(=C\c2ccc(O)c(Cl)c2)CC/C1=C/c1ccc(O)c(Cl)c1 84335032 GHXHTBMFAPVGLX-PVRNWPCDSA-N 361.224 5.235 30 40 FKEB C(=N\c1ccc(-c2ccc(/N=C\c3ccccc3)cc2)cc1)\c1ccccc1 100058304 QUDPDXGSAOZKNW-RSSRHXQMSA-N 360.460 6.855 30 40 FKEB CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 408974874 HUKZRNIJCSAJAK-SRZZPIQSSA-N 353.447 5.281 30 40 FKEB CC(C)CN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 409081027 PCHYXFGFBIODBC-NIQTYAIASA-N 360.866 5.193 30 40 FKEB COc1cccc(Oc2ccc(N/C(C)=C/C(=O)c3ccccc3)cc2)c1 409099651 SNSRQZBHEFGKDL-BMRADRMJSA-N 359.425 5.686 30 40 FKEB CCCCCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357469 LVAMXXXHDQKFSU-UHFFFAOYSA-N 372.324 6.215 30 40 FKEB CCCCCCCCOc1ccc(/C(=N\O)c2ccc(N(C)C)cc2)cc1 3013904 OCSFGACYPIXHSF-VHXPQNKSSA-N 368.521 5.719 30 40 FKEB N#Cc1c(-c2ccc(Cl)cc2)ccnc1Oc1cccc(C(F)(F)F)c1 4053728 UUDARFGBFIDLAJ-UHFFFAOYSA-N 374.749 6.085 30 40 FKEB CCOc1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)cc1 6308813 WXJHZNUCTVURPU-UHFFFAOYSA-N 370.456 5.625 30 40 FKEB N#Cc1cc2c(nc1SCc1ccc(Cl)cc1Cl)CCCC2=O 6925734 AXLAFYPIEAPXQF-UHFFFAOYSA-N 363.269 5.071 30 40 FKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1Cl 6961586 RHPPIYGXJNUMPI-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 59224242 KSVGMRNEQYOMFD-IUXPMGMMSA-N 367.861 5.021 30 40 FKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(F)cc1 409104152 FFTAKHPUDRXSKR-BUHFOSPRSA-N 367.807 6.080 30 40 FKEB O=C(Oc1ccc(/C=N/c2cccc3ccccc23)cc1)c1ccccc1 2832008 BDTLYTFMDSMZMB-KOEQRZSOSA-N 351.405 5.810 30 40 FKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(Cl)cc1 5551032 BNEPXUFKHHSYHK-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB CCOc1cc(Cl)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 6387507 AMBXLGSJCWYTJT-HYARGMPZSA-N 358.869 5.185 30 40 FKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 6962425 UPRIVILXFJDQLP-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(C#N)cc2)cc1 7758364 NQLPLJFEIKAEMY-UHFFFAOYSA-N 358.397 5.002 30 40 FKEB Cc1ccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)cc1 10118712 NOZFTXQJHFJYSS-MFKUBSTISA-N 364.876 5.351 30 40 FKEB C[C@@H]1CCc2sc(/N=C/c3ccccc3Br)c(C#N)c2C1 97831967 NGEMITCMSXKGDN-JZOCJUILSA-N 359.292 5.258 30 40 FKEB Oc1ccccc1/C=N\c1ccc2nc(SC3CCCC3)sc2c1 104213462 SXLSRNLUMQZPMQ-NDENLUEZSA-N 354.500 5.787 30 40 FKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cccnc1 104358615 CGYQQYYNCUVRKC-HSZRJFAPSA-N 362.602 6.138 30 40 FKEB CCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1 169955072 DMAOCHILYOKXBU-JCMHNJIXSA-N 365.502 5.825 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)cc1 408758464 KKNKNVZTUNHUNP-QRVIBDJDSA-N 352.865 5.766 30 40 FKEB Cc1ccc(Oc2ccc(Cl)cc2CN=c2cc[nH]c(C#N)c2)cc1C 1776004912 RCEDVBQAKBAKBJ-UHFFFAOYSA-N 363.848 5.050 30 40 FKEB C=C(CC(=O)OC[C@H](CC)CCCC)C(=O)OC[C@@H](CC)CCCC 4933561 CGNRQCGWXXLTIA-MOPGFXCFSA-N 354.531 5.452 30 40 FKEB in-vitro Clc1ccc(Cl)c(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1 5458410 ZEXCXTZLDSKQBP-UFFVCSGVSA-N 371.227 5.576 30 40 FKEB CCCCC[C@@H](F)/C=C/[C@H]1CC/C(=N\O)[C@@H]1CCCCCCC(=O)O 5792625 LQQORSBLZLAVKX-CGAXLLMCSA-N 355.494 5.743 30 40 FKEB biogenic COc1ccc(C/C(C)=N/N=C(/S)Nc2ccc(C(C)C)cc2)cc1 8687925 RNQAPTVYVQVTDO-PXLXIMEGSA-N 355.507 5.135 30 40 FKEB O=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1Cl 16921126 YTNQSBFMJJGHGY-WSDLNYQXSA-N 361.788 5.100 30 40 FKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 27584578 CPUHUXBXNVDZMB-UHFFFAOYSA-N 363.482 5.468 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223110024 DTXJKLBSPAEMMJ-NRFANRHFSA-N 365.542 5.725 30 40 FKEB CC[C@H](C)n1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 408595008 VHZSOIOHEJXVCE-NGZBARDMSA-N 351.406 5.071 30 40 FKEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(F)cc1 409117826 OJQGASYPSJDANB-UHFFFAOYSA-N 374.506 5.125 30 40 FKEB C[C@H](Nc1oc(Cc2cccc3ccccc23)nc1C#N)c1ccccc1 2428196 KXVVKLBUXNNADQ-INIZCTEOSA-N 353.425 5.463 30 40 FKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(CC)cc1)C(=O)N3C(C)(C)C=C2C 4740316 ZQMPWALJBXRTIA-NJNXFGOHSA-N 374.484 5.311 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 5234232 SHMDHZYSFIUQPN-DHZHZOJOSA-N 363.369 5.068 30 40 FKEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCC 6959611 GFIIXVYCMJQPFD-UDWIEESQSA-N 362.267 5.306 30 40 FKEB Cc1ccc(Cn2cc(/C=N/c3oc(C)c(C)c3C#N)c3ccccc32)cc1 6966041 SITUDNVMGRIILJ-LGJNPRDNSA-N 367.452 5.830 30 40 FKEB O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccccc2)cc1 11868067 ZZYSEPBLFKLCMO-NTCAYCPXSA-N 362.812 5.455 30 40 FKEB C/C(=N/c1cccc(/N=C(\C)c2ccc(C)c(C)c2)n1)c1ccc(C)c(C)c1 13003008 KEDNRWKAMBSKET-QRNPONQASA-N 369.512 6.597 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 17076033 XWHXPYQCXSTRNM-PVTBXJRFSA-N 370.905 5.662 30 40 FKEB Cc1nc(N)c(C#N)c(-c2cccc(Cl)c2Cl)c1-c1ccccc1 34954188 OFNIPNCBWIKELF-UHFFFAOYSA-N 354.240 5.485 30 40 FKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OCCCC 95740488 FEXXLIKDYGCVGJ-RTWAWAEBSA-N 354.575 6.578 30 40 FKEB CCCCCCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1 98048371 OIZYMLUXRRCJFH-UHFFFAOYSA-N 364.489 6.315 30 40 FKEB FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526372 QQFJSOJCICKXNM-UHFFFAOYSA-N 366.092 5.432 30 40 FKEB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C#N 225854732 HZKZHDOELJREQM-VGOFRKELSA-N 372.509 5.051 30 40 FKEB Cc1cc(C)cc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)c1 1473002 BWJJSQKQCCUGFB-UHFFFAOYSA-N 354.457 5.843 30 40 FKEB CC(C)(C)C(/C=C/c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17206881 MCNFQUFLMJYHTB-AJYLUSLFSA-N 368.393 5.030 30 40 FKEB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253500147 XYGMEFJSKQEBTO-UKJQBEKQSA-N 364.913 5.017 30 40 FKEB biogenic CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Br)c(C)c2)C1 408564252 XJDJSAKLKHSPTG-ZQHYZAEZSA-N 364.327 5.859 30 40 FKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408942374 XOSIUUIUJOYHTJ-FSJBWODESA-N 373.334 5.463 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 8084986 OWQXKEMHFICYEY-HZHRSRAPSA-N 360.413 5.487 30 40 FKEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)Oc1ccccc1 13850306 NDMYLXAWSLMSJS-OAHLLOKOSA-N 369.465 5.036 30 40 FKEB CCCc1sc(C(=O)/C=C/c2cccc(OC)c2)cc1Br 36611177 PWXBSEWDTCKYKP-CMDGGOBGSA-N 365.292 5.368 30 40 FKEB COc1ccc([C@@H]2CC(O)=C/C(=N\c3ccc(Br)cc3)C2)cc1 104160674 AVSXKNASYVAHPL-NNLSSIJJSA-N 372.262 5.550 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)(C)C(=O)O 104345189 XFLXJCCWLJSPFC-VAWYXSNFSA-N 367.574 6.003 30 40 FKEB CCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 408628846 DIYLPLFTRNRIFW-INIZCTEOSA-N 366.530 5.585 30 40 FKEB CC[C@H](C)N1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 408916054 UFTUEHCUGNQNPV-OTFYDCBPSA-N 366.486 5.103 30 40 FKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cccc(Cl)c1Cl 408991260 PYUCEHNFRCDACD-JYRVWZFOSA-N 367.232 5.024 30 40 FKEB COc1ccccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409220582 BTRZVWSNJNHGTD-MYYYXRDXSA-N 358.416 5.588 30 40 FKEB CC(C)(C)C(=O)c1sc(Nc2cccc(C(F)(F)F)c2)c(C#N)c1N 1026236 CSHQDNWOIVZSEI-UHFFFAOYSA-N 367.396 5.193 30 40 FKEB c1csc(-c2nc(/N=C3\CCCCCN3)sc2-c2cccs2)c1 2659635 LMEPGIIGVMGGGE-UHFFFAOYSA-N 359.545 5.794 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(F)cc3)C2=C(O)C1 5690316 KDGGFLQIMUHKOL-IBGZPJMESA-N 367.464 5.639 30 40 FKEB FC(F)(F)c1cnc(N/N=C/c2cccc(Cl)c2Cl)c(Cl)c1 6078315 GTFMMOLKBFPDKO-IGCPIRJNSA-N 368.573 5.507 30 40 FKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)c1 8367995 FUDHCIHSTGITMF-DHRITJCHSA-N 367.851 6.426 30 40 FKEB C/C(=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)s1 38202864 IHHFSCZRAKRNPZ-WSVATBPTSA-N 363.748 5.165 30 40 FKEB C=CCc1cc(/C=N/c2ccc(Br)c(C)c2)cc(OCC)c1O 59249344 PYIFHWCVIFCXLR-CIAFOILYSA-N 374.278 5.341 30 40 FKEB COc1cc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1O 59483140 WHNCOZZAMYEKPP-BUVRLJJBSA-N 369.424 5.004 30 40 FKEB C[C@@H](Oc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1)C(=O)O 59678595 KLZQVDOONOQTGG-LGVXEURYSA-N 351.446 5.337 30 40 FKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccccc2)sc2c1CCCC2 408849309 WANORCXFEGRUTP-HAHDFKILSA-N 360.482 5.630 30 40 FKEB CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409077558 GASWOPNRARFDAA-GCMSVZMUSA-N 366.530 5.920 30 40 FKEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 409100308 UZJDZWGMCAEDGW-UHFFFAOYSA-N 355.894 5.428 30 40 FKEB Clc1cccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)c1 3060213 RFRGNDGTYDINLD-FKORGFIESA-N 358.828 6.564 30 40 FKEB O=C1/C(=C/c2cccnc2)S/C(=N\c2ccccc2)N1C1CCCCC1 8644185 STTITXBGKXWPOC-IVTNFPRSSA-N 363.486 5.018 30 40 FKEB Clc1ccc(-n2cccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 59247904 QDQWAIOSPXOGCR-XIEYBQDHSA-N 371.871 6.303 30 40 FKEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc2ccccc2c1 225055272 NRBFGBHFHPJJDM-UHFFFAOYSA-N 371.889 5.183 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 408740694 DILBDIFXXHSKIG-MFKUBSTISA-N 374.484 5.755 30 40 FKEB C=CCN(C(=O)Nc1cc2ncccc2c2cccnc12)c1ccccc1 408973819 BYPQDUHTSUGBJY-UHFFFAOYSA-N 354.413 5.008 30 40 FKEB C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1ccc(Cl)cc1 1455089 LLMZALSRBZIVTI-UHFFFAOYSA-O 357.886 5.294 30 40 FKEB Cc1c(/N=C/c2cc(Cl)ccc2O)cccc1-c1nc2ccccc2o1 4150559 XZULAULRTBVWMP-FSJBWODESA-N 362.816 5.913 30 40 FKEB Brc1ccc2nc(-c3ccco3)c(/N=C/c3ccccc3)n2c1 6554091 OKJLQPNPVRPKPZ-RGVLZGJSSA-N 366.218 5.107 30 40 FKEB COc1ccc(C2=C(Nc3ccc(C)c(F)c3)c3ccccc3C2=O)cc1 6824656 NMULGGWGVQDVQY-UHFFFAOYSA-N 359.400 5.319 30 40 FKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 6962584 XDFNICPJEJDMSJ-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB CCCCCCCOc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 98048813 QNECLWQYCOGVPE-UHFFFAOYSA-N 370.880 6.406 30 40 FKEB Oc1c(/C=N\c2ccc(/N=N/c3ccccc3)cc2)ccc2ccccc12 100248469 IFTWYXOICQEYGR-SFFYKXJYSA-N 351.409 6.711 30 40 FKEB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225798712 MBQARKWGAGZMOO-UHFFFAOYSA-N 374.525 5.009 30 40 FKEB COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)ccc1O 409382232 ZJHGAOXLIZYSLE-FSJBWODESA-N 374.352 5.136 30 40 FKEB Cc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 6302298 VTMYVKFZXWVDPN-HNNXBMFYSA-N 352.503 5.332 30 40 FKEB N#CCC[C@H](C#N)CSc1ncnc2scc(-c3ccc(F)cc3)c12 12912616 XLPMCCOLPHOKSE-GFCCVEGCSA-N 368.462 5.033 30 40 FKEB C(=N/c1ccccc1)\C1=C(c2ccccc2)/C(=C/Nc2ccccc2)CC1 16480890 KLFRQLRBVABXEY-FYLJGWAWSA-N 350.465 6.633 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NC1CCCCC1 18116398 UFBNWZVIMRSRBK-UHFFFAOYSA-N 353.469 6.032 30 40 FKEB N#Cc1ccccc1NC(=S)N1CC=C(c2cccc3ccccc23)CC1 63565689 QOIBXJCPSZFINZ-UHFFFAOYSA-N 369.493 5.198 30 40 FKEB CCOc1ccc(/C=N/c2cccc3c(-c4ccccc4)ccnc23)c(O)c1 103748674 VTJNGEDDRMBIIK-WGOQTCKBSA-N 368.436 5.757 30 40 FKEB Cc1ccc([C@@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2)cc1 225509424 XQDXPVZRSXAUMJ-QFIPXVFZSA-N 371.509 5.137 30 40 FKEB COc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 409214833 ZESIEOFWQQLADM-UCQKPKSFSA-N 351.833 5.678 30 40 FKEB CCN(CC)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409229377 ODRPLIXPMNHPKI-XIEYBQDHSA-N 374.553 6.743 30 40 FKEB FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)s2)cc1 671864 BMNSPMPBFKXKTK-REZTVBANSA-N 350.159 5.160 30 40 FKEB COc1cccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)c1 3117072 CRYXUFHMSFMMSZ-XWJCGCQVSA-N 354.409 5.919 30 40 FKEB Cc1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)c(C)c1 4898527 GCEZCCCPOWYXJH-SSDVNMTOSA-N 364.401 5.293 30 40 FKEB Cc1ccc(C)c(NC(=O)CCC(=O)[C@H](C#N)c2cccc3ccccc23)c1 6486893 IIUBCJNFBHMNJO-OAQYLSRUSA-N 370.452 5.052 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(F)cc1 14671945 JHOFVKMDIHKCSI-FQEVSTJZSA-N 353.462 5.728 30 40 FKEB CCCC(=O)Nc1cc(Cl)c2nc(NN=C(C)C)sc2c1Cl 72228995 WNTZJHTYIXJKKX-UHFFFAOYSA-N 359.282 5.149 30 40 FKEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327030 LZLQALZIOOEIOZ-UHFFFAOYSA-N 369.631 5.016 30 40 FKEB O=C(c1ccc(SC(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F 575360305 BFKFPJITJPETQV-UHFFFAOYSA-N 374.199 5.314 30 40 FKEB C=C1CC[C@H]2[C@H](OC)c3cccc(O)c3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2037844540 WOQQFVWLTCXRJH-UGLIKIROSA-N 356.506 5.640 30 40 FKEB COc1ccc(/C=N/N=C/c2ccc(OC)c3ccccc23)c2ccccc12 2058016 DGGJELVUDZMZCT-RYQLWAFASA-N 368.436 5.463 30 40 FKEB C=CCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 3350683 MNPMCWJJXCGBTJ-UHFFFAOYSA-N 372.852 5.435 30 40 FKEB CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1 3908875 VAPAOKBCGGZGCD-LBPRGKRZSA-N 371.506 5.134 30 40 FKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 97939856 PSXREHVUYXXTHR-GOSISDBHSA-N 367.489 5.363 30 40 FKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(N(C)C)cc3)cc21 223523713 XPLZFIYWSFKOPH-OYKKKHCWSA-N 367.924 5.788 30 40 FKEB C=CCOc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 225519943 RPWXKJFRUAVESP-UHFFFAOYSA-N 374.509 5.327 30 40 FKEB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N 225760095 OFGZGTKMOZVNHE-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 409010295 BVRHBKVDEXNJQD-WTJYETQFSA-N 350.893 6.703 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(C(C)(C)C)cc1 409096868 MINQAFNYNCVVAF-JLPGSUDCSA-N 366.505 5.352 30 40 FKEB Cc1cccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1C 409208875 DVCMYOPEWYWVHN-UCQKPKSFSA-N 360.413 5.541 30 40 FKEB COc1cccc(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1O 3099882 LDDVWSFLGVJYJN-YDZHTSKRSA-N 355.478 5.452 30 40 FKEB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)COc2ccccc21 3333831 OZERZNPDQHYVPM-ZRDIBKRKSA-N 371.219 5.912 30 40 FKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1Cl 5543169 KZBUIXHKRFYPKX-CSKARUKUSA-N 357.236 6.458 30 40 FKEB N#Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)oc(-c2ccco2)c1-c1ccco1 5770417 XUCCHZWFBFMAQV-WSDLNYQXSA-N 373.324 5.330 30 40 FKEB FC(F)(F)c1ccc(/N=C(\S)SCc2ccc(Cl)cc2)cc1 6512357 ZNTHYMJOSLLYEP-UHFFFAOYSA-N 361.841 6.210 30 40 FKEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OC/C=C/c3ccccc3)ccc21 9421048 COKMRLJZWHXHMB-ZYPUKPEJSA-N 372.395 5.534 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)CCCC(C)C)[C@H]3C[C@H]12 12661641 RINUGOBJPTXRGQ-OLCADEQVSA-N 361.570 5.105 30 40 FKEB Brc1cccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1 408722596 LRFINOMMGZBNMH-RGVLZGJSSA-N 369.287 5.422 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c([N+](=O)[O-])c1 408752598 FDXTVPAGSZQXQP-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB C=CCn1c(SCc2nc3ccccc3s2)nnc1C1CCCCC1 3277360 XHYNMDBPUWXMTN-UHFFFAOYSA-N 370.547 5.414 30 40 FKEB C=CCSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5562124 YAJCPTCCKYRHOC-UHFFFAOYSA-N 371.937 5.934 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 8116569 XUACQQGKAZJJLR-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB CCCCCCCCCCCCCCCCn1cc[n+](C/C=N/O)c1 100749837 YKRNNVXGGHJZBQ-CJLVFECKSA-O 350.571 5.717 30 40 FKEB CCCCCCCCCC/C=C\CCCCCCCCCCCCC 169622551 MOUCJPJOGTYNTQ-LNVKXUELSA-N 350.675 9.775 30 40 FKEB Cc1ccc([C@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2)cc1 225509459 XQDXPVZRSXAUMJ-JOCHJYFZSA-N 371.509 5.137 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccccc1 408768368 FOCBGHKRKCSRHG-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)c(Cl)c2)c1C 408850662 QMRRDBSOYNCRQW-DHRITJCHSA-N 368.883 6.508 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2100488 YFMSIVMSEGIVCP-HTVUKHQJSA-N 358.522 5.086 30 40 FKEB biogenic,in-vitro C=C(C)Cn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033411 ZLMCNHJGTDJAKL-LJQANCHMSA-N 373.500 5.058 30 40 FKEB C[C@H](C[C@@H](C#C[C@@H](C[C@@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410109 MFHYGSPZCFBNNN-YSFYHYPLSA-N 364.662 5.775 30 40 FKEB Cc1c2ccccc2c(/C=N/Nc2nc3ccccc3s2)c2ccccc12 6188522 DHVQJLGHTHYCSI-ZVHZXABRSA-N 367.477 6.357 30 40 FKEB CC(C)c1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 13756079 SGPIMWKYZXBMTE-UHFFFAOYSA-N 351.519 5.257 30 40 FKEB CN(c1ccccc1)c1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59483051 WXDKNXOIHSMJGI-PXLXIMEGSA-N 358.470 5.510 30 40 FKEB Cc1ccc2c(c1)-c1ccccc1/C2=N/c1ccc2c(c1)Cc1ccccc1-2 100133498 ZGWSRQNDLJAPSO-DQSJHHFOSA-N 357.456 6.716 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 101030877 VYYCHCVRCXNTGT-MFKUBSTISA-N 367.452 5.399 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(Br)cc2)c(OCC=C)c1 3660953 JIRFQXSSGIIHNV-KGENOOAVSA-N 372.262 5.329 30 40 FKEB Cc1ccc(/N=C(/S)SCc2ccc(Cl)c(Cl)c2)cc1C 6488085 HHZRVOYYHLMNDX-UHFFFAOYSA-N 356.343 6.461 30 40 FKEB O=C(Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1)c1ccccc1 13987730 CLDRRCVYIHWHOC-CCEZHUSRSA-N 368.388 5.548 30 40 FKEB CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC 100051428 TYLNXKAVUJJPMU-DNKOKRCQSA-N 356.550 7.027 30 40 FKEB in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C#N)[C@@]4(C)CC[C@@H]32)C1 118925808 HFAXZVGIGZBGQV-BSVQJXIHSA-N 369.549 5.657 30 40 FKEB COc1cc(C)c(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)cc1OC 408548372 GZRWJMNKHSLFBU-BUVRLJJBSA-N 361.441 5.864 30 40 FKEB O=[N+]([O-])c1ccc(Sc2ccccc2)c(/C=N\c2ccc(O)cc2)c1 409109458 FGVMQPFAECYXEF-MOSHPQCFSA-N 350.399 5.202 30 40 FKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(C)cc2C)c1 409217958 GFOKZLUOLHJSLD-MFKUBSTISA-N 372.468 5.380 30 40 FKEB Cc1ccc2nc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c1 1444175 FAEAEOLFGZUQER-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB COc1ccc([C@@H]2C=C(c3ccccc3)S[C@@]3(S)CCCC[C@H]23)cc1 3893922 XBNFAXGTIQLGTL-VWPQPMDRSA-N 368.567 6.383 30 40 FKEB O=C(/C=C/c1ccccc1)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 13406626 AQUDAQATXWUGHF-SIJTWYJSSA-N 354.405 5.202 30 40 FKEB FC(F)(F)c1cccc(/N=C\C=C\Nc2cccc(C(F)(F)F)c2)c1 100470410 RZUIQNCSIZJPGE-SEDINMGRSA-N 358.285 6.052 30 40 FKEB CCCCCCCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 103018415 RRKLZXMMABYVRU-UHFFFAOYSA-N 358.413 5.499 30 40 FKEB S=C1SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 104311281 NZMXBTYRQWCQMS-XOODDYIFSA-N 373.506 5.985 30 40 FKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C 208215711 WYLOEMSAXBOJMI-IKMPRTQCSA-N 366.465 5.071 30 40 FKEB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C#N 225854776 HZKZHDOELJREQM-HTAPYJJXSA-N 372.509 5.051 30 40 FKEB CCCCCCCc1ccc(N=Cc2ccc(OCCCC)cc2)cc1 256072354 IHFLHVDMHFOGCO-UHFFFAOYSA-N 351.534 7.129 30 40 FKEB N#CCc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408915235 YSFWNCNMAXZJBW-LTGZKZEYSA-N 372.855 5.585 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)c1 408966396 LIXOLNDIROHKNV-ZVHZXABRSA-N 364.420 5.161 30 40 FKEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@H]3CC[C@@]21C 504753017 BKNXOKQXQDHUJC-GSZVYYIFSA-N 368.517 5.025 30 40 FKEB C/C(=N\Nc1oc(C)nc1C#N)c1ccc(-c2ccccc2Cl)s1 585145891 NEXPTSZFBKJMRS-UFFVCSGVSA-N 356.838 5.073 30 40 FKEB O=C(/C=C/c1ccc(Br)cc1)/C=C/c1c[nH]c2ccccc12 4293424 OZBBUNKMZHVKAX-MKICQXMISA-N 352.231 5.226 30 40 FKEB CC(/C=C1\S/C(=N\c2ccc3ccccc3c2)NC1=O)=C\c1ccccc1 5551483 QZDAVWBTFBCETQ-CQPDGHCISA-N 370.477 5.678 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)c(C)c1 8368844 ZCOVUFHJEXOHRE-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB CCCCCCCC(=O)N1C[C@@H](C)N(C(=O)CCCCCCC)C[C@@H]1C 8443546 QEDNPVHGYVVBRB-BGYRXZFFSA-N 366.590 5.155 30 40 FKEB CCOc1ccccc1/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O 9576380 LAEYXDCQGHBVEJ-BKUYFWCQSA-N 350.414 5.047 30 40 FKEB biogenic O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc([N+](=O)[O-])s1 100052057 WNARGGPVJIPZNG-RGVLZGJSSA-N 370.817 5.291 30 40 FKEB CSc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101474993 UJPKLPTZAUYNSX-UHFFFAOYSA-N 370.236 5.059 30 40 FKEB Cc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1 225880247 DQUKLULSTLXOIU-UHFFFAOYSA-N 353.425 5.244 30 40 FKEB CCCCCCCCNC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408974594 BSDJEKPRJUXTLL-UHFFFAOYSA-N 374.488 5.355 30 40 FKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(F)cc3)cc2)cc1 409095061 HBTCXXLAWQDEPB-CCEZHUSRSA-N 363.388 5.435 30 40 FKEB Cc1cccc(/C=C(/C(=O)c2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1 5696226 VDCBVBITSNBZRC-UYRXBGFRSA-N 372.855 5.948 30 40 FKEB COc1ccc(C(=O)/C(=C\c2ccccc2)c2nc3ccccc3o2)cc1 12377933 KHLSYZQNPWIWAE-XDJHFCHBSA-N 355.393 5.260 30 40 FKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 13787050 YDHZHPHCWKCMAV-QRVIBDJDSA-N 372.395 5.664 30 40 FKEB CN(C)CCC(/C=C/c1ccccc1)=N/Nc1ccc(Cl)cc1Cl 17194744 JMKLZKURDRCDFN-WFYDHWLWSA-N 362.304 5.426 30 40 FKEB CCCCOc1ccccc1/C=N/N=c1/[nH]c(-c2ccccc2)c(C)s1 59193817 XYZKHBZKKWUWNB-PXLXIMEGSA-N 365.502 5.165 30 40 FKEB Nc1ccc(C(=O)c2ccccc2)cc1/N=C1\C=C(O)C[C@H](c2ccco2)C1 104083000 LYZKIWPDQXMLEE-ATAOFQGQSA-N 372.424 5.185 30 40 FKEB C=CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1Br 409115067 IFIAFYAFZZGRIC-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB Clc1ccc(OCc2cccc3ccccc23)c(/C=N/c2ccccc2)c1 409208936 DKSITILKKKTKMQ-WGOQTCKBSA-N 371.867 6.823 30 40 FKEB CC(C)(C)[C@@H]1C/C(=C/c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 585178785 IZTXEWAUTXHSMX-ICUWXCOMSA-N 366.451 6.457 30 40 FKEB COc1ccc(C(=O)Oc2ccccc2/C=N/c2ccc(Cl)cc2)cc1 704568 ROTQELREBYTHLO-OEAKJJBVSA-N 365.816 5.318 30 40 FKEB COc1ccc(CNc2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)cc1 2405861 POELYCIJNQBTCZ-UHFFFAOYSA-N 361.445 5.131 30 40 FKEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)cc1Cl 4924450 BIXSOGYNSGSFLB-UFWORHAWSA-N 357.624 5.181 30 40 FKEB CCc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 5551627 QITCVXCJNAQNPO-ZHZULCJRSA-N 358.466 5.294 30 40 FKEB CC[C@@H]1CS/C(=N\c2ccccc2C)N1C(=S)NC1CCCCC1 6542217 FYCKZRHOYVJXSM-BSBNDGSWSA-N 361.580 5.017 30 40 FKEB Cc1cc(C)c(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)cc1C 7587298 DHOSYLUIMDKQAL-JXMROGBWSA-N 364.514 5.413 30 40 FKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 8084523 AGIASHAZOFCBTM-MFKUBSTISA-N 363.888 6.540 30 40 FKEB CCCCCCCNC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 98045557 IXZVGIUTWRRCOH-UHFFFAOYSA-N 364.489 5.969 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223110083 DTXJKLBSPAEMMJ-OAQYLSRUSA-N 365.542 5.725 30 40 FKEB C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1ccc(N2CCOCC2)o1 409016418 CKQTUQXKCFVROY-LFVJCYFKSA-N 372.424 5.280 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)=O)cc3)c2C)cc1 409190598 SPAGPFJAFSHORU-BUVRLJJBSA-N 360.457 5.446 30 40 FKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccccc2F)c1 409200713 ISBZCXNCOPQNFL-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H]1CO1 2298284718 XSSQDZHOZAHNGJ-NRFANRHFSA-N 353.465 5.991 30 40 FKEB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2084420 GCOKZAPIFFDGBD-CABCVRRESA-N 360.567 5.926 30 40 FKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(C2CCCCC2)cc1 5047293 HVOQVGMMQMLTQV-NTUHNPAUSA-N 359.296 6.937 30 40 FKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1C 409213304 UHYFLZNFZBLFED-DHRITJCHSA-N 367.851 6.426 30 40 FKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@@H]12 1889191905 BXEKJWVUCNPPSL-QTQFNMCYSA-N 362.557 6.682 30 40 FKEB COc1ccc(/C=C/C(C#Cc2ccccc2)=N/Nc2ccccc2)cc1 4481571 FNOXCFKXKGIVBK-XLUJUGSCSA-N 352.437 5.228 30 40 FKEB C=CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 8554720 WCKVDKLAEURXNV-UHFFFAOYSA-N 356.636 5.464 30 40 FKEB C=CCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10119134 RNZQJBZTSGTTPE-BUVRLJJBSA-N 350.849 5.182 30 40 FKEB C(/N=C/C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 17421849 HDDVPUSEVBKLHY-XHLNEMQHSA-N 373.499 6.979 30 40 FKEB CCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 100128473 PQXJYRGZFLHSAK-LKUDQCMESA-N 351.534 7.129 30 40 FKEB F/C(=C(\F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 113564643 UAEWLONMSWUOCA-UPHRSURJSA-N 350.049 5.168 30 40 FKEB O=C(/C=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 408617661 BAGOXHRZYUOAKJ-NTCAYCPXSA-N 371.867 6.239 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1Cl 409215776 ATIJCRPWLAZSMJ-IFRROFPPSA-N 372.635 5.169 30 40 FKEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCC2 2095365 IWVVRIRGYLNHPD-GOSISDBHSA-N 368.502 5.075 30 40 FKEB CCCc1nc2sc(C(=O)OCC)c(/N=C/OCC)c2c2c1CCCC2 2254799 LKRVYBBFZNTWIJ-CIAFOILYSA-N 374.506 5.001 30 40 FKEB N#Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 2623160 FVJLLZNLZPMKOH-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 4154780 BGQGRUBDTCTPNA-NTCAYCPXSA-N 371.436 5.152 30 40 FKEB CCCc1sc(N/N=C/c2ccc(OC)cc2)nc1-c1ccccc1 4409954 RYFSQPUGAMWQHB-KGENOOAVSA-N 351.475 5.217 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(F)cc1 4739250 IJCKHUDENHDSFG-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccccc2)n1 5607372 DLFARYONOIIBRN-UHFFFAOYSA-N 352.850 5.134 30 40 FKEB C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(C(C)(C)C)cc1 5858185 VQVGBJAYENIWMU-SFHVURJKSA-N 369.534 5.032 30 40 FKEB Cc1cc(C)cc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2)c1 12599999 ATBYRPVEQVCFNG-YYDJUVGSSA-N 374.871 5.564 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 17124104 FTDFYTKHBGAUKZ-OVCLIPMQSA-N 359.381 5.070 30 40 FKEB ClC12C[C@H]3C[C@H](C1)CC(c1ccc(/N=C/c4cccs4)cc1)(C3)C2 100503803 RQKPBDNYJWVLFP-YEHHGXEXSA-N 355.934 6.328 30 40 FKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(N2CCOCC2)cc1 197805797 NVHJPRVIGSZFMY-HKOYGPOVSA-N 358.441 5.066 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 409169183 POAXMCVRCRDVPN-FTRWYGJKSA-N 371.267 5.722 30 40 FKEB COc1ccc2ccccc2c1/C=N/c1ccc(Nc2ccccc2)cc1 2848790 XZQVWRLDWJZICY-KOEQRZSOSA-N 352.437 6.343 30 40 FKEB Cc1csc(N/N=C/c2ccccc2OCc2ccccc2Cl)n1 4423927 CMIOTUHKJBZVDG-KEBDBYFISA-N 357.866 5.130 30 40 FKEB Cc1ccc2oc(-c3cccc(/N=C\c4cccc(C)c4O)c3C)nc2c1 6216606 KKGXFSDQJAQGLT-CFRMEGHHSA-N 356.425 5.876 30 40 FKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCC(C)C)o3)o2)c1 33026986 KJFIDJQIZXGCBC-UHFFFAOYSA-N 365.433 5.070 30 40 FKEB CCCCCCCCOCCNC(=O)C(c1ccccc1)c1ccccc1 98043299 KIPSAWSSFXGHGL-UHFFFAOYSA-N 367.533 5.312 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 710962 VFPGZBNACZSLPA-MFKUBSTISA-N 364.404 6.104 30 40 FKEB Clc1cccc(Cl)c1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 2053666 XPOVILXNXXDQIA-FSJBWODESA-N 367.235 6.552 30 40 FKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl 6276555 XPFDLBHUVQWZAF-FPLPWBNLSA-N 360.162 5.821 30 40 FKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(CC)cc1 10342138 WITMMPOKVOTYJU-UHFFFAOYSA-N 366.468 5.702 30 40 FKEB CC1=C(c2ccccc2)[C@]2(c3ccccc3)[C@@H]3C=C[C@H]([C@H]4CC[C@@H]43)[C@]2(C)C1=O 102491170 WZOOUDLTRAKAHN-WUBUBHPXSA-N 366.504 5.829 30 40 FKEB CC[C@H](C)COC(=O)/C=C/c1ccc(N=Cc2ccc(OC)cc2)cc1 254402670 FKZXVOQEYXOXAD-VPCHJHAQSA-N 351.446 5.048 30 40 FKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2Cl)S1 408739076 SRGDVFULZKJOQW-DHDCSXOGSA-N 363.269 5.193 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408961265 LYYVBDOXFFSFKR-SSDVNMTOSA-N 353.805 5.666 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(F)c(Cl)c2)o1 408963247 YKSYHIRQHWEUCD-LSHDLFTRSA-N 357.768 5.496 30 40 FKEB CC(C)c1cc(Nc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N 1454504 RUZDUMNJPSEURR-UHFFFAOYSA-N 360.848 5.880 30 40 FKEB C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2715005 YIISVFKRQHSYOT-UHFFFAOYSA-N 360.848 5.339 30 40 FKEB CCCSc1nc(-c2ccc(OCC)cc2)cc(C(F)(F)F)c1C#N 3637035 CUBCVIGCPMJPOU-UHFFFAOYSA-N 366.408 5.540 30 40 FKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4194661 CGENPCORDLARRD-UHFFFAOYSA-N 368.502 5.320 30 40 FKEB C=CCn1c(C)cc(C(=O)COc2ccc3oc4c(c3c2)CCCC4)c1C 6602172 ZCZNTIMCTCKHQP-UHFFFAOYSA-N 363.457 5.178 30 40 FKEB Oc1c(Cl)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc(F)cc1 16450152 VUSKSNANYYGYLZ-WYMPLXKRSA-N 374.242 6.180 30 40 FKEB Cc1cccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3o2)c1 102417516 ORLQEFLTAFFZHE-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222924188 IOICPMXHRACYJK-NRFANRHFSA-N 367.489 5.345 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223316297 RUANKBSGUWDRPA-UHFFFAOYSA-N 367.499 5.044 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1c(C)cccc1C 408912167 PFNWGPUJUIMSEF-DLTWUOELSA-N 350.487 5.236 30 40 FKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408937562 GUXAPVGYRRGSER-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 409098793 POARBURKTSHZBS-UHFFFAOYSA-N 371.893 5.265 30 40 FKEB Cc1cccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1C 409212375 QTJRPTGVVIFCRL-ZVHZXABRSA-N 359.425 5.331 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 2771275 LIRRZRRKNFMHCW-SRZZPIQSSA-N 366.214 5.805 30 40 FKEB O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3ccc(Cl)c(Cl)c3)cc2)cc1 2837565 RYLUANKUUVRJLZ-WSDLNYQXSA-N 371.223 6.319 30 40 FKEB Oc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)c2ccccc12 4917892 JGEGHMWHWMNWQM-BUVRLJJBSA-N 364.408 5.030 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(C3CCCCC3)cc(Cl)c2O)cc1 5769620 QRQOFMBUPGCPBD-CIAFOILYSA-N 373.840 5.448 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc(F)c1 8368706 JETZZZOFBRVJSI-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1C(F)(F)F)CCCC2 9423213 JHIAYYGFVMJQLI-RMKNXTFCSA-N 374.431 5.656 30 40 FKEB COc1ccc2ccccc2c1/C=N/Nc1ccnc2cc(Cl)ccc12 12562656 LXQYHTGCRFDWNE-ZMOGYAJESA-N 361.832 5.496 30 40 FKEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)cc1 19814468 STZXBAMISOEQOZ-YDZHTSKRSA-N 366.848 5.065 30 40 FKEB CCCCN/C(=N\c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 49772139 WTZSEDSTEZOCKG-UHFFFAOYSA-N 354.803 5.827 30 40 FKEB COc1cc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c(OC)cc1Cl 51318732 TXMHJOAIYNTHIT-MDZDMXLPSA-N 359.853 5.289 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4ccccc4)cc3)[C@H]2C1 59471635 FBXJFKVVERRITM-VEGXCNEOSA-N 350.465 6.264 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 408784149 SRQIBCAOAJNOSU-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB CCc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1 6574076 WLVPXDFDSDWJHV-GZTJUZNOSA-N 356.878 5.102 30 40 FKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cc(C)ccc1Cl 32100469 VQJDNSODNXUXLK-ZRDIBKRKSA-N 364.670 5.610 30 40 FKEB Cc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 95482065 FEETZYWKHNYLRZ-FSJBWODESA-N 362.816 5.913 30 40 FKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 226321857 XVRPDGVXADLREK-UHFFFAOYSA-N 369.631 5.016 30 40 FKEB Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c(Br)c1 408859544 UYYNXEUXJIKLNK-MTJSOVHGSA-N 373.681 5.952 30 40 FKEB CC(C)COc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409045463 YPZGFQQBDJAHTJ-AWQFTUOYSA-N 367.232 5.687 30 40 FKEB Cc1ccc(-c2csc(/N=C/c3cc(Br)ccc3O)n2)cc1 1500825 ZBFKJPOERRTUGY-DJKKODMXSA-N 373.275 5.337 30 40 FKEB C=CCc1c(C)nc2sc(C(=O)Nc3c(C)cccc3C)c(N)c2c1C 2203239 HWEGCANRGIAPQT-UHFFFAOYSA-N 365.502 5.093 30 40 FKEB Cc1[nH]c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2c1C 7777452 DIFSNCWKEKXRSG-UHFFFAOYSA-N 372.453 5.032 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 8084816 ZDSWZHYRMVYCGD-MFKUBSTISA-N 363.432 5.726 30 40 FKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 21722394 FZGJOABVHCKHLV-QHCPKHFHSA-N 374.484 5.240 30 40 FKEB O=C(O/C(C(=O)c1ccccc1)=C1\C=Cc2ccccc2N1)c1ccccc1 100435298 HWMGKPYQQDBPLF-XTQSDGFTSA-N 367.404 5.077 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+](C)(C)C 104110055 DAJJORSFPYNZPN-OUKQBFOZSA-O 367.642 5.846 30 40 FKEB Cc1cc(N/C=C/C(=O)c2cccc3ccccc23)ccc1Br 409178952 LANRPDQLMOKWKD-VAWYXSNFSA-N 366.258 5.719 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C1 995039 VSTKXGNJLNFDBJ-YHVDPYDOSA-N 364.514 5.423 30 40 FKEB N#CC[C@@](C#N)(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 1385680 ZAJAIVOEGNDCBC-OAHLLOKOSA-N 370.161 5.131 30 40 FKEB Cc1cccc(/N=C/c2cc(/N=N/c3ccc(Cl)cc3)ccc2O)c1O 4550763 DDFTXZWPGAIMFJ-OBMCKAMCSA-N 365.820 6.226 30 40 FKEB O=[N+]([O-])c1ccc(/C(=N\c2cccc3ccccc23)N2CCCCC2)cc1 4954590 GJOJTQXHCOGCQB-GHVJWSGMSA-N 359.429 5.312 30 40 FKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 6064360 WGSGGSQPZAYNGX-UUYOSTAYSA-N 360.384 5.329 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C(C)=O)cc1 16711479 KFEPSKUVZHJOGD-XDOYNYLZSA-N 368.889 5.491 30 40 FKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccccc1Cl 58822832 JUOLGOMGJIYPHB-OEAKJJBVSA-N 366.848 5.374 30 40 FKEB CCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 98050505 DSCDSEDIUSQCQO-UHFFFAOYSA-N 352.891 5.348 30 40 FKEB C=C(C)COc1cccc(C(=O)NCCCc2ccc(C(C)C)cc2)c1 219794613 PEUGDZWOXQMQGN-UHFFFAOYSA-N 351.490 5.128 30 40 FKEB C#CCOc1c(CC=C)cc(CNc2cc(Cl)ccc2C)cc1OC 409112398 GABYSOKKPFKNMH-UHFFFAOYSA-N 355.865 5.010 30 40 FKEB Cc1cc(C)c(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 2894921 XGKXMBDGNITIFO-AFUMVMLFSA-N 370.521 6.948 30 40 FKEB COc1cccc2sc(N/C(=N\c3ccccc3)c3ccccc3)nc12 4747664 RABRVIRKYQYHAS-UHFFFAOYSA-N 359.454 5.495 30 40 FKEB C=CCSc1nc(Oc2ccc(Cl)cc2Cl)c2sccc2n1 5631293 OETZLZVVUAEWDG-UHFFFAOYSA-N 369.298 6.069 30 40 FKEB Cc1ccc(C(=O)/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 26462919 GQKPJNVOWNWQHW-FOCLMDBBSA-N 352.437 5.289 30 40 FKEB Cn1nc(C(F)(F)F)c(/C=N/c2ccc(Cl)c(Cl)c2)c1Cl 100271441 OEJXFKPSQNIMME-PTXOJBNSSA-N 356.562 5.150 30 40 FKEB CCCCCCCCC[C@H](CCCCC)C(=O)NCCCCCCC 101673676 HHXSOVSLXMHUAX-QFIPXVFZSA-N 353.635 7.410 30 40 FKEB O=C1/C(=C/c2ccccc2)CC[C@H]1C[C@H]1CCC[C@@H](C2=CCCCC2)C1=O 105364668 HWZZEAVSPCVWGA-QCOYMAOOSA-N 362.513 5.925 30 40 FKEB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)c(C#N)c1 225846724 NFHLDOCFKXTEBH-OAQYLSRUSA-N 360.498 5.051 30 40 FKEB O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1C1CCCCC1 408812977 CKVDWQUKBWALOW-GWPSIESESA-N 363.486 5.018 30 40 FKEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 408920292 IDKUALMMJDIALK-PEHRLVKHSA-N 359.404 6.440 30 40 FKEB CSc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409077470 FLOMAGNMVSTBAN-LJGKHRNASA-N 368.571 6.243 30 40 FKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H]1C[C@@H]1c1ccccc1 1775976399 LVTUTQOQOSRUTD-WIYYLYMNSA-N 365.436 5.582 30 40 FKEB C=CCOc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775058 RHTGLFUCKIRGMU-UHFFFAOYSA-N 356.805 5.420 30 40 FKEB COc1ccc2ccccc2c1/C=N\n1c(C2CCCCC2)n[nH]c1=S 2341911 OFJSCIWFAANHAS-BKUYFWCQSA-N 366.490 5.032 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)[nH]n1 2525711 SVXMNQVFCJCBTQ-UHFFFAOYSA-N 362.195 5.001 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1cccc(Br)c1 3232537 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5.741 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Sc2ccccc21 2068762 ZKZPAFSZMQHXPW-ZDLGFXPLSA-N 373.260 6.583 30 40 FKEB COc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)ccc1OCC#N 5131220 IYSZDPWAFXJPBU-UXBLZVDNSA-N 362.454 5.200 30 40 FKEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(C)cc1 5501180 NXZABOVPLNQIDS-UHFFFAOYSA-N 373.884 5.524 30 40 FKEB Cc1ccccc1/N=C(/Nc1cc(Cl)cc(Cl)c1)c1ccccc1 5756123 JQQJOCJUKJNFIE-UHFFFAOYSA-N 355.268 6.492 30 40 FKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Cl)cc1 8570888 LZINUIDVQJYIFU-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1Cl 8570895 FWDFFNIAJTZHBR-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB O/N=C(/c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1Cl 100925340 JDKKDJZXSLRXNE-OQKWZONESA-N 373.264 5.983 30 40 FKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N 225675960 WMLXKTNSGKCESJ-UHFFFAOYSA-N 362.473 5.044 30 40 FKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 409099780 LOQQSRWVIDFHPC-XIEYBQDHSA-N 372.468 5.375 30 40 FKEB COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 17124121 LGONKLASQBMSBA-GDNBJRDFSA-N 374.436 5.179 30 40 FKEB c1ccc(-c2nc(-c3ccccc3)n(C[C@H]3CO3)c2-c2ccccc2)cc1 37866032 KOPFXNSRBPUPBL-NRFANRHFSA-N 352.437 5.283 30 40 FKEB CCCOc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 59444494 DHCRTKVARTXELH-NTUHNPAUSA-N 354.446 5.169 30 40 FKEB CC1(C)C[C@@H]([C@@H](CC/N=C/c2ccccc2)c2ccc(F)cc2)CCO1 100098658 WDBMCHUCIZNYQQ-XRCXYCRTSA-N 353.481 5.624 30 40 FKEB CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@H](C[C@@H](C)SCC)C1 100858571 UNYHPEBIVPSHTA-IAGOWNOFSA-N 367.599 5.290 30 40 FKEB Cc1cc(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C 101475469 BMNMSCLQDPFCND-UHFFFAOYSA-N 366.223 5.263 30 40 FKEB Cc1ccc(/N=C2/C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)cc1Cl 102432713 JOHFEEFJMAIIPY-RPJXVUCDSA-N 373.883 6.096 30 40 FKEB Cc1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)c(Br)c1 409251315 UWYKTCCNUFQRBX-UDWIEESQSA-N 355.235 5.464 30 40 FKEB CCCCOC(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809099 FBJJDHOUSHGHFY-UHFFFAOYSA-N 364.204 5.003 30 40 FKEB Cc1ccc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc1 4747038 QHMYKUHZWGZSRE-XMHGGMMESA-N 373.839 6.213 30 40 FKEB C(=N\N1CCN(c2ccccc2)CC1)\c1c2ccccc2cc2ccccc12 5129813 NGXSRRWYWAUCMG-XHPQRKPJSA-N 365.480 5.149 30 40 FKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1F 8111259 LMDVYTQSNHDXLQ-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB CCn1c2ccccc2c2cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)ccc21 33388245 YLUUSIHKUJQCAZ-HMAPJEAMSA-N 358.401 5.169 30 40 FKEB Cc1ccccc1N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 98086953 YYYWQLPDZSMJCJ-RGVLZGJSSA-N 355.781 5.263 30 40 FKEB CCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC 100501265 SGBMYGGEOQKEOP-YHQHYLOESA-N 372.593 7.642 30 40 FKEB Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118928004 OEFVYGZGLIGBOP-FXWGGAPPSA-N 366.549 5.415 30 40 FKEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764365 NTHFWZSCPXFICD-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB c1ccc(NN=C(N=Nc2nc3ccccc3s2)c2ccccc2)cc1 255992791 OPOMTHCDFJEKJO-UHFFFAOYSA-N 357.442 5.854 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2C(=O)OC)c1C 408959813 GFSCGQVZCVBJEC-MYYYXRDXSA-N 374.484 5.502 30 40 FKEB Cc1ccc2c(c1)c(/C=N/CCNc1cccc3ccccc13)c(C)n2C 409038843 FTCNYNYHVDAURN-PCLIKHOPSA-N 355.485 5.479 30 40 FKEB O=C(/C=C/OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1041248 JNBYBUHQEJMXQU-BQYQJAHWSA-N 355.604 5.200 30 40 FKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1 8367803 OHCOKSROINDEHK-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CC(C)c1ccc(N/C(S)=N/C2CCN(Cc3ccccc3)CC2)cc1 8685320 UQSMUOGDKXYLDZ-UHFFFAOYSA-N 367.562 5.172 30 40 FKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(OC)cc1 12406374 MMYWHJHNYFTJQQ-XHWMPCBKSA-N 362.473 5.011 30 40 FKEB Clc1cccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)c1Cl 15223455 MKSKIIJTDVTUKI-FBHDLOMBSA-N 371.227 5.576 30 40 FKEB C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=CC2=O 43808057 UJOCQXHOSBJACO-AANQFLQQSA-N 358.481 5.467 30 40 FKEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl 59942138 QBAQQBGCDITWNW-ONEGZZNKSA-N 361.055 6.109 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3Cl)c2C)c1 408762265 JWSWJRUXEYTEJC-FSJBWODESA-N 366.848 5.505 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C#N)C1 682832 DFSPHVGLPRNBSG-ZDUSSCGKSA-N 356.466 5.162 30 40 FKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2430064 ONPIGQTVAAFPBG-QHCPKHFHSA-N 355.462 5.862 30 40 FKEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)c1nnc(-c2ccccc2)o1 5281137 AUOCUIPGCRGTSP-INIZCTEOSA-N 367.408 5.415 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OCC 6959308 ZXFNXURIWOBLIB-WSDLNYQXSA-N 362.256 5.463 30 40 FKEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1coc2cc(C)ccc12 9579297 ZKHLRPMCHJNKNT-UHFFFAOYSA-N 359.878 5.213 30 40 FKEB C#CCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1OCC 22787942 ZEFFLXVGSXUPKS-GOSISDBHSA-N 359.469 5.101 30 40 FKEB COc1cc(/N=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 100384321 KATSCUKQPFTMKP-OEAKJJBVSA-N 362.429 5.415 30 40 FKEB Clc1cccc(/C=N\CCCCCC/N=C/c2cccc(Cl)c2)c1 104063730 LZKXUGRBACZKFG-REPVBDINSA-N 361.316 6.092 30 40 FKEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2cccc3ccccc23)cc1 225888599 WPBLGAQPNJRUBX-UHFFFAOYSA-N 369.493 5.603 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 409215690 DNXDDFJSWJTWLA-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CCCCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 2207393 OUESHEFBOIJMFZ-UHFFFAOYSA-N 359.517 6.797 30 40 FKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/Nc3ccccc3)cc2)cc1 4685357 DXWJREJTBLBHSB-KOEQRZSOSA-N 372.468 5.649 30 40 FKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)s1 5370566 IHHFSCZRAKRNPZ-CNHKJKLMSA-N 363.748 5.165 30 40 FKEB CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525744 DXAWILAHNRJMEV-UHFFFAOYSA-N 360.304 6.985 30 40 FKEB C=CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 408603880 BXNZSIMLDLVBDJ-UHFFFAOYSA-N 370.649 5.419 30 40 FKEB C=C(C)CCCCCCCCCCCCCCCCCCCC(=O)O 2060993569 SEYNIGMVVGXGRU-UHFFFAOYSA-N 352.603 8.059 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1OC 1455029 YJXGUOCYDKSVDO-VZCXRCSSSA-N 356.878 5.297 30 40 FKEB N#CCCN(C(=S)Nc1ccc(SC(F)F)cc1)c1ccccc1 3287861 WMSXYGJXXSUABU-UHFFFAOYSA-N 363.458 5.118 30 40 FKEB Cc1cc(C)c(C(=O)/C=C/c2c3ccccc3cc3ccccc23)cc1C 4076413 MGHJVVRDSGBGLO-OUKQBFOZSA-N 350.461 6.814 30 40 FKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\C=C\c1ccccc1 6927223 OEZXLZVHZKIHDS-REGBWQCZSA-N 362.248 5.373 30 40 FKEB C/C(=N\Nc1cc(C)c2cc(C)cc(C)c2n1)c1ccc(OC(F)F)cc1 7141463 YSGOOKFCWSDLQC-MFKUBSTISA-N 369.415 5.598 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 8277911 GVPSFRGXJCPELI-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc2nc(N/N=C/c3ccccc3C)nc(-c3ccccc3)c2c1 46085277 SAYOVRWNJLABEZ-BUVRLJJBSA-N 352.441 5.360 30 40 FKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cccnc2)cc1 100282445 QHZHPQJFZCBFLA-UHFFFAOYSA-N 369.509 6.245 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccccc2C)c(OC)c1 102561729 AQGMGHZBYABQMF-UHFFFAOYSA-N 369.549 6.033 30 40 FKEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225054899 SJHFICGARHKVGT-UHFFFAOYSA-N 371.889 5.183 30 40 FKEB C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1c[nH]c2ccccc12 408718078 HONHOZCFUXCMJD-ZVHZXABRSA-N 364.408 5.636 30 40 FKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2sccc2C)c1 3363971 URXSPLHUGZZVMR-ZZEZOPTASA-N 358.532 5.329 30 40 FKEB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 5512876 GASMKFGEAHHJFU-CSKARUKUSA-N 353.761 5.404 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 17073730 FYDBHUAMKZMRKN-MNVZFQSXSA-N 356.878 5.354 30 40 FKEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O 252680041 UXNQBRLSYUSFKW-OUNJQYEHSA-N 350.543 5.126 30 40 FKEB biogenic,in-vitro CCCCCCCCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1 408718605 IQHHIWQSPYLUOP-UHFFFAOYSA-N 368.521 6.162 30 40 FKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1C1CCCCC1 408739546 CONUMAIRGIRKCF-FYJGNVAPSA-N 359.311 6.123 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409212610 QYIYAXVSQVBABZ-SRZZPIQSSA-N 350.245 5.626 30 40 FKEB Clc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)c(Cl)c1 847818 ZMJALGAJZWONIW-FSJBWODESA-N 366.251 6.287 30 40 FKEB c1ccc(/N=N/C(=N/N=c2/[nH]c3ccccc3s2)c2ccccc2)cc1 4795324 JIMQSJYTNLHEGF-UGXHBQBLSA-N 357.442 5.276 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 5214793 MBROWGCGXNUJER-XCVCLJGOSA-N 369.829 5.873 30 40 FKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2cc3ccccc3cc2O)cc1 5588193 JBBGNFHFBDDWAD-UHFFFAOYSA-N 366.464 6.353 30 40 FKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 6295852 DDCLJJFELLZRFK-LFVJCYFKSA-N 363.844 6.448 30 40 FKEB N#Cc1ccccc1-c1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 14185357 GPHNHLQATDDYDI-UHFFFAOYSA-N 372.497 5.321 30 40 FKEB C[C@@H](/C(O)=N/c1cccc(Cl)c1)N(C)Cc1c(F)cccc1Cl 82110917 BUUXJCXHNDFZEK-NSHDSACASA-N 355.240 5.241 30 40 FKEB Clc1ccc(/N=C\c2c3ccccc3cc3ccccc23)c(Cl)c1 104206381 YRNNQBRUTGXDEU-CFRMEGHHSA-N 350.248 7.050 30 40 FKEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225059678 UJMYISALHTYBCR-UHFFFAOYSA-N 365.498 5.146 30 40 FKEB Cc1ccc(Cl)cc1-c1ccc(/C=N\Nc2nc3ccccc3[nH]2)o1 408726676 UQOIUJHCBDIULX-NHDPSOOVSA-N 350.809 5.231 30 40 FKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1 409078171 HWRGFRXYMQNIJV-ANDSAHIGSA-N 366.530 5.838 30 40 FKEB Clc1ccc(/C=N\Nc2c3ccccc3nc3ccccc23)c(Cl)c1 31672202 GBJFVZWXNMSUHQ-FMCGGJTJSA-N 366.251 6.141 30 40 FKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224695491 UXRDZLDDXZDUDK-UHFFFAOYSA-N 363.482 5.043 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(OC)cc3)cc2[C@H](C)CC1(C)C 260572447 VMXAPCYNDGCJAD-WMWHPZEKSA-N 350.506 5.866 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C#N)c1C 409077928 GIEHRYBCOYRJNV-ZVBGSRNCSA-N 369.764 5.340 30 40 FKEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cccc([N+](=O)[O-])c2)c1 829508 GDOSLNASCAUITE-OEAKJJBVSA-N 370.364 5.119 30 40 FKEB O=C(/C=C\Nc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccccc1 6927249 JNFRAFXRSIJNPZ-YPKPFQOOSA-N 361.828 5.380 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 8113381 UZLCDHKKMNJBKL-JJIBRWJFSA-N 359.425 5.803 30 40 FKEB COc1ccccc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 11614202 FUPIKQFSQFUDLJ-OBGWFSINSA-N 355.393 5.260 30 40 FKEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(F)c(Oc3ccccc3)c2)cc1 12447725 LJVDBXMYIRIPSK-UYRXBGFRSA-N 373.383 5.271 30 40 FKEB CC/C(C(=O)c1ccccc1)=C(\CC(=O)c1ccccc1)c1ccccc1 16577036 SXTXGIRECPDWJG-FCQUAONHSA-N 354.449 6.006 30 40 FKEB O=C(/C=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 16952492 SRZIWBALUGPBHT-CCEZHUSRSA-N 368.392 5.639 30 40 FKEB Cc1ccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3o2)cc1 95482068 MNYNHHGEPWMQFV-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 224970199 UZUYUTWGDNIGBT-UHFFFAOYSA-N 352.503 5.207 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 408760457 YXIAEGKSPMVVQS-PCLIKHOPSA-N 374.484 5.584 30 40 FKEB Clc1ccc(Cl)c(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1 408908061 APXZFYCATNFFKB-ZVBGSRNCSA-N 360.196 5.733 30 40 FKEB Oc1cc(Cl)ccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408931878 RMHUZPWULUFBAM-KSEXSDGBSA-N 364.754 5.606 30 40 FKEB C(=N/Nc1nc2ccccc2s1)\c1ccc(OCc2ccccc2)cc1 15011526 KJUWNZFNIQHUBN-HYARGMPZSA-N 359.454 5.321 30 40 FKEB CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OCC)cc2)cc1 68568970 ZRCVVIXIMQETJI-WCWDXBQESA-N 368.477 6.767 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1ccccc1Nc1ccccc1 98086979 QYQWMZPLABBTIV-FYJGNVAPSA-N 367.246 5.649 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 229917420 NXAYIWVAGRXNFI-GJYPPUQNSA-N 371.267 5.722 30 40 FKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/C3CCCCC3)CC[C@H]12 253499722 UBVDQPPYMIRBTH-TXVZDOCHSA-N 355.610 7.193 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Nc3ccccc3)cc2)C1 408563368 LJQQQQNNLNRZHM-ZELAZJAISA-N 362.517 6.531 30 40 FKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C 408595958 YEBTWLJRCIOCQW-AFUMVMLFSA-N 357.457 5.133 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 409169187 POAXMCVRCRDVPN-QINHECLXSA-N 371.267 5.722 30 40 FKEB Cc1ccc2[nH]c(S/C=C/C(=O)c3ccc(Br)cc3)nc2c1 2557536 MLORRHJXCLYXDX-CMDGGOBGSA-N 373.275 5.123 30 40 FKEB COc1ccc(C2=CSC3=C(C(=O)c4cccc(Cl)c4)CCN23)cc1 3265514 IDHBAIZRDNORJS-UHFFFAOYSA-N 369.873 5.194 30 40 FKEB COc1cc(C)c(/C(C)=N/Nc2nc(-c3cccs3)cs2)cc1OC 4746628 UJAMZGAMTOJCMS-UDWIEESQSA-N 373.503 5.033 30 40 FKEB Cc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1 6841202 NCYLITPMMATTGE-OEAKJJBVSA-N 373.481 5.630 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 6961098 RUJSNXFKOOEXDP-XIEYBQDHSA-N 373.452 6.193 30 40 FKEB C/C(=N\OC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 12350526 LHZIYWLWDILKIM-YHHINRMSSA-N 366.219 5.469 30 40 FKEB CCCCCCCCSC1=NC2(CCCCC2)[C@H]2CCCC[C@@H]2O1 101528417 DQKVAPVRKSJLIZ-OALUTQOASA-N 351.600 6.728 30 40 FKEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(Cl)cc3)sc1CC2 408722705 MPJARENTXBWEIJ-SRZZPIQSSA-N 354.862 5.321 30 40 FKEB COc1cccc(/N=C/N(C(=O)c2ccccc2)c2ccc(C)cc2C)c1 504814983 JFAULTFZUJYMMZ-LFVJCYFKSA-N 358.441 5.319 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 1889184576 DGKAJFBWCOTIQA-KXJDXKFMSA-N 373.537 5.347 30 40 FKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1Cl 3113869 RKZGJWZYPDDAKW-FSJBWODESA-N 367.235 6.552 30 40 FKEB CCCCCOc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(C)n2)cc1 4015879 OSQJZTKRHPZYPU-JJIBRWJFSA-N 374.488 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370.235 5.963 30 40 FKEB C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 8112758 OEAXCOCONOMOKR-JJIBRWJFSA-N 357.409 5.250 30 40 FKEB Cc1sc(N/N=C/c2cccc(Br)c2)nc1-c1ccccc1 15226276 UWRIVBOVHMMXBT-YBFXNURJSA-N 372.291 5.327 30 40 FKEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cccc(Cl)c1O 59475450 XLBCOARBXUEPOP-LSHDLFTRSA-N 357.759 5.604 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)F 103531491 NIJFGUAYRFPTBD-OWOJBTEDSA-N 364.076 5.208 30 40 FKEB Cc1ccccc1[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1 225504276 RJWMBRVPYWZOAW-JOCHJYFZSA-N 371.509 5.137 30 40 FKEB C=CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl 408557883 PGUVMBMLTYYHFO-UHFFFAOYSA-N 353.205 5.079 30 40 FKEB CC(=O)c1cccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 408731021 IKBDYRUGHQOOKQ-SRZZPIQSSA-N 368.776 5.461 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1C1CCCCC1 408740744 MCXCJCDZFMSBFY-WSDLNYQXSA-N 358.869 5.712 30 40 FKEB CCOc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409381468 HCNCDOVLTGAIOW-ZVHZXABRSA-N 372.380 5.821 30 40 FKEB CCOc1ccc2nc(S/C=C/C(=O)c3ccc(C)cc3)sc2c1 1036780 LOQKRTZQXYDHCN-ZHACJKMWSA-N 355.484 5.492 30 40 FKEB CC1=C/C(=C/C(=S)C(F)(F)C(F)F)SC(C(F)(F)C(F)F)=C1 2371872 FUXSHHURVZWLMF-XQRVVYSFSA-N 368.314 5.618 30 40 FKEB OC1=N/C(=N\c2cc(Cl)cc(Cl)c2)S/C1=C\c1cccc(F)c1 6926035 RAWMUXOJTIBEQL-RZNTYIFUSA-N 367.232 5.864 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 8084696 GZNZPAKGEUDOMX-AFUMVMLFSA-N 367.851 6.371 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=C(C)C[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 15657763 FIFCOJHNNZMPQU-BQGSHDAWSA-N 370.533 5.396 30 40 FKEB in-vitro Cc1cccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)c1 31854481 AQPRNYQTTNAQNA-GRSHGNNSSA-N 372.291 5.327 30 40 FKEB CCCCCCCOc1ccc(NC[C@H](C)Oc2cc(C)ccc2C)cc1 100033645 WNAVKNGEDGVFCB-NRFANRHFSA-N 369.549 6.532 30 40 FKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 100142467 VMKZUJCMHPXPTG-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1 225888501 ZMIVATDOJQUMKQ-UHFFFAOYSA-N 353.878 5.103 30 40 FKEB C(=N\c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCCCC2)cc1 408854843 JYBDKECPCTXEDM-PLRJNAJWSA-N 355.485 6.171 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409044599 WEHGVVJEXPTDPC-VXLYETTFSA-N 353.205 5.441 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C#N)C1 4496838 AFUQGHPGJQWMMI-LBPRGKRZSA-N 374.506 5.005 30 40 FKEB CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(C)cc1C 4893253 OZSLKFNVRBIOCB-LPYMAVHISA-N 350.491 5.220 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 5210524 VPKGSTRWJBWEDN-FYWRMAATSA-N 374.436 5.179 30 40 FKEB C=C[C@@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(CC)CC 6384813 JDYNTSZROVUNQE-SANMLTNESA-N 369.552 6.308 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 8116592 VXHABRMYKJHGQL-ZVHZXABRSA-N 365.404 5.173 30 40 FKEB Oc1ccc(Br)cc1/C=N\c1ccc(Cl)c2cccnc12 16662108 HFPZHIOMOQVMTB-UKWGHVSLSA-N 361.626 5.107 30 40 FKEB CCCCCCCCCCCCCCCCCC1=N[C@@](C)(CO)CO1 100061063 RSDFPCQESXIWFY-QFIPXVFZSA-N 353.591 6.428 30 40 FKEB CCCC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 100384308 DZWYJGDNHMXEKU-KOEQRZSOSA-N 372.468 5.755 30 40 FKEB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C#N 225823654 ZERDYQIWYOESAF-UHFFFAOYSA-N 374.525 5.153 30 40 FKEB Cc1ccc(COc2ccc(C(=O)n3cc(C#N)c4ccccc43)cc2)cc1 226362013 JRBDYNUGPVUHQW-UHFFFAOYSA-N 366.420 5.089 30 40 FKEB CC(C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408600921 HGICGFNLSCAVSD-BOPFTXTBSA-N 372.877 5.019 30 40 FKEB CCc1ccc(N=C2NC(=O)/C(=C/c3c(C)cc(C)cc3C)S2)cc1 408760840 AGXACMQVVKSBJC-UNOMPAQXSA-N 350.487 5.066 30 40 FKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2)c1 409202790 SEEBHYWUICVJOG-MFKUBSTISA-N 372.468 5.380 30 40 FKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O 864775 QYBRPZQOBKCKBN-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccccc1 2314911 USGFDMRNLHTZED-ATJXCDBQSA-N 363.530 5.885 30 40 FKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 2392581 NTUHRDFFIBHYMV-UHFFFAOYSA-N 353.491 5.314 30 40 FKEB O=C(Oc1ccc(F)cc1C(=O)/C=C/c1cccs1)c1ccccc1 5021970 SCMMCBLOZUHTJT-MDZDMXLPSA-N 352.386 5.003 30 40 FKEB FC(F)Oc1ccccc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 5445682 ZZIAAKPHPPLXAF-IFRROFPPSA-N 365.594 5.694 30 40 FKEB Cc1cccc(/N=C2\NC(=S)N(c3ccccc3Cl)C23CCCC3)c1 5813153 XMMNWKPLAHHMDA-UHFFFAOYSA-N 369.921 5.386 30 40 FKEB C=CCOc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OCC 8254450 CTASNVPFYHJXLA-ZPKAHVHTSA-N 369.549 5.489 30 40 FKEB CCCC(C)(C)C1CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 9012759 CFYRMOUKROUYIT-UHFFFAOYSA-N 362.430 5.287 30 40 FKEB CCCCCCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 104097532 PSMHLEWRGIGRNB-XTQSDGFTSA-N 353.466 6.162 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1 408692134 FAZSBRHJKVFMTB-ZHACJKMWSA-N 358.441 5.380 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)C2 408734223 IOGDRZXHFMMPGJ-JFLMPSFJSA-N 368.524 6.698 30 40 FKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccccc1 409115119 ILWGBHAJWJTJFU-UHFFFAOYSA-N 373.496 5.923 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2F)cc1OC 409375704 ODKCUQZZMSLNII-ZOCVZFIWSA-N 353.796 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C(=N/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1ccc2c(c1)OCO2 59483143 JTMWUYUIKNRECK-ZVHZXABRSA-N 367.408 5.019 30 40 FKEB N#Cc1c(S[C@H]2CCCCC2=O)nc(-c2ccccc2)c2c1CCCC2 170622679 STDDXIIAIBGWPR-FQEVSTJZSA-N 362.498 5.103 30 40 FKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccc1 408737926 KHHVIFVSTIWICB-NLRVBDNBSA-N 350.465 6.512 30 40 FKEB O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1cc(C(F)(F)F)ccc1Cl 2653757 OYSMDQLFYXKKBJ-FZJQIBMXSA-N 369.730 5.378 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 2886669 MBZAXRIKJUKFLF-HNNXBMFYSA-N 372.493 5.664 30 40 FKEB CCCOc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1 3255347 CIRUYPWFNRFARD-JJIBRWJFSA-N 358.441 5.053 30 40 FKEB Cc1cc(/C=N/c2ccc(O)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 15013617 RBGZUQSSGZPMLS-SSDVNMTOSA-N 359.256 5.857 30 40 FKEB Brc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1 33377350 XZFVMCIFBSIIIC-VCHYOVAHSA-N 358.264 5.019 30 40 FKEB CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O 100748124 LXSGFKJJXHCOTN-UHFFFAOYSA-N 350.543 6.458 30 40 FKEB biogenic O[C@]12CCCC[C@@H]1[C@H](c1ccccc1)[C@@H]1CCC[C@H]2/C1=N/Nc1ccccc1 101138579 QYOXYFORJPSJMA-NZYDCQCSSA-N 374.528 5.590 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1cccs1)C2=O 118915849 KEFQOADBHMAFFK-BIFLGSCQSA-N 368.586 6.743 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Oc3ccccc3)cc2)C1 408562954 GXFCKVRJNLSTLI-ZELAZJAISA-N 363.501 6.580 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc4cccnc34)c2C)cc1C 408740564 LOCBYQDCPSIHHV-CVKSISIWSA-N 353.469 6.010 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(C(=O)O)cc3)c2c1 408774450 XHACKHWHUJHFKH-OYKKKHCWSA-N 370.408 5.292 30 40 FKEB C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccc(F)cc1 2225972 IGJDWYKPVUWJOS-UHFFFAOYSA-N 353.466 5.179 30 40 FKEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)ccc1O 4710538 ZDKNCAFZSWFKCS-QFIPXVFZSA-N 371.436 5.119 30 40 FKEB CCC(=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 4982937 JGZZOTUMEGZYFB-VLDMRYIUSA-N 358.522 5.086 30 40 FKEB Clc1ccc(/C=N/c2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 15989452 MBXJVUOGGGNDKH-SRZZPIQSSA-N 374.296 5.713 30 40 FKEB O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 16958951 XQZXRYFHQGNJJS-JYFOCSDGSA-N 354.405 5.202 30 40 FKEB CC/C(C)=N/Nc1nc2c(Br)cc(-c3ccccc3)cc2s1 40542458 DZOFOKLVLMCTRY-RGVLZGJSSA-N 374.307 5.924 30 40 FKEB CCCCCCCCC[N+]12CC[N+](CCCCCCCCC)(CC1)CC2 104205424 QVOQAFZRUJLJRH-UHFFFAOYSA-N 366.678 6.148 30 40 FKEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225055633 OLXVHAVVJJGUTC-UHFFFAOYSA-N 371.889 5.183 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@@H]32)C1 253618049 MZWRIOUCMXPLKV-DTIHPSOBSA-N 356.506 5.006 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 408691787 QBVFYAVRXVCHRB-JXMROGBWSA-N 366.800 5.503 30 40 FKEB CC(C)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccccc1 408909500 UQVCTEARPTZQQO-CUNGHOPLSA-N 356.878 5.352 30 40 FKEB C=C(C)COc1cc(OCC(=C)C)c2c(-c3ccccc3)cc(=O)oc2c1 2154165 PRHPFRIJPZGERS-UHFFFAOYSA-N 362.425 5.370 30 40 FKEB biogenic CCCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 3637019 FVSAPTBUBFRYSF-UHFFFAOYSA-N 352.381 5.150 30 40 FKEB C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3cccc(Cl)c3)cc21 4424914 DRTMGQDTEAMDFX-UHFFFAOYSA-N 369.848 5.338 30 40 FKEB CC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1 4691371 CGHCRUYVHZGKKZ-ZMOGYAJESA-N 374.465 5.712 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1ccccc1-c1ccccc1 4705046 UEFIOIFBOMOFQP-FYJGNVAPSA-N 352.231 5.572 30 40 FKEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccccc1 8391916 XHRIUYUXMAIVKJ-HNNXBMFYSA-N 369.465 5.036 30 40 FKEB C/C(=C\C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1 89262010 HMOAXZWPFROYBK-USYSOWRXSA-N 364.754 5.034 30 40 FKEB C=C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681887 HALRAMNRSBXAOM-ONEGZZNKSA-N 372.124 5.467 30 40 FKEB Clc1ccc(/C=N\c2ccccc2-c2nc3ccccc3[nH]2)c(Cl)c1 100393517 CBOQHBNVAJASPP-FMCGGJTJSA-N 366.251 6.287 30 40 FKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1 408776457 OWPJFYRRGQNMPI-MYYYXRDXSA-N 358.872 6.651 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1C 408908136 BCFOEICDPWJUNK-HMAPJEAMSA-N 362.433 5.011 30 40 FKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccccc3C)c2)c1 409214942 VIPDXVZXSGOTQZ-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB Oc1cccc(OC(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)c1 1083811076 TZUYGCVGAMHNQS-UHFFFAOYSA-N 354.221 5.175 30 40 FKEB C/C(=N/Nc1nnc(Nc2ccc(Cl)c(Cl)c2)s1)c1ccco1 4105288 TWTQSBFZBGLDDA-LSCVHKIXSA-N 368.249 5.018 30 40 FKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3F)S2)cc1 5376912 FMNZKCXAANVTSU-AQTBWJFISA-N 354.450 5.060 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 6971405 CNSFUHBZXUCWMC-FCEWJHQRSA-N 370.374 5.434 30 40 FKEB Cc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1Cl 12648647 HMNBLLKVVPAQNG-UHFFFAOYSA-N 372.859 5.324 30 40 FKEB CC[C@@H](C)Nc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N 33027001 PLQXEZLPDCVUTI-OAHLLOKOSA-N 365.433 5.213 30 40 FKEB CCCCCC/C=C/CCCCCCCCCc1cccc(OC)c1O 59364632 IBEUJKXFTKVAMQ-CMDGGOBGSA-N 360.582 7.591 30 40 FKEB C=CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OCC 409117425 LVSWRHFEDTXBGH-UHFFFAOYSA-N 366.288 5.877 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)cc1 409188480 ZQYSYLQFCHWEFP-UCQKPKSFSA-N 352.865 5.897 30 40 FKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(OC2CSC2)cc1 5604122 DVZXQVNPAYKVQO-OEAKJJBVSA-N 361.466 5.724 30 40 FKEB N#Cc1c(NC(=O)c2ccco2)oc(-c2ccccc2)c1-c1ccccc1 11859862 QMKVGPXKEIYEBI-UHFFFAOYSA-N 354.365 5.331 30 40 FKEB CN1/C(=C\C(=O)c2ccc(Br)s2)C(C)(C)c2ccccc21 18037845 XPDWLVSGQBBLMC-GDNBJRDFSA-N 362.292 5.005 30 40 FKEB CC[C@H]1CS/C(=N\c2ccc(C)cc2C)N1CC(=O)c1ccc(C)cc1 21541294 XDNDHKWIWKTDFZ-ZABCRHKISA-N 366.530 5.310 30 40 FKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Cl)cc2)S1 59224220 VYEPJVZGDKQKCZ-NVNXTCNLSA-N 363.269 5.193 30 40 FKEB C=CCSc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 219795733 RXGFXBDYXJKIGS-UHFFFAOYSA-N 373.521 5.807 30 40 FKEB Cc1cc2c(cc1/C=N/c1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223613102 MLVJCGSSUBHAPC-YSGZUTGPSA-N 352.497 6.385 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 409212551 QPVFPKNKAWWSET-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(C)=O)cc2)cc1OC 409378571 QFVUABCLBBIVEE-UMYHVIPVSA-N 359.853 5.479 30 40 FKEB Cc1ccc(Cn2c(/N=C/c3ccc(N(C)C)cc3)nc3ccccc32)cc1 999159 JBEKVGARRJMLGR-PCLIKHOPSA-N 368.484 5.210 30 40 FKEB CC(C)c1cc(N[C@@H](C)c2ccccc2)n2c(nc3ccccc32)c1C#N 1473007 WIDVGYMQRSUVAI-INIZCTEOSA-N 354.457 5.656 30 40 FKEB N#Cc1ccc(COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3312201 NGNNCUQZXYEUPR-UHFFFAOYSA-N 370.433 5.192 30 40 FKEB Brc1ccccc1/C=N/N(c1ccccc1)c1ccccc1 4919969 IDOUOHVQYQLATE-RCCKNPSSSA-N 351.247 5.621 30 40 FKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OC 6959071 OAICVVOEVBOTEQ-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB Cc1nn(Cc2ccccc2)c(C)c1/C=N/c1ccc(Br)cc1 20103603 WBQYVDMLVULIRO-CIAFOILYSA-N 368.278 5.061 30 40 FKEB C=COC(=O)CCCCCCCCCCCCCCCCCCCCC 85649542 RLPIKSHMNSAWRK-UHFFFAOYSA-N 366.630 8.495 30 40 FKEB FC(F)(F)c1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 100405468 VTIKADFFGXQVTF-LGJNPRDNSA-N 366.386 5.976 30 40 FKEB CCCCCCCCCCOc1ccc(O)c(/C(CCCCC)=N/O)c1 100922070 NEIHFIQAJCUDFF-XTQSDGFTSA-N 363.542 6.670 30 40 FKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccccc1)C2=O 252693311 BXEKJWVUCNPPSL-OUIUVXRPSA-N 362.557 6.682 30 40 FKEB biogenic Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 409007616 PVDCQSHAGPJXOW-WSDLNYQXSA-N 358.272 5.847 30 40 FKEB CCCCOc1ccc2ccccc2c1/C=N/Nc1ccc2ccccc2n1 409009135 WSGSCRUHWUOWPR-KOEQRZSOSA-N 369.468 6.013 30 40 FKEB O=C(/C=C/c1ccccc1)c1ccc(Br)cc1OC(F)(F)F 575362606 IOFZGTXSKAXTGD-RMKNXTFCSA-N 371.152 5.244 30 40 FKEB Clc1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1 1096954 LECGWISLGQPTOT-UDWIEESQSA-N 359.654 5.644 30 40 FKEB C/[N+]([O-])=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 1401539 RGGQMFNFOHCHOU-JJFYIABZSA-N 360.240 5.285 30 40 FKEB CCCCCCCC[n+]1c(C)n(CCCC)c2cc(Cl)c(Cl)cc21 3204263 LAZRIBKKERACSB-UHFFFAOYSA-N 370.388 6.705 30 40 FKEB O=C(/C=C/c1ccco1)N1/C(=N/c2ccccc2)SCc2ccccc21 3435480 UVGHGAUZGNTQDL-QSBVOPCTSA-N 360.438 5.261 30 40 FKEB Clc1ccc2c(NN=C3c4ccccc4-c4ccccc43)ccnc2c1 5572357 BRUFQAKLASGXSF-UHFFFAOYSA-N 355.828 5.733 30 40 FKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1 16755566 JNRTXZWLZHNFKL-UHFFFAOYSA-N 364.518 5.116 30 40 FKEB Oc1c(/C=N/c2ccc(/N=N/c3ccccc3)cc2)ccc2ccccc12 32101619 IFTWYXOICQEYGR-FNXKMIFFSA-N 351.409 6.711 30 40 FKEB CCCCCCCCCCCCCCC/C=C\c1ccc2ccccc2c1 104098051 MPEBPZLRHZEWBN-MNDPQUGUSA-N 364.617 9.334 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(=O)O)c2C)c1C 139804143 QSBMHUXXZJXCMF-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 408966151 KDEGLUBVHINJQV-MYYYXRDXSA-N 364.920 6.796 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 409010294 BVRHBKVDEXNJQD-DTVDJLOLSA-N 350.893 6.703 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 1772491770 NELMHAIFXJZDST-HFWOUJIZSA-N 370.533 5.396 30 40 FKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@H]1C[C@H]1c1ccccc1 1775975985 HVXXDLPSGXMGQW-IYWMVGAKSA-N 355.441 5.033 30 40 FKEB CCCCOc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1 4320769 BLXRUVRTEIDSFB-YRNVUSSQSA-N 352.405 5.955 30 40 FKEB COc1ccc(C(=N/Nc2ccccc2Cl)/N=N/c2ccccc2)cc1 5005038 FRCMNQIFSZFMIO-RKTCCGTESA-N 364.836 5.906 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 5901789 SOSXRSNYCRTBFU-CYBMUJFWSA-N 372.921 5.676 30 40 FKEB O=C1C(c2ccccc2)=C(Nc2cccc3c2CCCC3)c2ccccc21 6794085 COYLTUWQYIWJJL-UHFFFAOYSA-N 351.449 5.742 30 40 FKEB COc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)c1OC 6848467 WBYVDKIRNVGSMK-GDNBJRDFSA-N 374.849 5.089 30 40 FKEB N#Cc1cc2c(nc1SCc1ccccc1C(F)(F)F)CCCCC2 6898719 XGOAWMJEYFLFRF-UHFFFAOYSA-N 362.420 5.533 30 40 FKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)/C=C/c2ccccc2)cc1 12603135 ATZSKEIMONGKDA-XTUSGAOMSA-N 352.437 5.002 30 40 FKEB CCCCCCCCOc1ccc(-c2ccc(C(=O)OCC)cc2)cc1 101469865 BXPMEKJOVCPRAB-UHFFFAOYSA-N 354.490 6.270 30 40 FKEB CCCCCCCCCCCCCCCCCCOc1cccnc1C 103667163 BVYRTNAIHDCIJG-UHFFFAOYSA-N 361.614 8.030 30 40 FKEB CCCCCCCC/C=N\NC(=S)N/N=C/CCCCCCCC 104376452 UQCIIMNXRDVICN-WPDZNWIASA-N 354.608 5.923 30 40 FKEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C 408619123 GDOOPMVRCRZMAW-ZRDIBKRKSA-N 360.413 5.207 30 40 FKEB CCCCc1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408961120 RDVXDZICCDALDE-BUVRLJJBSA-N 361.441 6.046 30 40 FKEB CCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 409079167 KWJSOKQWXNYHAK-UKUDRTMLSA-N 374.868 5.493 30 40 FKEB O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccc(C(F)(F)F)cc1 721446 FPGXJVKHVQXHGR-UHFFFAOYSA-N 371.402 5.341 30 40 FKEB Cc1ccc2sc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc2c1 3084811 RWTGCLDPQMFQIM-YDZHTSKRSA-N 362.885 6.676 30 40 FKEB CCc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 5214617 QWAQDZSAIYPGPD-DHZHZOJOSA-N 371.263 6.712 30 40 FKEB COc1ccccc1NC(=S)N/N=C(C)/C=C/[C@@H]1C(C)=CCCC1(C)C 5659697 HGCQMEJITKEPIX-KTCIVTRPSA-N 371.550 5.296 30 40 FKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccccc3Cl)nc1-2 59459301 AYYMIAWXCKWYJB-SRZZPIQSSA-N 354.862 5.321 30 40 FKEB COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)C1=O 73311512 ZMWPUCGPHZVIMQ-XLIBOJQPSA-N 374.521 5.140 30 40 FKEB COc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1Cl 101091569 IHSLLCPRCFFVGN-UHFFFAOYSA-N 361.828 5.525 30 40 FKEB CCOc1ccc2nc(/N=C/c3cc(Cl)cc(Cl)c3O)sc2c1 101667560 TYNNEMQEUZLCGE-UFWORHAWSA-N 367.257 5.458 30 40 FKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408967473 SBNFVLRHZMKPKJ-MYYYXRDXSA-N 355.441 5.402 30 40 FKEB Cc1cccc(Cn2cc(/C=N\OCc3ccccc3)c3ccccc32)c1 409002321 TVNKRVNUKQTYHE-MYYYXRDXSA-N 354.453 5.549 30 40 FKEB CCCCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1 409005945 GPFPOLAWOCAFAK-JCMHNJIXSA-N 363.417 5.373 30 40 FKEB C[C@H](C[C@H](C#C[C@@H](C[C@@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410124 MFHYGSPZCFBNNN-CZYKHXBRSA-N 364.662 5.775 30 40 FKEB COc1cccc(/C=N/c2cc(-c3nc4ccccc4[nH]3)ccc2C)c1O 6694362 KZJGJCGWCYUTKR-YDZHTSKRSA-N 357.413 5.003 30 40 FKEB CC(C)(C)CC(=O)/C=C1\Nc2ccccc2N\C1=C/C(=O)CC(C)(C)C 17783777 RANMXTKETIAFKY-YZLQMOBTSA-N 354.494 5.302 30 40 FKEB Cc1c(C#N)c(NC(=O)c2ccc(Cl)cc2F)n(-c2ccccc2)c1C 32915672 UJKLDSHOGZCENK-UHFFFAOYSA-N 367.811 5.011 30 40 FKEB CC(C)=NNc1nc2c(cc(Cl)c3nc(NN=C(C)C)sc32)s1 57327748 SXGVPCPDVFNDJG-UHFFFAOYSA-N 366.903 5.175 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)c1 100116516 GOMFIEMQUQNYAO-YDZHTSKRSA-N 361.445 5.678 30 40 FKEB CC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 100222039 IYDJMMOUDSBAJQ-FYJGNVAPSA-N 367.246 5.193 30 40 FKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1ccc(Cl)cc1 408737615 FQSKNIHSCPVLGU-ZVHZXABRSA-N 374.875 5.742 30 40 FKEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(-c2ccccc2)cc1 408742752 YBWXWODYWCSCKO-ZHNJOBQTSA-N 353.425 5.095 30 40 FKEB Cc1ccsc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O 408997932 PBZGRCBJIWBNAK-QPEQYQDCSA-N 369.298 5.255 30 40 FKEB O=[N+]([O-])c1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409245421 SOIWSNFPFRSVDD-ZVHZXABRSA-N 373.387 5.488 30 40 FKEB COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1OC(C)=O 1059607 UULUBEXAZCBSHL-HZHRSRAPSA-N 360.413 5.115 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1 2738296 QIQXEQKOTPYCGJ-MRXNPFEDSA-N 366.530 5.342 30 40 FKEB Cc1cc(-c2cccnc2)c(C#N)c(SCc2ccccc2Cl)n1 4451052 QXPXWKJAXKVXAZ-UHFFFAOYSA-N 351.862 5.269 30 40 FKEB Clc1ccc(/C=N/Nc2nc(Cl)nc3ccccc23)c(Cl)c1 5224844 ZUZAKMDXNSRAJC-UFWORHAWSA-N 351.624 5.036 30 40 FKEB Cc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 5376313 QPDGAZBZENZHMQ-ZROIWOOFSA-N 363.269 5.193 30 40 FKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(C)c2O)c1 6263821 UQNQPEXXLGTDHV-UFFVCSGVSA-N 365.260 5.497 30 40 FKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2)n1 9422864 NELDRDUUVLLUPK-UHFFFAOYSA-N 350.409 5.562 30 40 FKEB CCOc1cccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O 13477498 PIKCXAGVBKQXQM-OEAKJJBVSA-N 358.397 5.350 30 40 FKEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc(C)cc1 16788748 UAJRPKGZZKXVBS-UHFFFAOYSA-N 357.429 5.010 30 40 FKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(F)cc1 408779289 UGZKCRMYMTWIIT-UUYOSTAYSA-N 371.253 5.746 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC 409201771 PPNIREURFGRCIO-UHFFFAOYSA-N 370.663 5.280 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C#N)C1 2736768 CAXHNZPTAZHBHR-ZDUSSCGKSA-N 356.491 5.315 30 40 FKEB Clc1cccc(COc2ccc(/C=N/c3cccc(Cl)c3)cc2)c1 3112642 RPZSQAPCOHBNFL-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB N#CCSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 12798511 KBXDTRXFPUIJIG-UHFFFAOYSA-N 374.465 5.134 30 40 FKEB CN(C)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)c(Cl)c1 16921132 YJHBMEDOZMZMLL-OYKKKHCWSA-N 359.860 5.258 30 40 FKEB O=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1 32100113 SLPWDFZNCKAZLT-LXNJSCKXSA-N 361.832 6.564 30 40 FKEB N#CCOc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 4975160 NXAYIWVAGRXNFI-FRQCXROJSA-N 371.267 5.722 30 40 FKEB O=C(O)c1ccccc1SC/C(=N/O)c1ccc(-c2ccccc2)cc1 6048818 GOYFAHYMURWRHE-QOCHGBHMSA-N 363.438 5.022 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3c4c(cccc24)-c2ccccc2-3)cc1 17108465 KJTGAJIINMQFBV-ZVHZXABRSA-N 350.377 6.146 30 40 FKEB C=CCOc1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 225868770 BNGFEZXRTPVETI-UHFFFAOYSA-N 358.532 5.069 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 408692714 SPXXHIOAXASFBR-SDNWHVSQSA-N 373.452 5.085 30 40 FKEB N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)cc1Cl 706766 GIFPQFCSKQJKRC-UHFFFAOYSA-N 372.280 5.614 30 40 FKEB CC1(C)CC(=O)c2cc(C#N)c(SCc3ccccc3Cl)nc2C1 1252432 YZLSAXGZYDUFCW-UHFFFAOYSA-N 356.878 5.054 30 40 FKEB O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 1560285 NUURGOCMONEDNX-GAADFGEESA-N 356.450 5.495 30 40 FKEB C(#CC(c1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1 2317560 IXFKFHMFLJTBRB-UHFFFAOYSA-N 371.568 6.042 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(O)cc1 6052952 WCTKDLKHTSCUJH-JLHYYAGUSA-N 372.449 5.203 30 40 FKEB C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1 13586051 KWRPKJFVOPXKBR-KEBDBYFISA-N 372.093 5.270 30 40 FKEB CC/C(C)=N\Nc1nc2cc3nc(N/N=C(\C)CC)sc3cc2s1 57327721 OIIOSDAIGFCHAI-KFSYKRRRSA-N 360.512 5.302 30 40 FKEB Clc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)s1 197729757 LUCWJBOROUIKOS-YDZHTSKRSA-N 355.934 6.620 30 40 FKEB C[C@H]1C[C@H](C(O)=Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CCO1 330027327 MXWHJXSMPINSHG-NWDGAFQWSA-N 365.260 5.459 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 408740318 BAZQSQWLMMARDK-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 408864691 YIKWVUIWNGMWLL-HLPMKXTMSA-N 366.486 5.462 30 40 FKEB C=CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@H](C)CC)C1=O 409010039 AZZCBFGWWUQMEY-NFECSFHCSA-N 367.470 5.239 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3ccccc3O)o2)c(Br)c1 409238100 ZAQWYTJAVNGCJF-JAIQZWGSSA-N 356.219 5.474 30 40 FKEB CC[C@H](C(=O)C=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 2049241034 MDGSZSJIRYOQHA-JWUVWSEFSA-N 356.506 5.299 30 40 FKEB Cc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1 2805813 ABUNVBCSWJKUJT-HWFUBKEOSA-N 369.493 5.449 30 40 FKEB C=CCNC(=O)c1sccc1SCc1c(Cl)cccc1Cl 3047289 XTPODOZUFPSORF-UHFFFAOYSA-N 358.315 5.263 30 40 FKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc(Br)c1O 6554905 CTTZFMCHMAZLPR-JZOCJUILSA-N 366.686 6.072 30 40 FKEB COc1cc(/C=N/c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 18100197 XZIDZXBMPAPXBK-OEAKJJBVSA-N 365.816 5.318 30 40 FKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Cl)c2O)cc1OC 32114740 GEMDAGQTYSAWIS-WSDLNYQXSA-N 374.868 5.242 30 40 FKEB CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccc(C#N)cc1 40135383 WEHBWYZMNIPVOF-OAHLLOKOSA-N 365.864 5.450 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)c1ccccc1O 95876673 NHLHASWXBVULGU-UHFFFAOYSA-N 362.554 7.030 30 40 FKEB CCCCCCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 100935803 XFMFOQOEJNXWNT-UHFFFAOYSA-N 357.369 5.866 30 40 FKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccccc2)c2ccccc12 408590822 IDDFXJXGOLRGBS-CVKSISIWSA-N 365.436 5.112 30 40 FKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Cl)cc1 409053711 OOIYZJSWMSAHMX-FXBPSFAMSA-N 355.846 5.205 30 40 FKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@H]1C[C@@H]1c1ccccc1 1775975992 HVXXDLPSGXMGQW-UAFMIMERSA-N 355.441 5.033 30 40 FKEB N#Cc1c(-c2ccccc2)cc(N2CCCCC2)n2c1nc1ccccc12 939699 UGPAVVGOOMAJBN-UHFFFAOYSA-N 352.441 5.016 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 3881616 RXZQACCASWKYSX-UIKVSBDLSA-N 373.537 5.347 30 40 FKEB biogenic,in-vitro C[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 5528128 JTSAIZIWQHTTID-SECBINFHSA-N 365.285 5.304 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 5667572 FSFFSHQVBVLQLB-ACCUITESSA-N 353.248 6.557 30 40 FKEB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1C#N 8113865 YBQPBNWQZJYZNN-UHFFFAOYSA-N 372.449 5.423 30 40 FKEB Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 8371743 WGKBHEGLZUIFQY-JVWAILMASA-N 369.439 6.617 30 40 FKEB CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1C 59663976 ZMUVPRRXKSSRGK-JJIBRWJFSA-N 367.489 6.183 30 40 FKEB Cc1cccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)c1 79112437 SDFCHUHRVCDYKF-FOCLMDBBSA-N 363.460 6.415 30 40 FKEB CCCCCCCCCCN(CCO)C(=O)Nc1cccc(Cl)c1 100934502 NOVFXUQNWTXHCJ-UHFFFAOYSA-N 354.922 5.307 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 223588187 BWXFLSVQILCOTL-AOBKZXEFSA-N 364.533 6.255 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)cc1 408776198 NEUYEOPZYZYJLJ-HAHDFKILSA-N 352.478 5.022 30 40 FKEB Cc1ccc(-c2nc(CC#N)sc2NC(=O)c2ccc(Cl)cc2)cc1 936606 KYDBHKFKRSQNPA-UHFFFAOYSA-N 367.861 5.090 30 40 FKEB O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1cccc(Cl)c1 1680120 QUPSUYWJGHGWMZ-LJQANCHMSA-N 350.805 5.417 30 40 FKEB CCO[P@](=O)(C#CC(C)(C)C)[C@H](Nc1ccccc1)c1ccccc1 2194181 QKBFVPZBQBAFCQ-NBGIEHNGSA-N 355.418 6.119 30 40 FKEB C=CCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CCCC3 2294302 MAVVFFMIOYQSTP-UHFFFAOYSA-N 352.507 5.059 30 40 FKEB Cc1nc2scc(C)n2c1/C=N/N(Cc1ccccc1)c1ccccc1 5072325 IOCASMPNXXDZJA-LPYMAVHISA-N 360.486 5.053 30 40 FKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCCCC2)cc1Cl 6402942 SLNFKIPBSVBAQH-IBGZPJMESA-N 367.880 5.450 30 40 FKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 59522317 KUYXULCVBXDVHA-HNNXBMFYSA-N 373.518 5.425 30 40 FKEB COc1ccc2c(-c3ccccc3)cc(N/N=C(\C)c3ccc[nH]3)nc2c1 96297942 JXUIXZQQOGGJML-MFKUBSTISA-N 356.429 5.075 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 103752139 BEKRFOBGHCZSGJ-UHFFFAOYSA-N 374.569 5.786 30 40 FKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408737836 HUFWABPPAXFIDI-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 1066585 GJBAEMNMJYPDND-QHCPKHFHSA-N 367.492 6.349 30 40 FKEB C=CCOc1cccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)c1 2109032 RRGKXVOOKQRWGZ-SWDTZWKESA-N 374.484 5.119 30 40 FKEB biogenic Oc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 4181642 NEGMCPBIEUXOAG-JBUVYWMZSA-N 366.464 5.969 30 40 FKEB Cc1cc(/C=N/c2ccc3cnccc3c2)c(C)n1-c1ccc(Cl)cc1 5739694 RVVXABKPHXGLCY-AFUMVMLFSA-N 359.860 6.046 30 40 FKEB CC[C@@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1cccc(OC)c1 7814253 GAQBFYCWOOLDDR-BSBNDGSWSA-N 374.893 5.004 30 40 FKEB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1cccc(C#N)c1 11344668 ANEYIQQFRMLMKU-GOSISDBHSA-N 369.468 5.004 30 40 FKEB Cc1ccc(/C(N)=N/c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 28405834 NEZANBQUHPTHNA-UHFFFAOYSA-N 369.493 5.823 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cn1 223512577 GTJONWNFKRHCNS-CFRMEGHHSA-N 363.505 5.560 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225408009 KGRQDFQVDYKHEB-MRXNPFEDSA-N 368.546 5.597 30 40 FKEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccc4ccccc34)nc1-2 408722572 LABJQHDTDRJHRX-FSJBWODESA-N 372.449 5.615 30 40 FKEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2O)c(C)n1-c1ccc(Cl)cc1 408737579 DZPIUMZHTKIYQO-SRZZPIQSSA-N 369.808 5.112 30 40 FKEB CC(C)c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408748595 FTLMNACMHWIOSD-LICLKQGHSA-N 356.878 5.355 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408755131 MOAPZGVFBWOEBH-KOEQRZSOSA-N 359.517 5.999 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408761746 HGQSKLULWUFSNK-PCLIKHOPSA-N 364.920 6.841 30 40 FKEB CCOc1ccc2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cn1 409094831 GHTBNPYSYWNPQV-WYMPLXKRSA-N 359.351 5.098 30 40 FKEB C=CCOc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 409329456 FSXXQKLZMUXNMY-ATVHPVEESA-N 371.845 5.146 30 40 FKEB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 705208 NRJXVSKKLFBEBW-QHCPKHFHSA-N 366.464 5.120 30 40 FKEB CC(C)(C)C#C[C@@H]1N(c2ccccc2)N=C(c2ccccc2)N1C(C)(C)C 5519976 GTUTUJVDOFKSRU-NRFANRHFSA-N 359.517 5.345 30 40 FKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 5551506 XRYWQDNKPZIMRE-XSFVSMFZSA-N 374.465 5.130 30 40 FKEB C=CCOc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 8104740 KQZCDUKRYCLRMJ-UHFFFAOYSA-N 359.425 5.083 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\NC(=S)Nc3ccccc3)o2)cc1 13286042 MZZVCSFUVJXTKL-MOSHPQCFSA-N 367.499 5.060 30 40 FKEB Cc1ccc(C(=O)/C=C(\CC(=O)c2ccc(C)cc2)c2ccccc2)cc1 13466801 VFNZUNFLWSWHHI-XQNSMLJCSA-N 354.449 5.843 30 40 FKEB COc1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 103753005 RHMNDLKZTQUNLD-LPYMAVHISA-N 373.368 5.162 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C2/CCCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 104160622 IHRPWSXWLYWEMJ-SBCIHWNMSA-N 368.393 5.019 30 40 FKEB N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1cccc2ccccc12 225883032 ZAFLKNUWUFTQHJ-UHFFFAOYSA-N 357.388 5.075 30 40 FKEB CCc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409209911 JSUXHMCUDLLITD-XYGWBWBKSA-N 372.468 5.326 30 40 FKEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 1051924 GEUKIKBSLIXFNN-BUVRLJJBSA-N 359.425 5.282 30 40 FKEB Cc1cccc(C(=O)Nc2ccccc2Sc2nc(C)cc(C)c2C#N)c1 1389891 JBQNMSBVDHGKCI-UHFFFAOYSA-N 373.481 5.282 30 40 FKEB C#CCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 2188627 PDGWWVJBBZQUHO-UHFFFAOYSA-N 366.898 5.727 30 40 FKEB COc1cccc(Cn2c(/C=C/c3ccc(C#N)cc3)nc3ccccc32)c1 4002807 MKCLOIDAFKAZEL-BUHFOSPRSA-N 365.436 5.135 30 40 FKEB Cc1nc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc1C 4414606 FFVBGHMKSUENSW-SRZZPIQSSA-N 371.893 5.438 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)o2)cc1 4510971 NZKLATTXLNDNKL-UNOMPAQXSA-N 353.403 5.093 30 40 FKEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\C=C\c2ccccc2)cc1 12466426 GWCRIJXFHJDDAE-DOVHKXGHSA-N 362.502 5.079 30 40 FKEB CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 408601156 IVEJDVFLMYIIJS-LTOJSDLTSA-N 365.502 5.245 30 40 FKEB Fc1ccc(COc2ccc(/C=N/Nc3ccc4ccccc4n3)cc2)cc1 408741952 OLDQFZORFYTALE-MFKUBSTISA-N 371.415 5.399 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2O)c1C 408966951 OFPLBKRYVDCWMY-QRVIBDJDSA-N 352.865 5.766 30 40 FKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1O 409114785 JHEYRJROPLQHPO-UHFFFAOYSA-N 361.441 5.534 30 40 FKEB Cc1ccc(COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1 409392072 NSMOJAAQGPWKNR-UHFFFAOYSA-N 354.405 5.037 30 40 FKEB O=[P@@](O)(Nc1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1 3174352 OZCKNOMIEOOTDH-UHFFFAOYSA-N 351.346 5.084 30 40 FKEB O=C(/C=C/c1cc(Br)cs1)c1cccc(OC(F)F)c1 6926137 SIIQNPMFXJEPRJ-SNAWJCMRSA-N 359.191 5.008 30 40 FKEB C=CCOc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 13688399 SQVUDYHBZBZARW-UHFFFAOYSA-N 357.453 5.289 30 40 FKEB O=C(/C=C\Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 16477036 MWCPYHVQYVDJSM-PFONDFGASA-N 361.828 5.380 30 40 FKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c(Cl)cc(Cl)cc21 17118242 AWBWELFHBWCXCB-DXNYSGJVSA-N 360.023 5.916 30 40 FKEB CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820610 LPDHEUAYGQADJL-WBMJQRKESA-N 372.925 5.381 30 40 FKEB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=CC2=O 43808049 UJOCQXHOSBJACO-FVEXOFTDSA-N 358.481 5.467 30 40 FKEB CCCCCCCCCCCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 70673756 AZHTWBZMAZSEKV-OAQYLSRUSA-N 370.537 5.296 30 40 FKEB biogenic CCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103525939 XRPRVOFBSVJYLG-UHFFFAOYSA-N 352.378 7.520 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc2C(C)=CC1(C)C 223500218 GFGPVKLRRGPJHL-XYGWBWBKSA-N 361.533 5.833 30 40 FKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408908875 DSYPYVPDFZJKPG-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB C(=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c12)\c1ccccc1 408978169 YOMHYEHWSJEYNZ-WSDLNYQXSA-N 355.353 5.493 30 40 FKEB COc1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1Cl 409012325 QNJQIRIOFKRVNT-WSDLNYQXSA-N 359.256 5.852 30 40 FKEB CCCN1C(=O)/C(=C/c2cc(C)n(CC)c2C)SC1=Nc1ccccc1 409095999 FDFAJBOSNXMUEQ-IMQDXXIXSA-N 367.518 5.139 30 40 FKEB Clc1cccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)c1 409210748 GPRKJZZRZFGKCW-WGOQTCKBSA-N 371.867 6.823 30 40 FKEB Cc1cccc(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c1O 724158 IBPNIJQXILPKPR-ZVHZXABRSA-N 355.393 5.225 30 40 FKEB CCCCCCC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 1572426 WBAONCHOBJOYPA-NTCAYCPXSA-N 367.445 5.727 30 40 FKEB CCOc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 3042849 QIOKHDPULBPMQQ-WSDLNYQXSA-N 360.240 6.403 30 40 FKEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@H](C)c1ccccc1 5453236 PSBKHFFWZVACEH-QGZVFWFLSA-N 368.484 5.793 30 40 FKEB N#Cc1ccc(CSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)cc1 8992534 OCDSXLMAAOGECR-UHFFFAOYSA-N 373.403 5.015 30 40 FKEB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)Sc2ccccc21 33168611 OTKXJUAHFWTFQN-FRKPEAEDSA-N 356.244 5.260 30 40 FKEB Cc1ccc(Oc2cc(CNc3snc(Cl)c3C#N)ccn2)cc1C 70040632 WDLBWRLSLSGGMV-UHFFFAOYSA-N 370.865 5.084 30 40 FKEB Clc1cccc(/N=C2\C/C(=N\c3cccc(Cl)c3)c3ccccc32)c1 100402673 KKCWMRSKZNFKQD-CTWPWMDCSA-N 365.263 6.639 30 40 FKEB CCOc1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 408734207 CDFSEUUSDODYPG-CVKSISIWSA-N 370.496 5.973 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)c1 408753177 DZDKBJRBLQFGMK-FMCGGJTJSA-N 357.284 6.460 30 40 FKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967117 PICPCJIAEBIRCX-MFKUBSTISA-N 374.484 5.840 30 40 FKEB CCOc1ccc2ccccc2c1-c1c(-c2ccccc2)c[nH]c(=N)c1C#N 408979295 MEWBPSMXIJVSDR-UHFFFAOYSA-N 365.436 5.252 30 40 FKEB Oc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 409022969 AERJYUWAYAPXLG-JJIBRWJFSA-N 353.425 5.677 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 409109571 HKOLKZVMNMUWCW-UHFFFAOYSA-N 366.288 5.877 30 40 FKEB C#CCOc1ccc(CNc2cccc(Cl)c2C)cc1Br 409122488 ZRTDRPRWCYPIFT-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB O=C1C2=C(c3ccccc31)[C@@H](c1ccccn1)Nc1ccc3ccccc3c12 659353 JWEINFGVJDAAFW-XMMPIXPASA-N 360.416 5.509 30 40 FKEB N#CCCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 1738335 OBEYDJRXTUFTDS-UHFFFAOYSA-N 373.806 5.439 30 40 FKEB COc1ccc(/C=N\Nc2cc(C)nc3ccc(F)cc23)c2ccccc12 5392955 ZYTXJKDPCSHKCV-CFRMEGHHSA-N 359.404 5.290 30 40 FKEB CCc1ccc(/N=C2/N=C(Nc3ccc(CC)cc3)c3ccccc32)cc1 6179616 PSRHDIJNJZCMSI-UHFFFAOYSA-N 353.469 5.762 30 40 FKEB COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 7278559 VKHJAVUDYFLKJD-UHFFFAOYSA-N 362.816 5.140 30 40 FKEB N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 16385121 ISAMZUMYVFCXGZ-UHFFFAOYSA-N 356.256 5.255 30 40 FKEB CCOc1cccc(/C=N/c2ccc3nc(-c4ccc(C)cc4)oc3c2)c1O 80340399 YNHAHPRNDXXLFF-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 223612213 PJNKQNJCIVMBFT-JHKMYFMNSA-N 362.561 6.809 30 40 FKEB Oc1c(C=Nc2ccc(Cl)cc2Br)ccc2ccccc12 260840552 BWIZWANOEHYZIH-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB CC/N=C1\S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)N1CC 408859421 UEOASINQXCKAQW-ZZCYQEOYSA-N 372.515 5.051 30 40 FKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408964265 CNXFTUZIVBELGD-YZSQISJMSA-N 358.529 6.705 30 40 FKEB CCN1C(=O)/C(=C\c2c(C)cc(C)cc2C)S/C1=N/c1ccc(F)cc1 409235972 QXMVSUDATNIZPE-JUAGQRJUSA-N 368.477 5.375 30 40 FKEB CCCn1c(/N=C/c2ccc(OC)c3cccc(OC)c23)nc2ccccc21 726771 HLNBBMIFCTUHKV-BUVRLJJBSA-N 373.456 5.367 30 40 FKEB COc1ccc(N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1OC 4154606 OHFMRHBLNJMWKY-UHFFFAOYSA-N 355.478 5.304 30 40 FKEB COc1ccccc1/C=N/c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 4460322 ARJDPEJNIKAGDP-NZTOXLHLSA-N 359.400 5.481 30 40 FKEB biogenic CCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)c(Cl)c2)c1C#N 5657127 PRPYRPNLYOWENV-UHFFFAOYSA-N 369.251 5.993 30 40 FKEB O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6926412 BBTZUYWNNHBHRM-UHFFFAOYSA-N 366.236 5.507 30 40 FKEB CC(C)CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc1 13068646 UWJMGMHSMJYJMK-UXBLZVDNSA-N 366.457 5.169 30 40 FKEB C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC 33645785 WACLCVBXYVXWJY-UHFFFAOYSA-N 366.244 5.209 30 40 FKEB Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461321 WPVIGIZNUAJBKB-GNSOHCBRSA-N 356.834 5.530 30 40 FKEB O=C(Nc1cccc(/N=C/c2ccc(Cl)cc2)c1)c1cc2ccccc2o1 102417221 YURHZCCKYVAHOV-ZVHZXABRSA-N 374.827 6.089 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=C5\C=CC(=O)S5)CC[C@@]43C)[C@@H]1CC[C@H]2O 118927706 JWXSORBJXRIMRM-LKVZNGBFSA-N 370.558 5.394 30 40 FKEB CCCCCCCCOc1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1 2297581 IMTBIAJCZLHJAF-UHFFFAOYSA-N 371.477 5.248 30 40 FKEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1cccc(C(F)(F)F)c1 3128334 SWPBXHPQMFVQFQ-UHFFFAOYSA-N 374.362 5.929 30 40 FKEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4292782 JLYOCXZWBIGPOB-KQWNVCNZSA-N 352.850 5.112 30 40 FKEB CCC[N+]1(CC#C[C@@](O)(c2ccccc2)C(C)(CC)CC)CCCCC1 4808555 IVLDLBHQZTZBKF-XMMPIXPASA-N 356.574 5.115 30 40 FKEB COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccc(C(C)(C)C)cc1 5361025 PTMUMSYCVBJGAG-HIXSDJFHSA-N 365.473 5.199 30 40 FKEB COc1ccc2c(C)cc(N/N=C/c3ccc(OC)c4ccccc34)nc2c1 5552759 UXTPIEAVVBFYIV-ZVHZXABRSA-N 371.440 5.160 30 40 FKEB C=CCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 5639093 GPTHYEOXDZLKOL-UYRXBGFRSA-N 360.438 5.068 30 40 FKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)cc1C 6478089 LZVBHJWRCQHBHH-ULJHMMPZSA-N 366.877 5.420 30 40 FKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1 6959915 WYNPGAQHMQWVPN-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 8972864 JTDWFYRLSJJYTL-UHFFFAOYSA-N 374.362 5.423 30 40 FKEB C/C(=N\OCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 12350951 ALUIIALLCWZYMA-LSFURLLWSA-N 363.166 5.348 30 40 FKEB Cc1nc(SC[C@H](C#N)CCC#N)c2c(-c3cccs3)csc2n1 12798090 ZKHLUPWNRGNDDI-LBPRGKRZSA-N 370.528 5.264 30 40 FKEB Cc1ccc(/N=C2/C/C(=N/c3ccc(C)c(C)c3)c3ccccc32)cc1C 100102051 CAYRAYBHVSEUSA-DSOYXUETSA-N 352.481 6.566 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=C5\C=CC(=O)S5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118927702 JWXSORBJXRIMRM-BOKFNHJKSA-N 370.558 5.394 30 40 FKEB N#Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339634 KYDLGYNRGLAGBK-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB Cc1ccccc1/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408937592 GYUPQLBLIDJVIK-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB CCCCCCCCNC(=S)Nc1ccc2cc3ccccc3nc2c1 409190247 QPRANJNTCRUMIX-UHFFFAOYSA-N 365.546 6.035 30 40 FKEB Fc1ccccc1COc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl 409214818 URRWVTCJRQIWOV-WYMPLXKRSA-N 374.242 6.462 30 40 FKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccccc1 3308745 WZPCYUUAKZAYOL-DEDYPNTBSA-N 356.421 5.097 30 40 FKEB N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 4002814 FYENBMSAKZTTRC-OUKQBFOZSA-N 369.855 5.780 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C(\Oc2ccc(Cl)cc2)c2cccs2)cc1 4293486 FCIPJDJZEJKTIZ-JZJYNLBNSA-N 373.821 5.162 30 40 FKEB C=CCn1c(SCc2cccc3ccccc23)nnc1-c1ccoc1C 6911137 CYRXYEKTUHCHIR-UHFFFAOYSA-N 361.470 5.478 30 40 FKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(N)=S 17109926 YRHMFELWQFBOTP-QFVJZTAWSA-N 358.338 5.166 30 40 FKEB CCCCCCCOc1ccc(/C=N/Nc2cc(Cl)nc(C)n2)cc1 100506531 YMGKIUMGKRMVCA-KGENOOAVSA-N 360.889 5.234 30 40 FKEB CCCCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 102568140 CMJWKDDJFSCYOU-UHFFFAOYSA-N 363.904 6.118 30 40 FKEB C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 225405010 FRTLZEAIXDNARZ-OAHLLOKOSA-N 351.519 5.098 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccccc1 408909371 HHTBYJDJJATYSM-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1C 408968804 ZJAFUMKYLHKDDU-UCQKPKSFSA-N 361.445 5.624 30 40 FKEB Nc1c(Cl)cc(/N=C/c2cccc3cccc(C(=O)O)c23)cc1Cl 826342 VDCLQYYFYFRYHY-LSFURLLWSA-N 359.212 5.178 30 40 FKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1 4070079 BUZOSHBMZVVXHV-CQSZACIVSA-N 368.502 5.176 30 40 FKEB Clc1nc(N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2n1 5280403 TXLJKGMFCDBJAW-UFWORHAWSA-N 351.624 5.036 30 40 FKEB CC(C)=CCC/C(C)=C/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5505300 PYSAKFGPHRENQE-MPBWTNTLSA-N 355.360 5.704 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 6252864 WOPHIPRORFWSNE-UHFFFAOYSA-N 363.416 5.527 30 40 FKEB COc1ccc(-c2c(/N=C(\O)c3ccccc3)oc3ccccc3c2=O)cc1 6814175 HRSDOJVIXUENHI-UHFFFAOYSA-N 371.392 5.105 30 40 FKEB C[C@@H](/N=C(/S)Nc1ccc(OC(F)F)cc1OC(F)F)C(C)(C)C 8687906 XOAZEISOVKGUTO-MRVPVSSYSA-N 368.396 5.022 30 40 FKEB C=C(C)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CO1 12581164 OVYOYZJVXLCRTB-IBGZPJMESA-N 362.498 5.284 30 40 FKEB FC(F)(F)c1cccc(/N=C/C=C\Nc2cccc(C(F)(F)F)c2)c1 17886610 RZUIQNCSIZJPGE-MUVGXKKNSA-N 358.285 6.052 30 40 FKEB COc1ccc(Br)cc1C(=O)/C=C/c1cc2ccccc2o1 26534188 XYSIXSXYAOIIFQ-BQYQJAHWSA-N 357.203 5.100 30 40 FKEB C[C@@H]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Br)c2C1 96511109 GOHWEYJPFWTIFE-SNVBAGLBSA-N 361.670 5.161 30 40 FKEB CCCCCCCCCC(=O)c1cc(CCCCCC)c(OC)cc1O 100925763 RPMLUPOQZCGDET-UHFFFAOYSA-N 362.554 6.847 30 40 FKEB CCOP(=O)(OCC)[C@@H](/N=C/c1ccc(OC)cc1)c1ccccc1 102232878 PZMKKTCBUONWCW-NGYXKBBWSA-N 361.378 5.079 30 40 FKEB FC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526415 CNYBSNUPKFWYHL-UHFFFAOYSA-N 366.092 5.432 30 40 FKEB COc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1Cl 198148396 XNZXJZGYMKMBPW-ZMOGYAJESA-N 368.908 6.039 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408782286 GVBDZYFFNAVTGE-FSJBWODESA-N 357.284 6.460 30 40 FKEB C[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)s3)c2C#N)C1 1057989 VCJMPQVPDHJFON-SEYNJHBTSA-N 365.321 5.319 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1 8368141 YOOORKVLCXBACC-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9196110 UQCRJWCQWBVOMM-FSJBWODESA-N 373.283 5.669 30 40 FKEB CSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 26896844 UVPZUWPGBCNCAX-INIZCTEOSA-N 374.914 5.545 30 40 FKEB C=CCN(Cc1cccs1)C(=O)c1cc2cc(Cl)ccc2nc1C 32865614 AKPSHVAGSWBLBM-UHFFFAOYSA-N 356.878 5.087 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCO 100923834 CHNBSTIXFLLHRO-UHFFFAOYSA-N 358.631 5.553 30 40 FKEB CC(C)c1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 198085345 KBAOLTXUIYKWDN-FRQJIFLKSA-N 368.952 6.936 30 40 FKEB COc1cccc(/C=N\Nc2ccccc2)c1OCc1ccc(Cl)cc1 409079901 GVJJNTVKJCKBJU-UCQKPKSFSA-N 366.848 5.374 30 40 FKEB Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 409103276 XRWLZUVSIRLNQR-LPYMAVHISA-N 366.804 6.100 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(F)cc1 1817008 FRSHRQAJGUOAGM-VGOFMYFVSA-N 367.232 5.024 30 40 FKEB CCC(C)(C)C1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 3292051 BTEUPJLUNICIRF-BUOZRGFLSA-N 356.556 6.692 30 40 FKEB COc1ccc(/N=C/C=C/C=C2/Sc3ccc4ccccc4c3N2C)cc1 5336357 POHNYECADADSPH-KFRNMFHBSA-N 372.493 6.190 30 40 FKEB Clc1cc(Cl)c(N/N=C/c2cccc(Cl)c2Cl)c(Cl)c1 5785203 YGONDFIFXRJQEX-KPSZGOFPSA-N 368.478 6.400 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OC 8570812 NVSNBFUIHGZLLI-UDWIEESQSA-N 360.251 5.082 30 40 FKEB C/C(=N/OC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 16136671 RYALUQSCFGTTSH-FMCGGJTJSA-N 373.239 6.119 30 40 FKEB Cc1ccc(NC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)c(C)c1 104206170 KDBAADSIQVNVID-UHFFFAOYSA-N 369.515 5.489 30 40 FKEB Cc1ccc(C)c(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408540933 CXXRWDOYOMDATA-MSXFZWOLSA-N 372.424 5.348 30 40 FKEB COc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccccc2)cc1 408723423 UIUZPWFXMVFNCK-LFVJCYFKSA-N 370.477 6.236 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 409150681 DLVCKHNISXTRPI-UWVAXJGDSA-N 370.374 5.434 30 40 FKEB C=CCc1cc([C@@H](CC)[C@H](CC)c2ccc(O)c(CC=C)c2)ccc1O 1724727 LEQXJAGLXSFBMP-FGZHOGPDSA-N 350.502 6.242 30 40 FKEB Cc1ccccc1C(=O)[C@@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 3236401 HXWKTHILVIGJQT-CYBMUJFWSA-N 360.360 5.114 30 40 FKEB Cc1ccccc1/N=N/C=N/Nc1nc2ccccc2n1Cc1ccccc1 4730328 XHJMKANRIFMCHJ-LUAUCQQWSA-N 368.444 5.532 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 7939541 KUAXPMLKJAGXFM-OVCLIPMQSA-N 369.420 5.042 30 40 FKEB O=C1C(O)=C(CCCc2ccc(C3CCCCC3)cc2)C(=O)c2ccccc21 8627321 XJQCCHCCGDHNTB-UHFFFAOYSA-N 374.480 5.948 30 40 FKEB O=C(/C=C(\Nc1ccccc1)c1ccc(Br)cc1)C(F)(F)F 13400956 UUPDDGVCWUYWDV-UVTDQMKNSA-N 370.168 5.034 30 40 FKEB O=C(/C=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 16952490 VDNQZBHCHGNCCL-CCEZHUSRSA-N 368.392 5.639 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)c1C 408591165 IUBCHGLSCKFPCH-AFUMVMLFSA-N 357.457 5.133 30 40 FKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)c1 408767878 ADJDWZNSVPFWGB-ZMOGYAJESA-N 364.420 5.079 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OCC 409114235 GHTIUWXUYSRTTH-UHFFFAOYSA-N 351.490 5.553 30 40 FKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1 1079547 YXRBZFPXBRDLCH-QGZVFWFLSA-N 369.823 5.007 30 40 FKEB Cc1oc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C#N)c1C 1958860 HQUGDOFDOHBHRY-DHRITJCHSA-N 353.425 5.522 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 4475412 BGCUGTLEOHYSNW-UDWIEESQSA-N 372.291 5.409 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)cc(OC)c1O 12788824 FKXFUGBSRMJEQX-CMDGGOBGSA-N 366.438 5.034 30 40 FKEB C=CCOc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 13688401 OHZXYFAKBPRDGB-UHFFFAOYSA-N 357.453 5.289 30 40 FKEB O=C(O)c1ccc(/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 15229930 ILNDZSZMLOJPSY-FBHDLOMBSA-N 360.196 5.702 30 40 FKEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 20038543 PLENHUJLRPFWHQ-NRFANRHFSA-N 361.441 5.201 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCC 79930599 FIENEGBWDWHXGG-BUHFOSPRSA-N 366.630 8.147 30 40 FKEB COc1ccc(/C=N/CC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1 100759672 OUCBQFUPVWLMFD-NMHVKZKSSA-N 359.554 5.762 30 40 FKEB biogenic CCCCC[C@@H](CN(C)C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N/O 104194341 NRHHMCVOSSAKLS-LSLCKSPRSA-N 357.325 5.595 30 40 FKEB CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)OCCC 104388540 VQXMBCHWQMSJHU-WOJBJXKFSA-N 358.563 5.143 30 40 FKEB O=C(O)c1cccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 711949 VGLQCZSDGDXIPH-YDZHTSKRSA-N 365.816 5.368 30 40 FKEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc(F)cc1 2423610 MJMCKBPRVIXTQU-UHFFFAOYSA-N 357.388 5.041 30 40 FKEB CC(C)n1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc21 3635914 UOHDRLYJRWNHFF-XDHOZWIPSA-N 361.470 5.114 30 40 FKEB O=C1ON(c2ccccc2)[C@@H](c2cccc(Cl)c2)N1c1ccccc1 4946172 JHPKVLCYBMCAFI-IBGZPJMESA-N 350.805 5.417 30 40 FKEB CCCOc1ccc(/C=N/Nc2ccc3ccccc3n2)c(OCCC)c1 5693969 DWIFTXSTPSWGSF-XQNSMLJCSA-N 363.461 5.258 30 40 FKEB CCOc1ccc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)cc1 27025833 KPAGBHYDSQPEII-XMHGGMMESA-N 370.408 5.045 30 40 FKEB N#Cc1c(Cl)nc(N/N=C\c2ccc(Cl)cc2)c(Cl)c1Cl 32119730 NTMAKPIOXDYYCL-SWNXQHNESA-N 360.031 5.013 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(NCc3ccc(OC)cc3)o2)CC1 41154521 GXFLFHZGYOPILP-UHFFFAOYSA-N 367.493 5.631 30 40 FKEB C=C(c1ccccc1)[C@]12CC[C@H](O)[C@H]1CC(CCOC)=C2c1ccccc1 247888453 SHAUTEXJXGINNM-GIFXNVAJSA-N 360.497 5.351 30 40 FKEB CCCCc1ccc(/N=C/c2ccccc2I)cc1 408550752 JOZOGQFKZGKVHU-CPNJWEJPSA-N 363.242 5.384 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409105960 LUQSHJHTVZMYLL-FLVDCRJSSA-N 366.505 5.568 30 40 FKEB Cc1cccc(-c2nc3cc(/N=C/c4c(C)cc(O)cc4O)ccc3o2)c1 711465 JGVMROWMYCMACQ-FSJBWODESA-N 358.397 5.273 30 40 FKEB N#Cc1ccc(CSc2nc(Nc3ccccc3)c3ccccc3n2)cc1 3340115 RORUXMYARCOZBC-UHFFFAOYSA-N 368.465 5.537 30 40 FKEB CCCCc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 4402136 GRHQXUWRLNDVOW-BUHFOSPRSA-N 358.279 5.600 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 4575483 AYFBHRMYGABZTL-MDZDMXLPSA-N 353.771 5.730 30 40 FKEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1 4871687 DYFOIMFBZQFOSU-HZHRSRAPSA-N 369.534 5.093 30 40 FKEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 6048594 BFWHPZLJKAGQQV-RUDMXATFSA-N 369.631 5.330 30 40 FKEB O=C1/C(=C\c2ccc(O)cc2)CCC/C1=C/c1ccc(Cl)c(Cl)c1 16958906 IMLOAMSUXFEQKT-XCMCHEKJSA-N 359.252 5.919 30 40 FKEB CCN1C/C(=C\c2ccc(C)cc2C)C(=O)/C(=C/c2ccc(C)cc2C)C1 20470056 HMCYISRLZDBXPO-RNIAWFEPSA-N 359.513 5.292 30 40 FKEB Cc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(C)c1OCc1ccccn1 36832214 VQGRDBSYGSUDCC-DHZHZOJOSA-N 368.436 5.045 30 40 FKEB COc1cc(/N=C/c2c(F)cccc2Cl)ccc1NC(=O)c1ccco1 100384318 QNUVLABDACMHGJ-SSDVNMTOSA-N 372.783 5.084 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCCC 100925783 NIKYTJPIOQZULN-UHFFFAOYSA-N 370.686 7.361 30 40 FKEB Clc1ccccc1[C@@H](C/N=C\c1ccncc1)c1c[nH]c2ccccc12 104726762 BOSDQPDSTGFAPD-WEPUMBSASA-N 359.860 5.467 30 40 FKEB COc1ccc(Oc2ccc(/N=C\c3c(C)n(C)c4ccccc34)cc2)cc1 408813217 OTSGGVAQNMHING-XYGWBWBKSA-N 370.452 6.038 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(Cl)c3)c2C#N)C1 409199931 FWXOSNPOSYKTIA-GKGMIHAQSA-N 356.922 6.175 30 40 FKEB CCCCCCC[N+]1(CCc2ccccc2)CCN=C1Cc1ccccc1 1681371 VHNWAAAAXOFAAV-UHFFFAOYSA-N 363.569 5.671 30 40 FKEB CCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1820894 RWBFVZAVUSCOCS-UHFFFAOYSA-N 365.539 5.493 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3Cl)n2)cc1 4975299 FUBRCIJLCGXRGT-AWQFTUOYSA-N 362.285 5.871 30 40 FKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(F)F)cc1OC(F)F 6048149 IHABYVNCNKTGPR-QPJJXVBHSA-N 374.717 5.439 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 12561954 OWHCXHQIYPMICR-UZYVYHOESA-N 361.297 5.942 30 40 FKEB CCCC/N=C1\S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1CCCC 35042004 VFXDRRMPAOBHMV-VYADPRQXSA-N 358.551 5.683 30 40 FKEB CCCCCCCCCN/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O 97944454 QHYLXFOEUQJYPW-SDXDJHTJSA-N 362.901 5.215 30 40 FKEB C=CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1C 408613505 UUDBKEXLVQTRER-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408740751 MGBAXAYTFUNKCG-LFVJCYFKSA-N 361.489 5.309 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)c1 408753674 HEBYRJKFPYSYPL-LPYMAVHISA-N 367.290 5.916 30 40 FKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 408760410 YDVDRKHJLAAEOG-IWIPYMOSSA-N 360.457 5.330 30 40 FKEB Cc1ccc(Sc2ccc(NC(=O)c3ccccc3C)cc2C#N)cc1 3104505 WCOIFYQSYFMJRO-UHFFFAOYSA-N 358.466 5.579 30 40 FKEB Cc1cccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c1 9547974 PRWXEKJRNCOPNY-WAHJLDKCSA-N 368.432 5.703 30 40 FKEB Cc1ccc(C(=O)/C=C/C2=C[C@@H]([C@@H]3CCCCCN3)c3ccccc32)cc1 97447430 AESHSURTBODTEF-HPYXHBHTSA-N 357.497 5.447 30 40 FKEB CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1 98001239 GNELUUFZICWBAE-UHFFFAOYSA-N 374.569 6.205 30 40 FKEB biogenic CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)c(C#N)c1 225846746 NFHLDOCFKXTEBH-NRFANRHFSA-N 360.498 5.051 30 40 FKEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)c1 225885261 FIAXFHNUOVUWCO-UHFFFAOYSA-N 351.837 5.053 30 40 FKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 408743049 YXPFSGUIYXBOSN-HZHRSRAPSA-N 352.478 5.537 30 40 FKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/Nc2ccccc2)c1 408807083 BZHNQYLDEZNPHP-YDZHTSKRSA-N 371.267 6.018 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 408911508 ZRMYDEUFOFLBQE-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408964515 CWNOWXFXCRITLR-CVKSISIWSA-N 367.452 5.596 30 40 FKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3cccc4ccccc34)c2)c1 409201594 MWHDUROTDQTEGR-PKAZHMFMSA-N 365.476 6.786 30 40 FKEB C(#Cc1ccccc1)C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 1749109 XFQGGWXALLPEGP-UHFFFAOYSA-N 364.512 5.244 30 40 FKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccc(F)cc1 3128319 LOFQYVSMDLIWBX-UHFFFAOYSA-N 359.187 5.858 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 12574500 WTNXZCKPJJBXOT-BUHFOSPRSA-N 370.477 5.805 30 40 FKEB O=C(C1=C[C@H]2Cc3ccccc3[C@H]2C=C1)c1ccc(Br)cc1 36692406 YOUJEBXQCVILQB-APWZRJJASA-N 351.243 5.084 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)c1 59426965 QHKYPMREEWPVAP-LPYMAVHISA-N 362.433 5.065 30 40 FKEB CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)OCCC 104388543 VQXMBCHWQMSJHU-PMACEKPBSA-N 358.563 5.143 30 40 FKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408709810 XFWQNUJATPVXAK-UHFFFAOYSA-N 360.542 5.180 30 40 FKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCCC 409110573 WRJBJBPMNBLJTK-UHFFFAOYSA-N 353.506 5.832 30 40 FKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCCC 409119891 URQPZNFDBWAZJM-UHFFFAOYSA-N 359.897 5.786 30 40 FKEB CC(C)(C)NC(CCNC1CCCCC1)=Nc1c(Cl)cccc1Cl 1572275 HBUXVQSIXUBBBS-UHFFFAOYSA-N 370.368 5.724 30 40 FKEB N#C[C@@H]1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1 2035517 HDBNACUXCQVKEU-JOCHJYFZSA-N 351.409 5.496 30 40 FKEB N#C[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 2570953 VRIGHLDDQQOJIT-FGZHOGPDSA-N 359.856 6.004 30 40 FKEB C/C(=N\N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 4475611 VLCRQHOQYAAGHY-GSGFELSVSA-N 369.493 5.531 30 40 FKEB CCCCC[C@H](F)/C=C/[C@H]1CC/C(=N/O)[C@@H]1CCCCCCC(=O)O 4617452 LQQORSBLZLAVKX-OMMWTFMSSA-N 355.494 5.743 30 40 FKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 5023531 UZEVHBDXFBLUFO-LHLOQNFPSA-N 368.465 5.612 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C#N)C1 12983584 PKEJBMSUHBAMSE-JTQLQIEISA-N 364.392 5.016 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(O)cc2)c2ccccc21 18285307 MODAMNKNAAZQCP-JOCHJYFZSA-N 357.434 5.259 30 40 FKEB CCCCCCCNCc1cccc(OC)c1OCc1ccccc1F 102568286 RHKSDIZJGDFKAV-UHFFFAOYSA-N 359.485 5.473 30 40 FKEB CCCCCCCCCCCCC[C@@H](O)CCCCCCCC(=O)O 104356633 CCLWQKIJFKKZPD-OAQYLSRUSA-N 356.591 6.864 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4cccs4)cc3)[C@H]2C1 408936913 LHYUYWDPUVPCNO-HHPFVMFBSA-N 356.494 6.325 30 40 FKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 409051831 NHFKFZRWPONZBK-QQQPHYRHSA-N 364.430 5.220 30 40 FKEB CCCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 409091142 PRFCUZBAIDDUOV-WMUNDEBQSA-N 356.878 5.354 30 40 FKEB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)Cc2ccccc21 409368486 YFKOORPYVQRXHS-CPNJWEJPSA-N 360.840 5.741 30 40 FKEB C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc(C2CCCCC2)cc1 6389331 QPBUALFPUMKJEX-JJIBRWJFSA-N 365.546 5.753 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)o1 69532408 WYTMQIMXDFKSIY-ZHACJKMWSA-N 360.438 5.398 30 40 FKEB C/C(=N/Nc1cc(C)c2ccccc2n1)c1ccc(-c2ccccc2)cc1 96399176 KVIZZQOPRXGOAM-ITYLOYPMSA-N 351.453 6.046 30 40 FKEB CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)OCCCC 100298161 TWYGFFMOKNIFGX-LEWJYISDSA-N 372.590 5.533 30 40 FKEB CCCCCCCCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O 102241519 GBHSITIUPDJHHB-UHFFFAOYSA-N 371.525 5.514 30 40 FKEB CCCCCCCCCCCCNCC1=C(O)C(=O)c2ccccc2C1=O 104084735 OQROPUGEGAMNFO-UHFFFAOYSA-N 371.521 5.388 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1 260562802 BWXFLSVQILCOTL-SDPDQUOZSA-N 364.533 6.255 30 40 FKEB O=C(Nc1ccccc1)c1c(/N=C\c2cccnc2)sc2c1CCCC2 408857986 QWGYFOUVOJQZDS-UCQKPKSFSA-N 361.470 5.025 30 40 FKEB Cc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408915952 SIWXVNXXCQKZMR-RERTVAKNSA-N 370.477 5.804 30 40 FKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCCC 409112691 FYHTWVFJNSOYQI-UHFFFAOYSA-N 359.897 5.786 30 40 FKEB CC[C@H](C)OC(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809117 IUWIXOJFYRYZTI-LURJTMIESA-N 364.204 5.002 30 40 FKEB CCc1ccc(/N=C2/C(=O)N3c4c2cc(OC)cc4[C@H](C)CC3(C)C)cc1 1411198 BDQLENSBJHOIPB-XHWMPCBKSA-N 362.473 5.011 30 40 FKEB N#Cc1c(Cl)nc(NN=C2C3CC4CC(C3)CC2C4)c(Cl)c1Cl 4405265 FHDIKSHVZHOMPD-UHFFFAOYSA-N 369.683 5.137 30 40 FKEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1F)c1c(ccc3ccccc13)N2 4868225 WKVQFMNVVWDLMS-JOCHJYFZSA-N 361.391 5.683 30 40 FKEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(Cl)cc1Cl 5551093 YJBRYZCKCGDICR-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1 6396568 LLDGGNLSKXULBN-LFVJCYFKSA-N 358.441 5.082 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cccc(C)c1C 26570109 VVDPELJRYRZYGT-UHFFFAOYSA-O 355.914 5.902 30 40 FKEB Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 59463804 KQOSFWIEYUZWLD-PCLIKHOPSA-N 368.505 6.845 30 40 FKEB Cc1ccc(C2=NOC(=O)/C2=C/c2ccc(F)c(Oc3ccccc3)c2)cc1 100136311 LJVDBXMYIRIPSK-CPNJWEJPSA-N 373.383 5.271 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)Cc2ccccc21 137743061 NBJFEBWORCOQST-NTCAYCPXSA-N 365.226 5.532 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 216848010 CAKWFGBDFUDWPR-UHFFFAOYSA-N 355.192 5.054 30 40 FKEB COc1ccc(/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223542242 DVWMEPVEEVSEJE-HZRSJKMUSA-N 350.506 5.946 30 40 FKEB COc1ccc(C/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408764934 NWGMXPITZBNSLV-UCQKPKSFSA-N 352.865 5.375 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc23)cc1C 409202927 UIPPJEDKEWKTMY-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB C=CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 6855854 FSGOYTMSOZWMCJ-UHFFFAOYSA-N 356.680 5.501 30 40 FKEB CCCCCCCCCCOc1ccc(NC(=O)N2CCC(C)CC2)cc1 100284903 JOHRRBWBTYFNOD-UHFFFAOYSA-N 374.569 6.470 30 40 FKEB CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 103865528 IPGILLIXXLKGPL-DNTJNYDQSA-N 374.651 5.433 30 40 FKEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1c(C)cccc1C 408914857 YFCDFQUHWVIADO-RVPACPKESA-N 362.498 5.484 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)nc1 409073583 QLBOYFQLEYTDBA-AUEPDCJTSA-N 365.742 5.460 30 40 FKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1[C@@H]1CC=CCC1)CCC2 859213 USOCIZTUSUZDIE-QGZVFWFLSA-N 374.509 5.241 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 5902731 HYHZIGYHPOMTIY-ZDUSSCGKSA-N 372.921 5.676 30 40 FKEB Oc1ccc(/N=C/c2cccc3ccccc23)cc1-c1nc2ccccc2o1 6244074 QWGISOKJZQARAM-MFKUBSTISA-N 364.404 6.104 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 6652761 NYZIZQRZIHRKQC-KOEQRZSOSA-N 373.500 5.582 30 40 FKEB CCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@H]1CCCCCCCCCC(=O)OCC 6756696 PEZIQWVKZYIKRH-UWHLTILDSA-N 368.558 5.566 30 40 FKEB in-vitro O/N=C1\C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1Cc1ccccc1 13301359 ODMJIIJUJAYBCI-WPCOALAPSA-N 356.469 5.151 30 40 FKEB O=C(/C=C\c1ccc(Br)s1)c1ccc(Br)cc1 17314019 DWCAOUVYCSQOSV-ALCCZGGFSA-N 372.081 5.169 30 40 FKEB C(=N/CCc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 100058483 MVIUNXGANNTQFZ-XIEYBQDHSA-N 351.453 5.201 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1csc(N)n1 118917792 LBSHCMQCZQSXKN-CSOYKPOESA-N 370.562 5.341 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)OCCCC)cc1 219809143 XJPNMFVHDUXWST-UHFFFAOYSA-N 369.486 5.174 30 40 FKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(N(C)C)cc3)cc21 223620748 HHKOCIHWMHARHH-CPISYKEBSA-N 369.940 5.879 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)cc1 408966505 OVNGTCWGCOLSEG-CPNJWEJPSA-N 360.438 5.147 30 40 FKEB N#Cc1c(/N=C/c2ccc(Sc3ccccc3)o2)sc2c1CCCC2 409090830 QNPVZCWLMDJGBP-LPYMAVHISA-N 364.495 5.993 30 40 FKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1 3637052 PJDDYUKXZVNMHF-UHFFFAOYSA-N 364.392 5.316 30 40 FKEB Cc1ccc2nc(CSc3nc(-c4ccccc4)ccc3C#N)[nH]c2c1 5409147 RTEALJNYRDAXNB-UHFFFAOYSA-N 356.454 5.097 30 40 FKEB Fc1ccc(-c2n[nH]cc2/C=N\OCc2ccc(Cl)cc2Cl)cc1 5614113 WVDUNXXENISPKH-AFPJDJCSSA-N 364.207 5.073 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC 6959774 OXMIEHNQJLKYFP-WSDLNYQXSA-N 364.272 6.016 30 40 FKEB Brc1cccc(/C=N/c2ccc(NC3CCCCC3)cc2)c1 6998922 BHDNAVYPSKUUFN-KGENOOAVSA-N 357.295 5.944 30 40 FKEB CCCCc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 19820761 HALNFKGRWLWHAO-UHFFFAOYSA-N 374.513 5.823 30 40 FKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 21722398 FJUOMZBLLGHOPS-QHCPKHFHSA-N 374.484 5.158 30 40 FKEB CCCCCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 100814712 NYXILKBJDPCXHS-QZQOTICOSA-N 374.572 7.738 30 40 FKEB O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1cccs1 102502961 BWBNJUDWAJJWLZ-DYTRJAOYSA-N 352.846 5.009 30 40 FKEB CCCCCCCCCCCCCCC/C=C/c1ccc2ccccc2c1 104098055 MPEBPZLRHZEWBN-KNTRCKAVSA-N 364.617 9.334 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCC[N+](C)(C)C 104110050 DAJJORSFPYNZPN-SEYXRHQNSA-O 367.642 5.846 30 40 FKEB CCCCCCCCCn1c(/N=C/c2ccccc2O)nc2ccccc21 2269682 XFSCUOLJALWOQU-HKOYGPOVSA-N 363.505 6.243 30 40 FKEB CCN(CC)c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 4869449 AGWBCQKBQMHKBQ-OEAKJJBVSA-N 352.869 5.180 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OCC 6880719 VICVYSHDFFYJMJ-WSDLNYQXSA-N 366.288 6.240 30 40 FKEB Cc1ccc(C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)NC2=O)cc1Cl 11690448 NMJBUBVSZSKVAZ-GOSISDBHSA-N 372.921 5.234 30 40 FKEB CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O 59215793 ZBKXLLSGEYUWKS-UHFFFAOYSA-N 362.510 6.243 30 40 FKEB COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)c2ccccc12 59433523 ANPUCFICMKHXNY-DEDYPNTBSA-N 374.465 5.048 30 40 FKEB Cn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916112 AZOKMFUETPLROZ-WXVWITRBSA-N 366.549 5.415 30 40 FKEB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 408629205 PSPDHJYLHCYKQZ-AWEZNQCLSA-N 368.502 5.032 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)cc1 408766762 RNOXQEXSDDHMBC-CFRMEGHHSA-N 371.311 6.714 30 40 FKEB CCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 2736419 YRWUZPKQJLHKGC-UHFFFAOYSA-N 358.551 6.506 30 40 FKEB COc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)c(OC)c1 20242149 MZICIMRVHUEZRD-HZHRSRAPSA-N 363.482 5.747 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)cc1 408691576 FVFCMHBOBUTYRT-CCEZHUSRSA-N 362.856 6.124 30 40 FKEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(C)c(Cl)c1 409021048 XHCRCPLJJRFWHU-WSDLNYQXSA-N 359.256 5.852 30 40 FKEB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)Oc2ccc3ccccc3c21 1775964888 KHENTLULGDQJSC-SXGWCWSVSA-N 357.192 5.468 30 40 FKEB CC(C)(C)c1ccccc1OCC(=O)Nc1oc(-c2ccccc2)cc1C#N 948978 COIUNZRXWINBHW-UHFFFAOYSA-N 374.440 5.133 30 40 FKEB N#CCC(CC#N)C(c1cccc2ccccc12)c1cccc2ccccc12 1600045 AONXIOAGUPVPNZ-UHFFFAOYSA-N 360.460 6.568 30 40 FKEB Cc1sc(NC(=O)CCCSc2ccc(Cl)cc2)c(C#N)c1C 10218175 WGNBWPVQHRSDFG-UHFFFAOYSA-N 364.923 5.401 30 40 FKEB CCc1ccc(/C=C/C(=O)c2ccc(NC3=NC[C@H](CC)S3)cc2)cc1 12536799 UNWIYTYDYNCLRV-PCLFDXGNSA-N 364.514 5.438 30 40 FKEB O=C1[C@@H](Cc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 13152454 YRGIXGZBFRNAQP-UXDFZSADSA-N 358.466 5.065 30 40 FKEB COc1ccc(OC)c(/C=C\C(=O)c2ccccc2OCc2ccccc2)c1 33376653 CKXXTJICVZJTJO-OWBHPGMISA-N 374.436 5.179 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 33534459 XTAXZYOCPVOCHK-SRZZPIQSSA-N 367.474 5.270 30 40 FKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Br)cc2)C1 408564260 XNJACTXJZLWJIA-FNDVETGQSA-N 350.300 5.550 30 40 FKEB CCCCc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 408908437 CMGIOOFRWHDHDR-MFKUBSTISA-N 374.484 5.916 30 40 FKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc2ncccc2c1 408968514 ZXHNSVIUHYBICY-LGJNPRDNSA-N 361.395 5.671 30 40 FKEB O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12 409180327 QTESNQTYZMGWLK-ISLYRVAYSA-N 365.432 6.441 30 40 FKEB CCC[C@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 1088029 QNIYKKYOYLLYEY-NSHDSACASA-N 354.397 5.821 30 40 FKEB Cc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1 5543302 WKLHYNSZDVZIKG-BLOQEJBCSA-N 370.477 5.804 30 40 FKEB C/C(=N\Nc1cc(C)c2ccccc2n1)c1ccc(-c2ccccc2)cc1 6330579 KVIZZQOPRXGOAM-NLRVBDNBSA-N 351.453 6.046 30 40 FKEB CCCCCCCCCCCCCCCCSc1nc(CCC)n[nH]1 8443698 PYCBXAVRZXKWOC-UHFFFAOYSA-N 367.647 7.331 30 40 FKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(C(C)C)cc3)c3cc(C)cc1c32 12406398 VPGFZYDJXCRZTG-NJNXFGOHSA-N 358.485 5.781 30 40 FKEB C=CCOc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 13717049 CFQOEYWNBNLANX-UHFFFAOYSA-N 357.453 5.412 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(F)cc3)o2)CC1 27562595 OUCCRQOFAQORKF-ZVHZXABRSA-N 368.456 5.595 30 40 FKEB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(C#N)cc3Cl)ccc2c1 68755661 DICJBPSIPAEVBS-CYBMUJFWSA-N 364.832 5.116 30 40 FKEB CCCCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)CC1 248269045 PLXDLWUVPTUOTH-JKIUYZKVSA-N 373.515 6.951 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)c1C 408913445 UQTYKUZINNFHHR-XKZIYDEJSA-N 362.433 5.065 30 40 FKEB O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 2253679 NKAYBLHJUYBILQ-IBGZPJMESA-N 350.805 5.417 30 40 FKEB CCCCCCCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 3635749 COMFADUOULLRIH-UHFFFAOYSA-N 374.484 5.132 30 40 FKEB Cc1cccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 4292783 KJIATDAZVOPESK-KQWNVCNZSA-N 352.850 5.112 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 6880675 VHTAPQYRAWIJIN-SRZZPIQSSA-N 352.261 5.850 30 40 FKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1 6908818 AJUAYHUZWKKGOC-NRFANRHFSA-N 357.457 5.003 30 40 FKEB Clc1ccccc1CN/N=C/c1ccc(OCc2ccccc2)cc1 8811315 UGWXPAUZLGZTJB-OEAKJJBVSA-N 350.849 5.043 30 40 FKEB Cc1ccc(O)c(-c2cc(-c3ccccc3)nc(/N=C\c3ccccc3)n2)c1 17261205 URHOGTCCBLCWCS-XYGWBWBKSA-N 365.436 5.575 30 40 FKEB CCCCCCCCCCC[C@H](O)C[C@@H]1OC(=O)[C@@H]1CCCCCC 97978731 RSOUWOFYULUWNE-HBMCJLEFSA-N 354.575 6.170 30 40 FKEB in-vitro CCCCCCCCCC[C@@H](CCCCCCC#N)c1ccc(C)cc1 104053528 LUPARFXPTBEUGQ-DEOSSOPVSA-N 355.610 8.474 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 408790016 QBSBUWYKRRQMNT-WSDLNYQXSA-N 351.381 5.200 30 40 FKEB Cc1ccc(C)c(/N=C\c2cc(Br)c(Br)o2)c1 408950040 DFHLLYPOGNSEBR-APSNUPSMSA-N 357.045 5.172 30 40 FKEB Cc1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1F 409091386 QCLZGUKWEDWXCC-VULFUBBASA-N 363.476 6.058 30 40 FKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@H](C)c1ccccc1 704838 GKDSBLSSIPWWIP-MRXNPFEDSA-N 354.457 5.403 30 40 FKEB O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 1041311 WICUZGOACNWMGW-BQYQJAHWSA-N 366.294 6.092 30 40 FKEB CCCCCCCCCCC(=O)Oc1cc(C)c(Cl)cc1C(C)C 2061800 GREXGXLRJOAENU-UHFFFAOYSA-N 352.946 7.208 30 40 FKEB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1N=C1CCCCCC1 4182327 XDLSZDRHOMMHOA-FQEVSTJZSA-N 367.880 5.617 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5216992 UPBFEDGVZCLHBT-NVMNQCDNSA-N 371.230 5.020 30 40 FKEB C/C(=C/C(=N/Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 5411714 OXSZEXILERCPLU-XFMKRHTLSA-N 369.493 6.216 30 40 FKEB C=CC(=O)N(c1ccccc1)[C@@H](C#N)c1ccccc1OCc1ccccc1 16848740 ODUZVYKWMHKIIB-QFIPXVFZSA-N 368.436 5.049 30 40 FKEB CCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1OCC 30735284 JKHFSMUJHPZFNV-STZFKDTASA-N 369.490 5.320 30 40 FKEB CC(=O)/C(C(=O)Nc1cccc2ccccc12)=C(/C)Nc1c(C)cccc1C 101400265 YYQHFJCESYSBMT-OQKWZONESA-N 372.468 5.370 30 40 FKEB FC(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531431 YJSIBKOUPOTQEG-OWOJBTEDSA-N 364.076 5.208 30 40 FKEB C=C(C)[C@@]1(C)C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104370312 KDGAGONWGJXDDT-OPRDCNLKSA-N 354.919 5.804 30 40 FKEB COc1ccc(/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cn1 223556143 OTIKCIJVFWBTGU-YOBACFSGSA-N 351.494 5.341 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(OCC)cc2)S/C1=N\c1ccccc1 408906690 JQIJGGIKGNYDPU-VYADPRQXSA-N 366.486 5.099 30 40 FKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(N=Nc2ccc(C)cc2)cc1 409345481 JBZAGXGOXWQAHS-PEJXKHDASA-N 359.429 6.510 30 40 FKEB CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 659347 XOUXEPKPLPTARP-VWLOTQADSA-N 368.480 6.032 30 40 FKEB N#CC(Cc1ccccc1Cl)(Cc1ccccc1Cl)c1ccccc1 1578998 KKAWXUZNDPKDRT-UHFFFAOYSA-N 366.291 6.240 30 40 FKEB COc1ccc([C@@H](C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1731817 RZCQICLSLHHLOK-DHIUTWEWSA-N 355.437 5.359 30 40 FKEB C=CCc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)c(OC)c1 3209149 BLUWGUCSSMRMSS-UHFFFAOYSA-N 368.436 5.826 30 40 FKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1 6961530 KMWUUVPHBWMAHI-PCLIKHOPSA-N 359.469 6.032 30 40 FKEB CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1 8214607 DYKFIFLJEJVONL-UHFFFAOYSA-O 361.594 5.300 30 40 FKEB in-man Clc1ccc(-c2cc([C@@H]3CO3)c3cc(Cl)cc(Cl)c3n2)cc1 8627571 BBQFQYGDKSIZFJ-INIZCTEOSA-N 350.632 5.933 30 40 FKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 8811668 PSHMDUFBNVNFKD-ZMOGYAJESA-N 355.844 5.010 30 40 FKEB O=C1C2=C(N=C3CCCC(O)=C3[C@@H]2c2cccc(Cl)c2)c2ccccc21 9015127 FVDFWXGABANNLT-SFHVURJKSA-N 361.828 5.482 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)cc(C)cc1C 16711485 AEOVWQPGBUCYTK-LNVKXUELSA-N 368.933 6.214 30 40 FKEB Fc1ccc(/C(=N/Nc2ncc(C(F)(F)F)cc2Cl)C2CC2)cc1 95349530 DPMBZNJRTURLER-OEAKJJBVSA-N 357.738 5.119 30 40 FKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Cl 408908149 BDQRPENIGNYUGG-SSDVNMTOSA-N 352.821 5.227 30 40 FKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCCC 409074517 MMWAVHFGRHRJPM-PXLXIMEGSA-N 368.433 5.261 30 40 FKEB Oc1cc2ccccc2cc1/C=N/N=C/c1c2ccccc2cc2ccccc12 2272362 VSRGBUCEZIIUEK-ODBZBXGJSA-N 374.443 6.305 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)ccc1O 3033557 MUKRJOZZCFQHCD-CIAFOILYSA-N 368.230 5.278 30 40 FKEB N#C[C@H](C(=O)C1c2ccccc2-c2ccccc21)c1nc2ccccc2s1 3307898 LGUVEVSMSHTXPM-GOSISDBHSA-N 366.445 5.285 30 40 FKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)CCCC(C)C)[C@H]3C[C@H]12 4043768 RINUGOBJPTXRGQ-CFPLAWGXSA-N 361.570 5.105 30 40 FKEB biogenic C=CCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 4816218 TYZSMMIJLCXKEQ-QFIPXVFZSA-N 366.530 5.109 30 40 FKEB O=C1/C(=C/c2ccco2)Oc2cc(OCc3ccccc3Cl)ccc21 5179622 MMZODEDCKSQBCD-ODLFYWEKSA-N 352.773 5.128 30 40 FKEB C/C(=N\Nc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 5417296 NVTYHTASCQJOCO-KEBDBYFISA-N 357.173 5.304 30 40 FKEB O=C1C=CC(=CC=C2C=CN(CCCCCCCCCCCO)C=C2)C=C1 5566499 SREHXMGDCRCPHL-UHFFFAOYSA-N 367.533 5.381 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 8371922 HFAKSCAQRPSHFD-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB Cc1cc([C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)nc(C)n1 41562224 UXUVFYCENGTHDR-ZDUSSCGKSA-N 363.467 5.013 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCC#N 100925710 IIRYFQZVNAGCAC-UHFFFAOYSA-N 367.642 6.474 30 40 FKEB Cc1ccc(/N=C2\SCCCN2C(=O)c2sccc2C)cc1Cl 104995520 VVZHYOVRDQROOH-ZPHPHTNESA-N 364.923 5.285 30 40 FKEB Cc1ccc2[nH]c(S/C=C/C(=O)c3cccc(Br)c3)nc2c1 1041329 JMCWTSTURBKWCR-BQYQJAHWSA-N 373.275 5.123 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 1435008 QOUTULSUUKSZAY-OEAKJJBVSA-N 356.381 5.032 30 40 FKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 1692755 JSULNRYOPRWGFZ-LKUDQCMESA-N 351.534 7.129 30 40 FKEB CN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@@H]1C#Cc1ccccc1 4043704 DGCHUPNBTKIVDY-MHZLTWQESA-N 372.471 5.646 30 40 FKEB N#Cc1ccsc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 4330557 IDJIQKJONZPPBH-UHFFFAOYSA-N 361.451 5.149 30 40 FKEB CCCCN(CCCC)/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1 4792039 GQTCYGFHXNRVHP-QOCHGBHMSA-N 363.501 5.538 30 40 FKEB CCCC/N=C1\S/C(=C\c2cn(C)c3ccccc23)C(=O)N1CCCC 6569719 ADFYNYPGFZOQDJ-IECUCWQJSA-N 369.534 5.051 30 40 FKEB Clc1ccc(CN/N=C/c2ccccc2OCc2ccccc2)cc1 10118681 CBGRPVOQGVURHX-BUVRLJJBSA-N 350.849 5.043 30 40 FKEB CCCCCCCCCCC[C@@H]1C[C@H](O)[C@H](CCCCCC)C(=O)O1 80483530 LRXRIVSWHMVULO-HKBOAZHASA-N 354.575 6.170 30 40 FKEB CCN1/C(=C2/SC(=S)[C@@H](c3ccccc3)C2=O)Sc2ccccc21 102131253 RGDITFBWNHNVOR-DVEDPGPFSA-N 369.536 5.215 30 40 FKEB N#CCCSc1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1 108352875 PGPHCYYZNCVKFR-UHFFFAOYSA-N 369.877 5.613 30 40 FKEB C=CC[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118926482 ORIMLGKYXLWGDN-VKACWFGYSA-N 356.550 6.073 30 40 FKEB C=CCOc1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225868480 MXGISMIYVNKHAT-UHFFFAOYSA-N 366.530 5.316 30 40 FKEB CCCCCCCCCNc1c2c(nc3ccccc13)CC(C)(C)CC2=O 2288980 UPWZVOXVPVTOFU-UHFFFAOYSA-N 366.549 6.552 30 40 FKEB C(=N/Nc1nc2ccccc2[nH]1)\c1c(-c2ccccc2)[nH]c2ccccc12 5695938 IXTQUZYLLPJUAA-OEAKJJBVSA-N 351.413 5.157 30 40 FKEB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13547274 WCFIGQHNBJXROP-IHMUCKAYSA-N 372.549 5.635 30 40 FKEB biogenic O=C1C[C@@H](c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 17043563 JTKFAXGRIUMTPQ-LPNGOHTBSA-N 358.466 5.586 30 40 FKEB N#CC1(c2ccccc2)[C@H](c2ccccc2)CC(=O)C[C@@H]1c1ccccc1 17310905 HUFNWVLCSKBRCC-XMGLRAKGSA-N 351.449 5.378 30 40 FKEB CCCCCCCCCCCCCCCCC(Cl)(Cl)C(=O)O 95731156 GKGVPDQNHDBNDR-UHFFFAOYSA-N 353.374 7.116 30 40 FKEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@H]3CC[C@@]21C 96102416 BKNXOKQXQDHUJC-ZUYVPRDGSA-N 368.517 5.025 30 40 FKEB in-vitro Cc1cc(/C=N/c2sc3ccccc3c2C#N)c(C)n1-c1ccccc1 408738048 MNFHVXRSVVIZPH-ZVHZXABRSA-N 355.466 5.931 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1CC 408907945 CQWDBJSBQOWDCX-PVTBXJRFSA-N 370.905 5.526 30 40 FKEB Fc1cccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)c1 409209568 HAWFIFPVZPIEFQ-WGOQTCKBSA-N 355.412 6.309 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)cc1OC 409383681 ZPRIAXRAQLSGFO-ZOCVZFIWSA-N 370.251 6.069 30 40 FKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccccc1)CCCC3 2278626 NLGKRYNUCOEXPP-SRZZPIQSSA-N 370.246 5.530 30 40 FKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1cccc(Cl)c1 3051038 FEIIPJYHUIFCEI-UHFFFAOYSA-N 357.265 6.078 30 40 FKEB C=CCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N 3637063 VLWYSCZAYYUADT-UHFFFAOYSA-N 354.784 5.571 30 40 FKEB C=C(C)Cn1c([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033412 ZLMCNHJGTDJAKL-IBGZPJMESA-N 373.500 5.058 30 40 FKEB O=C(/C(=C\Nc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1 4235470 HBFNBPHBMQAPKU-HKWRFOASSA-N 367.370 6.041 30 40 FKEB CCc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 8085114 ATTQWDMOEDLWNL-OVVQPSECSA-N 365.476 6.732 30 40 FKEB O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 16493356 DRUKVTMVAFEBFE-KHPPLWFESA-N 357.887 5.952 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cc(Cl)ccc2OC)c1C 408967880 SMCQWLDSGHJDDN-ZVHZXABRSA-N 366.892 6.069 30 40 FKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 409107284 QOGDTLDBYDICRQ-FOCLMDBBSA-N 359.425 5.604 30 40 FKEB CC(C)(C)c1cc(/C=N/c2nc3ccccc3s2)c(O)c(C(C)(C)C)c1 2157792 PPGVFYDSILRJGW-YDZHTSKRSA-N 366.530 6.348 30 40 FKEB Cc1ccc(/N=C/c2ccc3c(c2)Sc2ccccc2N3C)cc1Cl 3216636 LZEPSSIAUROHMK-YDZHTSKRSA-N 364.901 6.632 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)cc1C(=O)O 4739268 LUKFPMURQFCWPX-LSHDLFTRSA-N 357.768 5.496 30 40 FKEB CCCCCCCC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1 8383698 SPJBPJFXAMCWTN-UHFFFAOYSA-N 366.567 5.867 30 40 FKEB CC(=O)c1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N 9126062 FFKDAOWKLAWGBK-UHFFFAOYSA-N 372.449 5.164 30 40 FKEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 32615589 AEFRWSZOBCHMHU-QFIPXVFZSA-N 372.493 5.050 30 40 FKEB O=C(O)COc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1Cl 59248636 LBAMGCAACHQRGY-YDZHTSKRSA-N 371.864 5.602 30 40 FKEB C=CCc1cc(/C=N/c2ccc(Br)cc2)cc(OCC)c1O 59249187 UBXJZGBFSRKUIP-UDWIEESQSA-N 360.251 5.033 30 40 FKEB CCOc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 409215174 XWXSDFHJJYQEDE-IWIPYMOSSA-N 365.860 6.068 30 40 FKEB C[C@H]1CCc2c(sc(/N=C/c3ccc(Br)s3)c2C#N)C1 1057985 VCJMPQVPDHJFON-ZBPACCJBSA-N 365.321 5.319 30 40 FKEB CCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 2234190 RXYBXXGAKBMKBZ-UHFFFAOYSA-N 366.918 5.739 30 40 FKEB COc1ccc([C@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 12630783 LFRZMITTYZYKCR-RPWUZVMVSA-N 367.452 5.111 30 40 FKEB Cc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)c(C)c1 55135328 RGBVYZRSOMQWST-OUKQBFOZSA-N 357.497 5.496 30 40 FKEB O=C(/C=C/c1csc(-c2ccco2)n1)c1ccc(OC(F)(F)F)cc1 58381808 QSOJRNZDHZHIJA-VMPITWQZSA-N 365.332 5.198 30 40 FKEB CCCCCCCCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O 104106097 KWYKKJVSZLAGES-UHFFFAOYSA-N 371.521 5.736 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3C)c2C)cc1 408740618 COIIZFKOMGKREA-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)cc1 408767296 ZAQKREAIAXCGFU-CFRMEGHHSA-N 371.311 6.714 30 40 FKEB C=CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@@H](C)CC)C1=O 409010036 AZZCBFGWWUQMEY-ITRAFESCSA-N 367.470 5.239 30 40 FKEB Cc1cccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 1435345 ODFWDLJVHRFRJL-UFWORHAWSA-N 352.659 5.484 30 40 FKEB O=C(O)c1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 3174366 YPUQJJGGABTWJG-LPYMAVHISA-N 373.437 5.050 30 40 FKEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1 4710519 UYSVPNUYLGRLHO-NRFANRHFSA-N 372.493 5.521 30 40 FKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(C)ccc3C)c12 8231547 YKGNMBWRWKMZTE-OUKQBFOZSA-N 369.468 5.296 30 40 FKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1 33677881 FPXHIXKKYDTUAR-NCELDCMTSA-N 360.486 5.384 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(N(CC)CC)cc2C)cc1 51318797 YWPUDAGCNUUMOH-CCEZHUSRSA-N 352.478 5.048 30 40 FKEB Fc1cccc(Cl)c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 100384124 KSLRQYVUWAISSS-FSJBWODESA-N 350.780 6.038 30 40 FKEB Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N2CCCCC2)cc1 104332995 KBCGGHIOJYZTHJ-CYYJNZCTSA-N 368.524 6.343 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(OCC)c3)c2C)cc1 409183778 GEOVKITWHZUOSX-JLPGSUDCSA-N 362.473 5.642 30 40 FKEB O=C1/C(=C\c2c[nH]c3ccccc23)CCC/C1=C/c1c[nH]c2ccccc12 843671 RLLCDKHIGZPCSC-MCOFMCJXSA-N 352.437 5.869 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4c[nH]c5ccccc45)cc3)sc2c1 1085377 HWRSQSBIJIBOLZ-ZMOGYAJESA-N 367.477 6.504 30 40 FKEB Cc1nc([C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1 1569557 NIYPNKHDGWDAOX-WAUHAFJUSA-N 369.574 6.067 30 40 FKEB C=C1C(Cl)=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(F)cc1 2454470 HBODRMGTZBCBJR-LJQANCHMSA-N 368.860 6.575 30 40 FKEB O=C(/C=C/c1cccs1)c1ccc(NC(=O)c2ccccc2F)cc1 4852251 JBQQXEVNUURFDX-VAWYXSNFSA-N 351.402 5.036 30 40 FKEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 6566364 SXKBTHFWBCTFDX-JJIBRWJFSA-N 366.877 5.366 30 40 FKEB CCOc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O 6790911 NDRQQDBUVCLRCS-OEAKJJBVSA-N 374.465 5.818 30 40 FKEB CC[C@@H]1CS/C(=N\c2ccc(C)cc2C)N1CC(=O)c1ccc(C)cc1 21541292 XDNDHKWIWKTDFZ-VLZBMTSBSA-N 366.530 5.310 30 40 FKEB CC(C)=NNc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 72229738 WYCTXVAYKREAOX-UHFFFAOYSA-N 358.854 5.010 30 40 FKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)c1 408760772 FUJWTQQKVQBJRP-XYGWBWBKSA-N 374.484 5.584 30 40 FKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408966663 MWVOXZJDQVVHRO-QQXSKIMKSA-N 358.529 6.759 30 40 FKEB Cc1ccc(/N=C/C=C(/Nc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 1833489 NODHSDWJDFOAHP-DFEHQXHXSA-N 371.440 6.067 30 40 FKEB COc1ccc(Br)cc1/C=N/c1ccc(-c2ccccc2)cc1 3090458 HHTMKVVJEPNXTQ-HYARGMPZSA-N 366.258 5.875 30 40 FKEB N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Oc2ccccc2)cc1 100914378 HSWHNNKKSISUHH-YZSQISJMSA-N 364.404 6.361 30 40 FKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 408738146 QMRRBXZLZYAXJD-FYJGNVAPSA-N 368.278 5.303 30 40 FKEB CC(C)(C)c1ccc(/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 3190405 KMWUSOGABQGKHZ-WNAAXNPUSA-N 368.480 5.652 30 40 FKEB Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 4193888 QYBWEQCDANOCJZ-FQEVSTJZSA-N 363.501 5.809 30 40 FKEB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccco3)cc2)cc1 4832655 ZEIWLYLHTRGCDH-CCEZHUSRSA-N 373.452 5.726 30 40 FKEB CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(C)cc2)n1 5509620 FJDHGJPRAMAMMP-UHFFFAOYSA-N 360.486 5.406 30 40 FKEB C=CCOC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635319 OLYGAYPXCPUDFD-UHFFFAOYSA-N 364.253 5.613 30 40 FKEB CCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1 103642621 GLOQRSIADGSLRX-UHFFFAOYSA-N 374.461 7.529 30 40 FKEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 103852260 UCDFVJIWJUKOQD-ZBKNUEDVSA-N 374.651 5.433 30 40 FKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccccc1 408776520 PJLVKVFIHDGNPI-BKUYFWCQSA-N 353.263 5.607 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)cc(C)c3)c2C)cc1 843437 CWLWORTWVFZGPT-MFKUBSTISA-N 374.484 5.638 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])o4)cc3)sc2c1 1059063 LOJOCPRTGJWRQT-RGVLZGJSSA-N 363.398 5.524 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2256367 VCPKCAIDKPMHCH-UHFFFAOYSA-N 355.532 5.520 30 40 FKEB O=C(/C=C\c1cc(O)ccc1Br)c1ccc(Cl)cc1Cl 4657465 CBTIWLQKTSAFRJ-BHQIHCQQSA-N 372.045 5.358 30 40 FKEB Cc1cc2c(cc1C)N[C@@H](/C=C/c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 6275844 HVQGBYNCLDGQBV-VYENPZKTSA-N 372.512 5.866 30 40 FKEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756134 NOXKIOZCMRNMPE-UHFFFAOYSA-N 362.473 5.186 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccccc1 408910764 KRZPHQZIXXUGMZ-OCIPIQTLSA-N 364.514 5.824 30 40 FKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408967519 TUPXXGOKSWXIHZ-YSMPRRRNSA-N 353.469 6.010 30 40 FKEB Oc1c(/C=C/C=C/C=N/c2ccccc2)sc(=S)n1-c1ccccc1 2072468 YXUITIYJBAOHJB-AOXNRIPZSA-N 364.495 5.946 30 40 FKEB CC(C)CC[C@]1(CC/N=C/c2ccc(N(C)C)cc2)CCO[C@@H](C(C)C)C1 4000016 XFEGJCRHNUKDAC-XKZRNDKXSA-N 372.597 5.819 30 40 FKEB biogenic Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3)cc1)N2 4181637 QLXPYLKCHCENEO-PVRSRAJDSA-N 364.492 6.572 30 40 FKEB O=C(/C=C/c1ccccc1)c1cc2c(cc1O)O[C@H](c1ccccc1)CC2 4669043 PQJJUGDLEZTYRQ-BWSGXRDBSA-N 356.421 5.355 30 40 FKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1O 4673117 KSJYRSWMWCDNTO-KEBDBYFISA-N 373.865 5.014 30 40 FKEB CCCC/N=C1\S/C(=C/c2cccc3ccccc23)C(=O)N1CCCC 5552259 QNRFREYFAHSLQZ-SUJVXMJXSA-N 366.530 5.712 30 40 FKEB COc1ccc(/N=C(\c2ccc(C)cc2)N(C(C)=O)c2ccc(C)cc2)cc1 5698402 QQSHPYDGIJBLLX-OCOZRVBESA-N 372.468 5.443 30 40 FKEB CSc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 14671947 HFOYFHRPXLIMJK-HXUWFJFHSA-N 353.512 5.675 30 40 FKEB CC(C)(C)/N=C1/CC(C)(C)c2ccccc2/C(=N\c2ccccc2)S1 17213909 RSNMJUIJZLBDNQ-SKZWKZHWSA-N 350.531 6.376 30 40 FKEB O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1)c1cc2ccccc2o1 102417259 CEMGCKIATPNIOO-ZVHZXABRSA-N 374.827 6.089 30 40 FKEB COc1cccc2c(/C=N/c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)[nH]c12 408825660 FHVPKMIPVMMXGX-OEAKJJBVSA-N 371.396 5.502 30 40 FKEB Clc1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 408849493 WDKZGYRVWWBZMN-UDWIEESQSA-N 359.654 5.644 30 40 FKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1C 409116177 UISHQESLBRECQG-UHFFFAOYSA-N 356.680 6.132 30 40 FKEB S=c1sc2ccccc2n1/C(=N/Nc1ccccc1)c1ccccc1 4499119 ICLADYWKYSMLMP-ZBJSNUHESA-N 361.495 5.754 30 40 FKEB N#CC1(c2ccccc2)CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 5682047 UIPPKLGDNOSKCO-UHFFFAOYSA-N 374.271 5.083 30 40 FKEB COc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 8116671 IYVWSVDRIIIBQZ-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB COc1ccc([C@@H]2C=C(c3ccccc3)S[C@]3(S)CCCC[C@@H]23)cc1 16121773 XBNFAXGTIQLGTL-JAXLGGSGSA-N 368.567 6.383 30 40 FKEB O=C1C[C@H](c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 17043568 JTKFAXGRIUMTPQ-UXDFZSADSA-N 358.466 5.586 30 40 FKEB O=C1C(=C2CCCCC2)CCC[C@H]1C[C@H]1CCCC(=C2CCCCC2)C1=O 18323127 BXVNLOQSERTELE-OYRHEFFESA-N 368.561 6.636 30 40 FKEB biogenic CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C 89914083 WDCCUYLBKYBQEA-SCRDCRAPSA-N 370.802 5.168 30 40 FKEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223020815 CNLHAYSXDRQKBT-IBGZPJMESA-N 359.853 5.009 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(C(C)=O)cc3)c2c1 408789596 MQFPVBIDIMLOOZ-MYYYXRDXSA-N 368.436 5.797 30 40 FKEB N#Cc1cccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1 1083811845 XZLARPWVFCLEEI-UHFFFAOYSA-N 365.195 5.000 30 40 FKEB Cc1cc(-c2ccc(/N=C/c3ccco3)c(C)c2)ccc1/N=C/c1ccco1 711007 VFCCDPSXYIUNNR-RYQLWAFASA-N 368.436 6.658 30 40 FKEB O=C(Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccco1 1512342 HWDAKOSVDJWDRM-OEAKJJBVSA-N 356.381 5.141 30 40 FKEB Fc1ccc(/C=N/c2ccc(/N=C/c3ccc(F)cc3F)cc2)c(F)c1 3242655 BUZZSRWQRROFFJ-KOZSXFMUSA-N 356.322 5.744 30 40 FKEB Cc1cc2nc(-c3cccc(/N=C/c4cccc(C)c4O)c3)oc2cc1C 4679036 GYKHFTDDTSWQRE-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB CCCc1cc(Nc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N 5454057 HNGCZIGPQLOODM-UHFFFAOYSA-N 360.848 5.709 30 40 FKEB CCCCC[C@H](F)/C=C/[C@H]1CC/C(=N\O)[C@@H]1CCCCCCC(=O)O 12659452 LQQORSBLZLAVKX-MRLPVQEDSA-N 355.494 5.743 30 40 FKEB biogenic C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(Cl)cc1 13301043 LLMZALSRBZIVTI-VZCXRCSSSA-N 356.878 5.297 30 40 FKEB N#CC1(C#N)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 19923668 WHKQZNQVYSYXJO-CCDWMCETSA-N 373.459 5.381 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1C 408591173 IUOFPRIOQXZAMS-AFUMVMLFSA-N 357.457 5.133 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc3ncccc3c2)c1C 408858222 QUXYTWXDACUJBK-JVWAILMASA-N 367.496 6.264 30 40 FKEB Cc1oc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(C#N)c1C 408919204 UUJPFNRGWCCKEW-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1ccc(-c2cccc(F)c2)o1 409012412 JVRUTOSOGRLGJJ-NHDPSOOVSA-N 358.210 5.907 30 40 FKEB Cc1ccc(-n2cccc2/C=N/c2ccc(C(=O)O)cc2C)cc1Cl 409018492 HNSQPSXJMGZRKG-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB Cc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1 409107439 PTQOCTDBCPZKOF-XIEYBQDHSA-N 372.468 5.375 30 40 FKEB C#CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1Cl 409115213 JLESEBBPPSXHCI-UHFFFAOYSA-N 354.664 5.579 30 40 FKEB C=CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1Cl 409134405 PEBOYAUINXWQIW-UHFFFAOYSA-N 356.680 6.132 30 40 FKEB O=[N+]([O-])c1ccc(Oc2ccccc2/C=N/c2ccccc2)c([N+](=O)[O-])c1 409212461 QGYZSHFSULZKBJ-DEDYPNTBSA-N 363.329 5.046 30 40 FKEB C=CCc1c(C)nc2ccc(Br)cc2c1Oc1ccccc1 853003 SSLCAALVDSEGAV-UHFFFAOYSA-N 354.247 5.827 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1013640 LRAHYQOMGWOCGC-LPYMAVHISA-N 367.290 5.916 30 40 FKEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@H](C(C)(C)C)C3 2272623 CQTMIPWUPCLWOH-ZDUSSCGKSA-N 374.575 5.073 30 40 FKEB N#C[C@H]1CCCC[C@H]1[C@@]1(C#N)CCCC[C@H]1Cc1nccc2ccccc12 5373789 XJWAPHCGDAHZIG-DAVFGYKESA-N 357.501 5.807 30 40 FKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2)c(C)n1CC(F)(F)F 5578303 FVXXSMQGSWXBIX-LIMNOBDPSA-N 363.305 5.132 30 40 FKEB c1ccc(C(SN=C2CCCCC2)(c2ccccc2)c2ccccc2)cc1 5662768 QPUNHYMTVOZDFO-UHFFFAOYSA-N 371.549 7.032 30 40 FKEB O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1cccs1 13777449 GWOFRLPUZYKVAI-PZLZUMHWSA-N 374.417 5.140 30 40 FKEB COc1ccc([C@@H]2C=C(c3ccccc3)S[C@@]3(S)CCCC[C@@H]23)cc1 16121767 XBNFAXGTIQLGTL-ONTIZHBOSA-N 368.567 6.383 30 40 FKEB OC1=N/C(=N/c2cccc(Cl)c2)S/C1=C/c1c[nH]c2ccccc12 18153552 QEOGBELTJNDPCD-LZYBPNLTSA-N 353.834 5.553 30 40 FKEB CCCCCCCCCCCCCCCCCC[Si](C)(C)N(C)C 169747572 OTQULIMMCKHODY-UHFFFAOYSA-N 355.727 8.015 30 40 FKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc(Cl)cc2)cc1 408960096 JJZHLQUTYWGRQL-QRVIBDJDSA-N 365.816 5.368 30 40 FKEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 409220035 XPDKBGXWJPSNBB-LPYMAVHISA-N 366.804 5.578 30 40 FKEB N#Cc1nc([C@H]2C[C@H]2c2cccc(F)c2)oc1NCc1ccccc1Cl 1775977534 ZKKBEFMVPQBRNJ-HOTGVXAUSA-N 367.811 5.222 30 40 FKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1CCC2 1424131 NXNABDJAJLZKOM-FBCYGCLPSA-N 366.229 5.074 30 40 FKEB Clc1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 2896572 NQOHDOHWSPMJNJ-LPFIIVPBSA-N 358.828 6.564 30 40 FKEB O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1 4181469 KBJQPYODAQAUCX-PCLIKHOPSA-N 366.420 5.548 30 40 FKEB O=C1C=C(Nc2ccc(Nc3ccccc3)cc2)C[C@@H](c2ccccc2)C1 5224609 UTIXZPAAJAWILV-LJQANCHMSA-N 354.453 5.873 30 40 FKEB Clc1ccccc1/C=N/Nc1nc(-c2ccc3ccccc3c2)cs1 5234214 IJWWOEHBCMCCRB-WSDLNYQXSA-N 363.873 6.063 30 40 FKEB Cc1ccc(Oc2ccc(/C=N/OC(=O)c3ccc(Cl)cc3)cn2)cc1 5415565 DUMQVNGBCBOBDK-YDZHTSKRSA-N 366.804 5.027 30 40 FKEB C/C(=N\NC(=S)Nc1cc(C)ccc1C)c1cccc(C(F)(F)F)c1 7989380 ZUYJRBMQYCFGBP-YDZHTSKRSA-N 365.424 5.033 30 40 FKEB C=CCn1c(SCc2cccc(C)c2)nnc1[C@@H](C)Oc1ccccc1 13850294 KVGNDIWYRVMBLE-QGZVFWFLSA-N 365.502 5.205 30 40 FKEB N#Cc1c(-c2c(Cl)cccc2Cl)cc(-c2ccc(Cl)cc2)nc1N 20389366 YRAZMKCQAIHOBV-UHFFFAOYSA-N 374.658 5.830 30 40 FKEB CC[C@H](C)Nc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N 33027004 PLQXEZLPDCVUTI-HNNXBMFYSA-N 365.433 5.213 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OC)c(Cl)c2)cc1 44843267 BETSQYGHXWFHGG-VAWYXSNFSA-N 359.853 5.336 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCC 82023810 YEUKJHYLBPPSQJ-SEYXRHQNSA-N 352.603 7.757 30 40 FKEB OC1=NC(=N\c2cccc(Cl)c2)/C(=C\c2ccc3nccnc3c2)S1 95473250 ZXOXHYXYUYWWKL-CXUHLZMHSA-N 366.833 5.015 30 40 FKEB CCCCCCCN(CCCCCCC)CC(=O)NC(=O)c1ccccc1 104047294 ZHKZJDHDFDFQBP-UHFFFAOYSA-N 374.569 5.186 30 40 FKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 225676211 RRYSENPBJWSRQF-QGZVFWFLSA-N 362.473 5.186 30 40 FKEB O=[N+]([O-])c1cc(Cl)c(O)c(/N=C/c2sc3ccccc3c2Cl)c1 1195280 LMVXPWUPNGWNBH-CNHKJKLMSA-N 367.213 5.573 30 40 FKEB Cc1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)o1 1762792 VRPLUERVURYLLD-UHFFFAOYSA-N 356.535 6.353 30 40 FKEB CC(=O)Nc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 5726247 FMVOKKMDWHZJHM-UFWORHAWSA-N 356.640 5.051 30 40 FKEB C(=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1ccncc1 5775588 WCUXTYHADCPBIO-HZHRSRAPSA-N 356.454 5.318 30 40 FKEB CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(C)c(C)c1 5952274 QJNRQFLWMIYRQZ-LPYMAVHISA-N 350.491 5.220 30 40 FKEB COc1cccc(NC(=S)NN=C2CCCCCCCCCCC2)c1 6398637 UPPGFTKEKVYCDG-UHFFFAOYSA-N 361.555 5.642 30 40 FKEB Oc1c(/C=N\c2ccc(/N=N\c3ccccc3)cc2)ccc2ccccc12 100248466 IFTWYXOICQEYGR-BASPJLQGSA-N 351.409 6.711 30 40 FKEB Clc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 408722535 JVEUOVPBCKSZIG-BUVRLJJBSA-N 374.896 6.881 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2C)cc1 408911920 OYYFGBZLJZYONR-WPKWFYOXSA-N 360.841 5.021 30 40 FKEB N#Cc1c(/N=C/c2ccccc2[N+](=O)[O-])oc(-c2ccco2)c1-c1ccco1 409384585 CXAXFQKOHYCLEZ-WSDLNYQXSA-N 373.324 5.330 30 40 FKEB Cc1cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(O)c([N+](=O)[O-])c1 3184642 YBUAYNJWXYVKAS-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB O=C1/C(=C/c2ccccc2)CC[C@@H]1C[C@H]1CCC[C@H](C2=CCCCC2)C1=O 4026250 HWZZEAVSPCVWGA-QTWUXQCNSA-N 362.513 5.925 30 40 FKEB biogenic Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 4158528 QWEMVGXVVKKFHH-JXMROGBWSA-N 357.236 6.458 30 40 FKEB C=CC[C@H](OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)c1cccc(OC)c1OC 4682994 SPJSDMUVWYYMBN-ZIFCJYIRSA-N 358.478 5.103 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 4889329 OBGNSRJIGXKFQE-UHFFFAOYSA-N 369.559 5.739 30 40 FKEB C/C(=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C)cc1 5745313 VZSZXBOTYKYNOT-SRZZPIQSSA-N 365.216 5.109 30 40 FKEB S=C1N/C(=N\c2ccccc2Cl)C2(CCCCC2)N1c1ccccc1 16121752 YPLFLGFKVMZGEQ-UHFFFAOYSA-N 369.921 5.468 30 40 FKEB Cc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1-c1ccccc1 34954189 BZMDNQVTUFHJIZ-UHFFFAOYSA-N 354.240 5.485 30 40 FKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59463563 PWULENVICSRWHH-LFVJCYFKSA-N 370.477 6.236 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116782 FLDZPXSOSKVZJA-CIAFOILYSA-N 353.809 5.406 30 40 FKEB Cc1ccc(/N=C(/C=C\Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 100661901 QDHYADLDOWEAFU-ZBUHDKIXSA-N 360.888 6.703 30 40 FKEB O=[N+]([O-])c1ccccc1/N=N\C(Cc1ccccc1)=N\Nc1ccccc1 104138961 ANLKBRPGHYSLRU-FOFZDOKDSA-N 359.389 5.347 30 40 FKEB CCN1c2cc(C)c(C=C3C(=O)c4ccccc4C3=O)cc2C(C)=CC1(C)C 113820970 QBASWEZDZPBWJF-UHFFFAOYSA-N 371.480 5.479 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OCC 408603100 ATGSPPLEICDGRF-UHFFFAOYSA-N 368.235 5.155 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1C 409215823 FPCHDRDHCJVTPE-PKAZHMFMSA-N 365.476 6.786 30 40 FKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3Cl)o2)sc2c1CCC2 714747 RZKVJOOKVABGDB-SSDVNMTOSA-N 352.846 5.772 30 40 FKEB Cc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)s1 1106681 QYNQHAOCIKYDLL-UHFFFAOYSA-N 370.514 5.457 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 7071607 ZEUSGKGIQAMKES-GZPJKGAFSA-N 373.500 5.753 30 40 FKEB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)c1 15544768 BDEBVYRYLUHACP-UHFFFAOYSA-N 362.816 5.565 30 40 FKEB C=CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 44088155 BRCFNRXLENUHLP-UHFFFAOYSA-N 372.440 5.727 30 40 FKEB CC(C)=NNc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 72229792 RKDOVRWFDLYGIY-UHFFFAOYSA-N 358.854 5.010 30 40 FKEB Oc1ccc2ccccc2c1/C=N\c1ccc(/N=N\c2ccccc2)cc1 100248244 LLHTVCHNLOWMLO-BASPJLQGSA-N 351.409 6.711 30 40 FKEB C=CC[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118926487 ORIMLGKYXLWGDN-DAVSBLIESA-N 356.550 6.073 30 40 FKEB C=C[Si](C)(C#CCSc1ccccc1)C#CCSc1ccccc1 195827014 UUFWDQACWNDEMU-UHFFFAOYSA-N 364.611 5.460 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225848790 CMBBWURBDFDKNU-JTSKRJEESA-N 374.525 5.440 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(/C(C)=N\O)=CC[C@H]32)C1 1083466280 OVKSHCIVDWZSJD-RXJVQLSESA-N 371.521 5.267 30 40 FKEB CCCCCCCCCCCC1=NCCc2c1[nH]c1ccc(OC)cc21 2123948 INIGDFMPVGSYTL-UHFFFAOYSA-N 354.538 6.443 30 40 FKEB biogenic C=CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 3655881 ZJQHYRFOJQGRHZ-UHFFFAOYSA-N 372.497 5.383 30 40 FKEB CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 3908872 VAPAOKBCGGZGCD-GFCCVEGCSA-N 371.506 5.134 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(O)cc1 4235627 SEEDEOGIVYSPFL-JOCHJYFZSA-N 369.464 5.746 30 40 FKEB biogenic Clc1cccc(/C=N/N=C/c2ccc(Br)cc2)c1Cl 4703546 QFYNKZJKVHGQJX-GCBPPVMSSA-N 356.050 5.209 30 40 FKEB Cc1ccc(-c2nnc(N/N=C/c3cccs3)c3ccccc23)cc1C 5446944 OSXBPKHWMYECQR-LPYMAVHISA-N 358.470 5.421 30 40 FKEB CCOc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C\c1ccccc1 5657115 WHVBSGARQQOLNL-XDJHFCHBSA-N 352.437 5.506 30 40 FKEB COc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c(OC)c1OC 12792268 CVAAEZLZVLUHKH-QPJJXVBHSA-N 372.804 5.008 30 40 FKEB Clc1ccc(-c2nc3cc(/N=C/c4cccs4)ccc3[nH]2)c(Cl)c1 13550453 JFOYBKAFUXCSDI-UFFVCSGVSA-N 372.280 6.349 30 40 FKEB N#Cc1ccc(COc2ccc3occ(C(=O)c4ccc(F)cc4)c3c2)cc1 96184255 ZJQYSYYSFCPIHH-UHFFFAOYSA-N 371.367 5.254 30 40 FKEB COc1ccc(N=NC(=NNc2ccc(OC)cc2)c2ccccc2)cc1 256159513 KWOJBOWVCIBJSE-UHFFFAOYSA-N 360.417 5.261 30 40 FKEB CCc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1 409203516 XNRORTHBNZRWOT-IMRQLAEWSA-N 365.476 6.732 30 40 FKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)cc1 4124215 PDIDWOCUZGHETO-FVQJWRHTSA-N 351.519 5.341 30 40 FKEB Cc1nn2c(SCC#N)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5560964 CCDKQZVCVJRLBA-UHFFFAOYSA-N 370.909 5.271 30 40 FKEB C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1-c1cccnc1 8472079 DKAIDIFZQLJIOT-CYBMUJFWSA-N 356.882 5.033 30 40 FKEB Cc1ccc(/N=C2/S/C(=C/c3c(C)[nH]c4ccccc34)C(=O)N2C)cc1 15224305 ZVPLGTYLVYMWMP-JUAGQRJUSA-N 361.470 5.019 30 40 FKEB CCCCSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 16731609 GRDLXINWWMARJA-UHFFFAOYSA-N 354.372 5.670 30 40 FKEB C=CCCCCCCCCc1n[nH]c(SCCCCCCCC)n1 97952131 LARJDNYBVHYYOU-UHFFFAOYSA-N 351.604 6.717 30 40 FKEB C#CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC 408605019 GBGUWELSLFATGP-UHFFFAOYSA-N 350.245 5.016 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)CC(C)(C)CC3=O)c2c1 408769599 WLUMPNRCVWHEHP-UHFFFAOYSA-N 373.452 5.185 30 40 FKEB Clc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Cl 409216059 HPQAXGCRVROKEO-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 1565964 UMRMMOLWURYTSL-XNTDXEJSSA-N 350.458 5.767 30 40 FKEB Cc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)s1 4545131 YUGLXWABAXYGAU-KPKJPENVSA-N 369.298 5.255 30 40 FKEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCCCCC2)cc1 5898376 QCLAXTNVQHVJFO-SDNWHVSQSA-N 371.427 5.565 30 40 FKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1 6908807 AJUAYHUZWKKGOC-OAQYLSRUSA-N 357.457 5.003 30 40 FKEB Nc1ccc(Br)cc1/C(=N/C1CCCCC1)c1ccccc1 100489597 ZMKUVJFMNGJSES-ZBJSNUHESA-N 357.295 5.201 30 40 FKEB O=C1/C(=C/Nc2cc(C(F)(F)F)ccc2Cl)Sc2ccccc21 100981975 UEOIGHZLDOSPRU-ZSOIEALJSA-N 355.768 5.601 30 40 FKEB COc1ccc(/C=C/C(=N/N=C\c2ccccc2O)c2ccc(F)cc2)cc1 104103457 GFTFCQRPCUHCEL-YUWWQOEDSA-N 374.415 5.077 30 40 FKEB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)oc2c1 408627558 LRBGTCBWDTWJRD-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Cl)cc1 408852141 IQAMRMHNVHWIHG-UHFFFAOYSA-N 365.654 5.223 30 40 FKEB Cc1ccc(C)c(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409096265 DBXHOIWUPBNVMW-UCQKPKSFSA-N 351.902 6.859 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(=O)C[C@@H]2c1ccsc1 1079913 BKIIKGSHNKRIDK-MRXNPFEDSA-N 369.461 5.051 30 40 FKEB C=CCOc1ccc(CNc2ccc(Cl)cc2)cc1Br 6293493 RKWRTQLDPVLEOE-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 27584596 UOKTXYVSCDVUIG-UHFFFAOYSA-N 367.445 5.299 30 40 FKEB Fc1ccc(N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)c(F)c1 33958108 QJCUPBLUJCFQMY-QAKHZNQRSA-N 350.368 5.305 30 40 FKEB CCCCCCCCC(=O)c1ccc(/N=N/c2ccc(OCC)cc2)cc1 68568968 PAVVFNRQFFBTPE-OCOZRVBESA-N 366.505 7.434 30 40 FKEB CCCCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)O 98042985 MCFWEGNPNQTJRO-UHFFFAOYSA-N 370.287 5.227 30 40 FKEB CCCCCCCCCCCCC(=O)Nc1ccc(Br)cc1 100286104 FGTIDJVHTLXABP-UHFFFAOYSA-N 368.359 6.699 30 40 FKEB CSc1cccc(N/C=C/c2onc(-c3ccccc3Cl)c2C#N)c1 100381240 FNXBNBXTPPUTRJ-MDZDMXLPSA-N 367.861 5.671 30 40 FKEB CCCCCCCCCCCCCCS(=O)(=O)NCc1ccccn1 100921879 HWPDYEVEQHUKDO-UHFFFAOYSA-N 368.587 5.202 30 40 FKEB CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 100984488 NTIKCTFOTQCAPY-UHFFFAOYSA-N 367.489 5.629 30 40 FKEB C[C@@H]1CC(C)(C)N2C(=O)/C(=N\c3cccc(C(F)(F)F)c3)c3cccc1c32 101763912 IYLMRCDHXHHVKN-MJDRSGEXSA-N 372.390 5.459 30 40 FKEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225827736 KKLNJGSNPBULLX-KKSFZXQISA-N 360.498 5.050 30 40 FKEB Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408937192 NBMGNSDRYYUKIA-KHGAEZDMSA-N 364.492 6.572 30 40 FKEB CCOc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O 821767 RAZRVDMRKVUDID-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C)c1 4740368 YZLXQBSJZDWDMR-YWNOGDAOSA-N 362.473 5.147 30 40 FKEB CC[C@H]1CS/C(=N\c2ccccc2C)N1C(=S)NC1CCCCC1 6542220 FYCKZRHOYVJXSM-XOMICKMZSA-N 361.580 5.017 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 7813867 OUGLCODDNMDNOU-UHFFFAOYSA-N 353.421 5.323 30 40 FKEB CCCCc1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 13763597 RCDWQZBEZDOEKZ-UHFFFAOYSA-N 365.546 5.476 30 40 FKEB C(=N/c1ccc(-c2ccc(/N=C/c3cccnc3)cc2)cc1)\c1cccnc1 18115349 ACWOOOKWKXFHIC-XUIWWLCJSA-N 362.436 5.645 30 40 FKEB Clc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)c(Cl)c1 20242178 ZLADJOXFGZZYHG-YDZHTSKRSA-N 372.320 7.036 30 40 FKEB O=C1/C(=C/c2ccco2)OCc2nc3ccccc3c(-c3ccccc3)c21 96319355 CXAAAZCDHYNHIO-MOSHPQCFSA-N 353.377 5.249 30 40 FKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)cc1 409074333 TWXYLBHHVLKPPU-YZSQISJMSA-N 374.459 6.277 30 40 FKEB N#CCCn1nc(-c2cc3ccccc3o2)n(C2CCCCC2)c1=S 524733026 MCJRCVFTXAJSSW-UHFFFAOYSA-N 352.463 5.246 30 40 FKEB COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4802636 UGWNKYKPHMNJKO-OIEYBBHHSA-N 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GXYSNPHIKMOQSW-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1C 409082274 ISJHWCFWKNAEGP-PLVXZXGYSA-N 353.535 5.477 30 40 FKEB CCOc1cc2c(cc1/C=N\c1ccc(Nc3ccccc3)cc1)OCO2 409096752 GOFFDOPNWQUTNJ-UCQKPKSFSA-N 360.413 5.308 30 40 FKEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)cc1 1711991 RPYNQNRJOLZBBC-RBUKOAKNSA-N 364.894 5.080 30 40 FKEB C(=N/n1c2ccccc2c2ccccc21)\c1c2ccccc2cc2ccccc12 1787299 BNNMKZHFNBCCRX-MTDXEUNCSA-N 370.455 6.983 30 40 FKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccccc1 3894121 WRKAPKXYPGLJPR-HSZRJFAPSA-N 354.453 5.544 30 40 FKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 3898340 GEWXBHIZCVDKKV-RGVLZGJSSA-N 355.781 5.263 30 40 FKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/C=C/c1ccco1 5376750 DXGAWSVYXFIDIV-RWRSZJBKSA-N 365.241 5.034 30 40 FKEB Cc1cccc(/N=C(\Nc2cccc(C)c2)c2cccc3ccccc23)c1 5589439 KXSKAEHCXXSRQL-UHFFFAOYSA-N 350.465 6.647 30 40 FKEB CCCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OC 6880646 NNLIOAHAKYUQPT-UDWIEESQSA-N 362.267 5.306 30 40 FKEB C=CCOc1ccc(Br)cc1/C=N/c1cccc(Cl)c1C 8277816 ADBHHYKFGNOQQE-RGVLZGJSSA-N 364.670 5.726 30 40 FKEB Cc1cc(Br)ccc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318716 WWOBZKGRXFPJOK-ZHACJKMWSA-N 358.279 5.689 30 40 FKEB Cc1ccc(O)c(-c2cc(-c3ccccc3)nc(/N=C/c3ccccc3)n2)c1 104314346 URHOGTCCBLCWCS-PCLIKHOPSA-N 365.436 5.575 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(Cl)c2)c1C 408857453 OHPHJDSFIBPKNF-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB Cc1cc(/N=C/c2cccn2-c2cccc(Br)c2)ccc1F 409009276 CTQWFGKCTCXURW-CIAFOILYSA-N 357.226 5.438 30 40 FKEB CCN(CC)CC#CC[C@H](c1ccccc1)c1ccccc1Br 2282488 RVPLHAMOIKDANG-LJQANCHMSA-N 370.334 5.316 30 40 FKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccccc1Cl 3133668 PUOYKLGURVXHJE-UHFFFAOYSA-N 374.749 6.085 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)CCc2ccccc2)c1 3256971 UGMVFPHNIASCKM-SFHVURJKSA-N 350.506 5.275 30 40 FKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)cc1 4740356 FHOWOZHHFHHLMD-YWNOGDAOSA-N 362.473 5.147 30 40 FKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccccc3Cl)N=C2O)c1 6642004 NFYHSPBYIVPXPW-YBEGLDIGSA-N 374.849 5.089 30 40 FKEB Fc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 8811834 QLQMCAASPQLCBJ-ZMOGYAJESA-N 368.839 5.182 30 40 FKEB C=CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl 8811978 JSVAJRLJIJLGCD-BUVRLJJBSA-N 350.849 5.182 30 40 FKEB N#CCc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 14198850 ITBNDXPYCPILMS-OAQYLSRUSA-N 358.466 5.225 30 40 FKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(F)c2)cc1Cl 32931742 IFYUQNZJTBVEKQ-IBGZPJMESA-N 364.807 5.387 30 40 FKEB Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl 59249300 GZEUKXOYHUATPU-VXLYETTFSA-N 367.674 5.355 30 40 FKEB CCCCCCCCOc1ccc(-c2nccc(C(OC)OC)n2)cc1 100912627 IRSJYMNVMAWTEW-UHFFFAOYSA-N 358.482 5.174 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1C 105452015 DGWULJBWOJTTEJ-UHFFFAOYSA-N 360.542 5.279 30 40 FKEB COc1cc(C)c(/C=N/c2ccc(Br)c(Cl)c2)cc1OC 408549680 WUNNYXHRWMYKSU-DJKKODMXSA-N 368.658 5.179 30 40 FKEB Cc1ccc(/N=C\c2ccc(N3CCCC3)cc2C)c(Br)c1 408962279 XYIGDODFXRNSRV-BKUYFWCQSA-N 357.295 5.417 30 40 FKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccc5c(c4)OCO5)ccc32)c1 409235941 QQWWIBFVDQODPM-DHRITJCHSA-N 372.399 5.308 30 40 FKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccn1 409243557 SLEALGPMFVXZHI-YZSQISJMSA-N 367.452 6.032 30 40 FKEB CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 5208034 XRJCFZUOXQVWGF-ARHRGINZSA-N 360.501 5.039 30 40 FKEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 8362968 MFCPMTULBCQAAA-CUNGHOPLSA-N 356.878 5.272 30 40 FKEB C=CCc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OC 30851210 PSMXEAMWWQLVEA-DEOSSOPVSA-N 371.480 5.252 30 40 FKEB CCCCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 102559623 DURFQAZNBJPYRJ-UHFFFAOYSA-N 354.321 6.704 30 40 FKEB COc1cc(C)c(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1C(C)C 137395322 RSYGIKOIMULKAT-RCRSJKOXSA-N 372.515 5.001 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2CC(C)C)cc1 408916742 YYGBMJHIEBIVDH-CRUFNBOHSA-N 368.477 5.394 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1 409151616 CNSFUHBZXUCWMC-MDZRGWNJSA-N 370.374 5.434 30 40 FKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC(=O)O 1344282161 ORQIVTIIFIPFDT-NZXNJISKSA-N 358.522 5.267 30 40 FKEB COC(=O)c1c(C)[nH]c(/C=N/c2cccc3ncccc23)c1-c1ccccc1 2289013 LLVRJNYGRBKETE-AFUMVMLFSA-N 369.424 5.076 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 8116552 NAEZEDHWLMRZND-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB CCCCCCCCCCCC[S@@](=O)[C@H]1CCCC[C@@H]1OC(C)=O 8442543 UIXJKRQTHMCKBN-SKPFHBQLSA-N 358.588 5.530 30 40 FKEB CCCCCc1ccc(-c2ccc(-c3ncc(/N=C/N(C)C)cn3)cc2)cc1 18178788 AJSJSFMROVVOCH-OVVQPSECSA-N 372.516 5.765 30 40 FKEB CCCCCCCCCCCCCCSc1ccc2ccccc2c1 100310654 VTJGQFISEHHPRL-UHFFFAOYSA-N 356.619 8.633 30 40 FKEB Cc1cccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 103753647 SKOFHVKNKKBJDN-LPYMAVHISA-N 357.369 5.462 30 40 FKEB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225855384 MRDFUYCKUFRYGT-DRSNIGMVSA-N 372.509 5.050 30 40 FKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408763246 MGYUNDYDLPONSU-FSJBWODESA-N 366.848 5.505 30 40 FKEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 6888961 LLBABHKPMRXSRS-OVCLIPMQSA-N 364.441 5.094 30 40 FKEB O=C(/C=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 16952494 QJKLAKFYCQIUPE-BUHFOSPRSA-N 368.392 5.639 30 40 FKEB COc1ccc(C(=O)/C=C/Nc2ccc(/N=N/c3ccccc3)cc2)cc1 32100070 BRGSSWUORSDFSG-VDNSQZRBSA-N 357.413 5.919 30 40 FKEB Fc1ccc(OCOc2ccc(F)c(C(F)(F)F)c2)cc1C(F)(F)F 2362803788 LGYMIKITLXHESN-UHFFFAOYSA-N 372.211 5.418 30 40 FKEB Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccccc2)cc1 5257545 YGJWIMKUHZPLLA-BUVRLJJBSA-N 356.404 5.124 30 40 FKEB O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Cl)c1O 16480946 OWVICMVRZNFUMO-LPYMAVHISA-N 366.804 5.295 30 40 FKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)NCCOCC 104109853 NJMMTCPRUPAXQO-SFTDATJTSA-N 369.590 5.388 30 40 FKEB C=C(C)[C@]1(C)C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104370300 KDGAGONWGJXDDT-LPEHRKFASA-N 354.919 5.804 30 40 FKEB COc1ccccc1/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C 198083922 IHURFGFDRVULAC-JMKVTYIUSA-N 356.897 5.821 30 40 FKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccccc2S)cc1 408854993 BRFAPNVQQPGSSY-LPYMAVHISA-N 363.438 5.003 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(Cl)c2C)c1C 408966087 JVCJYBMXSHZABX-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB N#C[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl 3117026 TUUBTDGWPIGQJJ-HNNXBMFYSA-N 372.280 5.590 30 40 FKEB Clc1cc(/N=C/c2ccccn2)c(Cl)cc1/N=C/c1ccccn1 4982935 YKBVHGIHWNTIIW-ASIDMNOUSA-N 355.228 5.285 30 40 FKEB Clc1cc(Cl)c(NN=C2CCC(c3ccccc3)CC2)nc1Cl 6598070 CGFPACXQEMVBKN-UHFFFAOYSA-N 368.695 6.168 30 40 FKEB CCCCOc1ccc(/C=N/Nc2cc(C)nc3ccccc23)cc1OC 41127753 MYLLQAIDJZGISO-HZHRSRAPSA-N 363.461 5.177 30 40 FKEB CCCCCCCCCCCCC(=O)c1ccc(C2OCCO2)s1 100322048 UGSVSNIJQLEDSU-UHFFFAOYSA-N 352.540 6.287 30 40 FKEB CCCCCCCCCCOc1ccc(/C=N\c2ccc(CC)cc2)cc1 104149486 ZCBZCMLOLCLUND-QLYXXIJNSA-N 365.561 7.519 30 40 FKEB C=CCOc1ccc(CNc2ccccc2Cl)cc1Br 107686135 RSSBZVDQTFIZGX-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3)c2C)cc1 408759045 WXGWGTGTAWPPIU-BUVRLJJBSA-N 360.457 5.194 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 409080633 IUIOUFBCLWSEEM-OFJBCHTGSA-N 367.474 5.430 30 40 FKEB Clc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccccc2)c1 409215698 DRDVDUBECAWKPI-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB N#Cc1cccc(O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 7441553 CWQPQWCTDPEHPM-HSZRJFAPSA-N 352.393 5.043 30 40 FKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C(F)(F)F)c1 16711492 NJAUZLRHXDPNLC-NKFKGCMQSA-N 360.404 5.654 30 40 FKEB CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 97978717 YJNJZBHIONMSLW-UHFFFAOYSA-N 367.530 5.465 30 40 FKEB CCCCCCCCC[C@@H](CCCCC)C(=O)NCCCCCCC 101673673 HHXSOVSLXMHUAX-JOCHJYFZSA-N 353.635 7.410 30 40 FKEB CCCCCCCCCCCCSC(=S)SCCC(=O)O 103005742 MSUZWAYOTYITCL-UHFFFAOYSA-N 350.615 6.133 30 40 FKEB CCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCC 104136812 ZGZLVCQADFTQMF-UHFFFAOYSA-N 368.606 5.500 30 40 FKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408915557 XSABXKCQNSUHRJ-FSJBWODESA-N 366.848 5.505 30 40 FKEB N#C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1666844 WRMHSUWVRRMXIN-YADHBBJMSA-N 370.408 5.259 30 40 FKEB COc1ccc(OC)c(/C(C)=N/Nc2cc(C(F)(F)F)ccc2Cl)c1 4927289 YTWVAHPMKVNYRK-LSHDLFTRSA-N 372.774 5.212 30 40 FKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4ccc5c(c4)OCO5)ccc3o2)c1 5539867 WCNKBBXOJCXYAO-WYMPLXKRSA-N 370.408 5.591 30 40 FKEB Cc1ccc(/N=C/c2cc(/N=N\c3cccc4ccccc34)ccc2O)cc1 5540178 MHMVMPSQMTUFRX-IIXLPLMRSA-N 365.436 7.020 30 40 FKEB Cc1nn(-c2ccccc2)c(COc2ccc(-c3ccccc3)cc2)c1C#N 6585966 GNEXEZDACRRVCT-UHFFFAOYSA-N 365.436 5.298 30 40 FKEB N#Cc1cc(Sc2ccc(Cl)cc2)c(N2CCCCCC2)cc1C#N 24522924 BZPQXDBMCXYNMX-UHFFFAOYSA-N 367.905 5.615 30 40 FKEB C=C(Cl)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 33477258 JSJQEQYFTCCEHV-BOPFTXTBSA-N 372.852 5.055 30 40 FKEB CC(C)=NNc1nc2c(Br)cc(-c3ccccc3)cc2s1 40542461 IWRCZCSHOAMCPY-UHFFFAOYSA-N 360.280 5.534 30 40 FKEB CN[C@@]1(c2ccccc2Cl)CCC/C(=C/c2ccc(Cl)cc2)C1=O 89392237 LAVGDRDRBJXNQN-AFRXXKALSA-N 360.284 5.245 30 40 FKEB CCCCCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 98001385 HQSOTWXZEKLQPG-UHFFFAOYSA-N 367.489 5.846 30 40 FKEB biogenic CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\S/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 100661909 HFXCDODISUHAAO-CSKUZKNTSA-N 358.547 5.538 30 40 FKEB CCCCc1ccc(/N=c2\cc(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102491782 ZMCSTOXAMCISAU-YYDJUVGSSA-N 354.457 5.176 30 40 FKEB Clc1ccc(/C=N\CC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 104141278 JHGVHCZURAWKBT-CHQRTDLRSA-N 374.098 5.838 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCNC(C)=O 104201405 TWLZKZDQUDPTOA-UHFFFAOYSA-O 355.631 5.680 30 40 FKEB COc1ccccc1/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C 223587351 KJAUHBJZAPWCJK-BIKZULFDSA-N 364.533 6.255 30 40 FKEB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225765638 FXJYWRSXAPFGFU-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB CC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 225798889 ZTXNYRJOLSLEJP-QGZVFWFLSA-N 374.525 5.151 30 40 FKEB CC(C)N1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@H](C)CC1(C)C 260568375 OLDFISVCIPCPQR-NAHYFOQLSA-N 363.549 6.004 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1C 408740163 IYUSTSAJKKBYBB-QRVIBDJDSA-N 361.445 5.678 30 40 FKEB Cc1[nH]c(=N)c(C#N)c(-c2ccc3[nH]c4ccccc4c3c2)c1-c1ccccc1 408979033 KWDCYZSNCVFIDD-UHFFFAOYSA-N 374.447 5.643 30 40 FKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccccc2)c(C)s1 409051856 GXMPWMLSLDEHSC-DISHFHGWSA-N 351.450 5.759 30 40 FKEB O=C(c1ccc(-c2ccccc2)c(F)c1)C(F)(F)C(F)(F)C(F)(F)F 575357331 GXKIOROUPMHDNW-UHFFFAOYSA-N 368.223 5.508 30 40 FKEB C=CCn1c(-c2ccccc2)csc1=Nc1ccc(-c2ccccc2)cc1 584906140 BDVMMIHPPMTFPS-UHFFFAOYSA-N 368.505 6.302 30 40 FKEB Cc1cc(-c2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)c1C#N 3278024 KGLPPLMMDKAWAF-UHFFFAOYSA-N 352.224 5.641 30 40 FKEB Cc1nc2c(c3[nH]c4ccccc4c13)/C(=N/Nc1ccccc1)CC(C)(C)C2 4754582 DROGCQQPXYJKCQ-VFCFBJKWSA-N 368.484 5.813 30 40 FKEB S=C1/C(=N\c2ccccc2)N=C(Nc2ccccc2)N1c1ccccc1 5428421 SGASNBJQJIIQBG-UHFFFAOYSA-N 356.454 5.032 30 40 FKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2c(Cl)cccc2Cl)c1 6566175 PWNMSWMBLRVJMB-QPSGOUHRSA-N 367.585 6.112 30 40 FKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCCC2)n1 7995307 CVPYJVWPFHXUKQ-UHFFFAOYSA-N 366.534 5.025 30 40 FKEB CCCCCCCCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 68568958 DQLOCJPJWKCPOE-UHFFFAOYSA-N 355.478 5.687 30 40 FKEB biogenic CC1=CC(C)(C)N(C)c2cc(C)c(C=C3C(=O)c4ccccc4C3=O)cc21 113813424 VKJCXBJWQMDYLY-UHFFFAOYSA-N 357.453 5.089 30 40 FKEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)cc1C#N 225827659 OJBVRKRYXCZESX-OAQYLSRUSA-N 360.498 5.051 30 40 FKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cn1 408967581 RCCKWPZKOBUFFD-OYKKKHCWSA-N 361.489 5.546 30 40 FKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1 409101922 BXSCJKMIZFWANZ-FOCLMDBBSA-N 359.425 5.604 30 40 FKEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 20761878 FUEUUZCDDHMQTR-YDZHTSKRSA-N 354.837 5.041 30 40 FKEB Cc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)F)cc2)cc1 44088153 FIYQENVEXKIMQC-UHFFFAOYSA-N 371.412 5.065 30 40 FKEB CCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@H]12 70665153 CYZKFNCUYBQMOB-CVDCTZTESA-N 356.554 6.339 30 40 FKEB biogenic CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 98001373 OSKQVZNKQOAKCG-UHFFFAOYSA-N 366.505 6.018 30 40 FKEB biogenic COc1ccc(Cl)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 101093556 CZROSKCVKGPUBB-UHFFFAOYSA-N 361.828 5.525 30 40 FKEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl 101471481 ZCDSLTJPCNZQPM-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c2ccccc12 226362464 CAKLKCUSATXCKP-PKNBQFBNSA-N 372.811 5.780 30 40 FKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)cc1 409081070 GDBDJOIAQQVDOF-QFEZKATASA-N 365.904 6.264 30 40 FKEB COc1ccccc1Oc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 409096604 DRLGWYHVHBBUJN-PCLIKHOPSA-N 369.420 6.097 30 40 FKEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@@H]3CC[C@@]21C 504753018 BKNXOKQXQDHUJC-PQZIIDKGSA-N 368.517 5.025 30 40 FKEB O/C(=N\c1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F 826363 YWWNWWVJOHGWQH-UHFFFAOYSA-N 350.324 5.409 30 40 FKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)cc1 4740355 FHOWOZHHFHHLMD-HNZYNWIWSA-N 362.473 5.147 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219816057 GEBYIBWZKRDOFJ-FQEVSTJZSA-N 369.530 5.491 30 40 FKEB CCOc1cccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408760033 QHRSUCHJCOMEKB-UCQKPKSFSA-N 352.865 5.897 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1Cl 408934703 MFCNRTNYQIPHCU-QNEYSMKTSA-N 370.802 5.982 30 40 FKEB Cc1ccc(-c2nc(C#N)c(Sc3ccc(Br)cc3)o2)cc1 1775975938 HGZUYUMYHIGJKP-UHFFFAOYSA-N 371.259 5.435 30 40 FKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 677796 SBZOGBBZIOWZTK-DEOSSOPVSA-N 355.437 5.522 30 40 FKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1055519 KAARRSPGPBSGIS-OEAKJJBVSA-N 374.396 5.181 30 40 FKEB COc1cccc(/C=N/c2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1O 3192670 VYRVIMUPEMUBLH-ZMOGYAJESA-N 372.424 5.576 30 40 FKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cccnc1Cl 3211600 OLZFTYQHXMBHCG-UHFFFAOYSA-N 368.889 5.361 30 40 FKEB FC(F)Oc1ccc(N/C(S)=N\[C@H]2CCSc3ccccc32)cc1 5225417 MJCLMWYJIAUXBJ-AWEZNQCLSA-N 366.458 5.223 30 40 FKEB O/N=C1/CCCCCCCCCC[C@H]1N1CCC(c2ccccc2)CC1 100950509 MAFPEDHENQJTET-UGUGFTGJSA-N 356.554 5.979 30 40 FKEB CCCCCCCCCCCC[C@@H](/C=N/O)S(=O)(=O)c1ccccc1 100955143 LELAWXCGQNNCFB-ASBZNUFUSA-N 367.555 5.600 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 223618612 DAARFMCBZDFQDC-LTOJSDLTSA-N 356.897 5.821 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225848432 ZRPMVDYMFKLOKG-NRFANRHFSA-N 360.498 5.050 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 408762994 DEAQLFVZIRBIMH-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408967671 RMXYNMMNEXYWND-WGOQTCKBSA-N 372.512 6.345 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1Cl 409020094 LWBQURGWUMGYDK-GVHCZZSVSA-N 366.244 5.620 30 40 FKEB CCCCCc1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1 409349562 UGWKAXIORKTXEH-BUHFOSPRSA-N 372.306 5.990 30 40 FKEB N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2 2746975 QGMQJFGXRAPXRY-SJORKVTESA-N 350.487 5.021 30 40 FKEB Clc1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)cc1Cl 3113780 ZQAUIBPMHASXQN-FSJBWODESA-N 367.235 6.552 30 40 FKEB CCCC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 4649220 DXXNLALAPJANGF-AWNIVKPZSA-N 372.262 5.084 30 40 FKEB COc1ccc(-c2csc(N/N=C3/C[C@]4(C)CC[C@H]3C4(C)C)n2)cc1 4746651 OHQOTSWIQKHXGB-NNLDNROSSA-N 355.507 5.433 30 40 FKEB CCCc1cc(SCc2ccc(C)cc2)n2c(nc3ccccc32)c1C#N 6187114 XXZSTJUMALRTCW-UHFFFAOYSA-N 371.509 5.912 30 40 FKEB Clc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)c(Cl)c1 17086108 CXAUDWXPQUTXPV-XREZVLSMSA-N 374.296 6.228 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(Br)cc1 59678372 LPHHVSJFGDZJFJ-CIAFOILYSA-N 373.681 5.952 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@@H]3CC[C@@H]2C1 90760273 GBSGMSKNTLPLQF-HRKUSUEGSA-N 356.506 5.006 30 40 FKEB Cc1nn(-c2ccccc2)c(/N=C/c2ccccc2O)c1-c1ccccc1 100150475 ZKGPVVHWUJZKMN-LFVJCYFKSA-N 353.425 5.304 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1 105651270 XHWMUGJEWIYPPD-UHFFFAOYSA-N 366.933 5.316 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C 408708105 GUSZRZNMZKDRHL-UHFFFAOYSA-N 374.569 5.786 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3cccc(C(=O)O)c3)c2c1 408784333 RTMZKYFINCUNPJ-OYKKKHCWSA-N 370.408 5.292 30 40 FKEB C=CCc1cc(CO)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409117929 MDGOECHQOKGNKN-UHFFFAOYSA-N 367.272 5.192 30 40 FKEB Cc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1Cl 575243089 XUDTVSBYIOKXNS-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB CC(C)(C)c1cc(C#N)c(OCc2ccc(C(F)(F)F)cc2)c(C#N)c1 1387086 JKQBKICEAHHOIW-UHFFFAOYSA-N 358.363 5.325 30 40 FKEB c1ccc2c(c1)/C(=N/Nc1ccc3ccccc3c1)c1nc3ccccc3nc1-2 6244297 WJTFTQVSPQBHRH-OLFWJLLRSA-N 372.431 5.628 30 40 FKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Oc3ccccc3)cc2)cc1 32100334 CTODLMRTDCXVLV-WUKNDPDISA-N 359.425 5.686 30 40 FKEB C=C(Br)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21 35167675 CDFQZEOVFDIGFA-DHZHZOJOSA-N 357.226 5.254 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 118915921 DGKAJFBWCOTIQA-BEMQVYBMSA-N 373.537 5.347 30 40 FKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408942142 XSNCRETUGNMNQN-OCMSHMNRSA-N 364.492 6.572 30 40 FKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 409232241 PJHOAPKZWMRPAH-KOEQRZSOSA-N 366.420 5.593 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1Cl 1240106 JNFHSCFXVNXKOA-FQEVSTJZSA-N 352.865 5.562 30 40 FKEB CCCCCC12CCC(COS(=O)(=O)c3ccc(C)cc3)(CC1)CC2 2049210 FLKXPOVEJPDGRX-UHFFFAOYSA-N 364.551 5.621 30 40 FKEB Brc1ccccc1/C=N/c1ccc2oc3ccccc3c2c1 3251059 OGCMIPNTUJQBSE-CIAFOILYSA-N 350.215 6.099 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cnc1SCc1c(C)noc1C 3386736 MNBDWIDPWZXCOJ-UHFFFAOYSA-N 359.882 5.287 30 40 FKEB O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 6223267 DIQLGPYPJBTFJT-OEAKJJBVSA-N 365.816 5.110 30 40 FKEB O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 6225325 TYJRRSAZLFUMBZ-BQYQJAHWSA-N 371.658 5.730 30 40 FKEB COc1ccc2c(C)cc(N/N=C\c3ccc(OC)c4ccccc34)nc2c1 31769284 UXTPIEAVVBFYIV-OYKKKHCWSA-N 371.440 5.160 30 40 FKEB O=C1OC2=C(C(=O)c3ccccc32)[C@H](c2ccccc2)Sc2ccccc21 59428061 JZYJFJHLSQFGDZ-QFIPXVFZSA-N 370.429 5.298 30 40 FKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(C)c(C)c1 59489030 QSMFSVGSFLLLPB-SFQUDFHCSA-N 358.279 5.655 30 40 FKEB Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118928001 OEFVYGZGLIGBOP-QSDWMKNISA-N 366.549 5.415 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)/C=C\C(F)(F)C(F)(F)C(F)(F)F 200847735 NIJFGUAYRFPTBD-UPHRSURJSA-N 364.076 5.208 30 40 FKEB C=CCSc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 219799714 KSHNZPJTGPRDSU-UHFFFAOYSA-N 352.286 5.202 30 40 FKEB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C#N)c1 225823818 HQUANBOENCYYDS-UHFFFAOYSA-N 374.525 5.153 30 40 FKEB Cc1ccc(Cn2c(C#N)cc(N)c2Sc2ccc(Cl)cc2)cc1 225889017 ZFTMOVDJECBJCJ-UHFFFAOYSA-N 353.878 5.103 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Br)cc2F)C1 408563582 OKEPSEAAYQPECK-XZHRJIJLSA-N 368.290 5.689 30 40 FKEB CCCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 408912029 KJXADHCKTVXJAE-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 409202795 SFGQDEOURGXMFX-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB N#Cc1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCCC2 4075737 MIZAQHHDRLIYFL-UHFFFAOYSA-N 372.493 5.342 30 40 FKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C 6278145 LDQHFSPWROCFRY-INIZCTEOSA-N 366.530 5.640 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3c(F)cccc3Cl)c2C#N)C1 6323034 MWBNLSAXMPVWLD-IVWKQIGUSA-N 374.912 6.314 30 40 FKEB CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 11864643 UCDFVJIWJUKOQD-DNTJNYDQSA-N 374.651 5.433 30 40 FKEB C(=C1/CCC/C(=C/c2ccccc2)C1=NNc1ccccc1)\c1ccccc1 31830005 QQRAQEBHQRSEGT-SRPFLQSCSA-N 364.492 6.806 30 40 FKEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(-c2ccccc2)cc1 33441463 VHIKYLQXVQTIKW-VBIHIHSNSA-N 357.482 5.232 30 40 FKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C(C)C)cc3)nc1-2 59459300 AXRXIYZXVLOYRG-YDZHTSKRSA-N 362.498 5.791 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ncccc13)[C@H]2c1cccc(O)c1 1080236 IANTVXCXOVTGHY-OAQYLSRUSA-N 370.452 5.141 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 1436339 XPJVNFMTLKGNIW-HYARGMPZSA-N 370.368 5.062 30 40 FKEB CCCCCCCCOc1ccc(NC(=S)Nc2ccccc2C)cc1 3092173 FYRGWWVXIUGMPE-UHFFFAOYSA-N 370.562 6.543 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 5569366 WOVNMQVPXPZGDE-BQYQJAHWSA-N 371.061 5.564 30 40 FKEB COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(Oc3ccccc3)c1)C2 5720275 SFALPUXWEDISBQ-WOJGMQOQSA-N 372.420 5.319 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(F)c1F 9482241 XLXSHTUBGLCKPF-HXUWFJFHSA-N 354.400 5.187 30 40 FKEB N#Cc1c(NC(=O)CCCSc2ccc(F)cc2)sc2c1CCCC2 10218108 WARQEZWBLOKJGE-UHFFFAOYSA-N 374.506 5.149 30 40 FKEB CC(C)=NNc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 72229663 BBFMQIZAPQKRLU-UHFFFAOYSA-N 364.430 5.103 30 40 FKEB Clc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 95498613 IIOVXUQMCPZOPX-HZHRSRAPSA-N 366.848 5.187 30 40 FKEB Clc1ccccc1/N=C\c1ccc(/C=N\c2ccccc2Cl)cc1 101487904 PZGVNFWUAIWZMQ-GACBQCINSA-N 353.252 6.495 30 40 FKEB CC[C@@H]1C[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1/C(C)=N\O 118913398 GIIPSNRPRUJDDZ-CTCLYRJISA-N 372.553 5.882 30 40 FKEB CCCCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 408912040 KMJZIYRMJGEYPP-ZIGJTDFESA-N 368.477 5.538 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccccc2CC)cc1OCC 409115541 JKKCEYRHXUNABV-UHFFFAOYSA-N 351.490 5.553 30 40 FKEB CCCCCCCCCCNc1nc(N)nc(Nc2ccc(C)cc2)n1 1653047 XJZBUZGUQSOSJK-UHFFFAOYSA-N 356.518 5.058 30 40 FKEB Clc1ccccc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 5518978 FCTUBHKDYPVRBY-AUEPDCJTSA-N 364.861 5.458 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1cccc2ccccc12 5610649 WXKRUSSVUJJVBH-LDADJPATSA-N 364.857 5.385 30 40 FKEB Cc1ccc(/N=C/C2=C(O)C[C@@H](c3ccc(C(C)(C)C)cc3)CC2=O)cc1 6267035 RVTBCJNHVOUFDQ-BFTFCADCSA-N 361.485 5.954 30 40 FKEB C(C#Cc1ccccc1)#CCn1c(-c2cc3ccccc3[nH]2)nc2ccccc21 6423923 IHRNBSNORVEBIM-UHFFFAOYSA-N 371.443 5.240 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 8084780 JKUYTCQXWNPODC-PCLIKHOPSA-N 359.469 5.896 30 40 FKEB CCCCCCCCCCCCNC(=O)c1ccc(C)c(O)c1[N+](=O)[O-] 8397517 IZAITOYWKQRABU-UHFFFAOYSA-N 364.486 5.260 30 40 FKEB COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)sc1C 13137625 YVUWXJFGVIZYFI-GQCTYLIASA-N 351.265 5.032 30 40 FKEB N#CCOc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1Cl 16408393 RWIBLXIYAOERHT-VMPITWQZSA-N 366.631 5.445 30 40 FKEB CCCCCCCCCCC[C@H](O)C[C@H]1OC(=O)[C@@H]1CCCCCC 59767560 RSOUWOFYULUWNE-PWRODBHTSA-N 354.575 6.170 30 40 FKEB in-vitro Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c2cccnc12 92117035 HFPZHIOMOQVMTB-AWQFTUOYSA-N 361.626 5.107 30 40 FKEB CCCCCCCCCCOP(O)OCCCCCCCCCC 113190102 WYPOCAVDDXABIF-UHFFFAOYSA-N 362.535 7.520 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)cc1 408691878 VMSGDPBQEKKPNN-BUHFOSPRSA-N 362.856 6.124 30 40 FKEB CCOc1cccc(/N=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)c1 408959862 HDDDZXUQTHZVAT-XYGWBWBKSA-N 360.501 6.114 30 40 FKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(OCC)cc1 409111153 BGTFQMRMUFTNFM-UHFFFAOYSA-N 350.245 5.016 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C(C)=O)c3)c2C)cc1 409191001 YAQCSIDZHANVLJ-BUVRLJJBSA-N 360.457 5.446 30 40 FKEB O=C1C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)c2ccccc21 409391575 JWAYRGSCKQHEDH-UHFFFAOYSA-N 369.203 5.716 30 40 FKEB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 705209 NRJXVSKKLFBEBW-HSZRJFAPSA-N 366.464 5.120 30 40 FKEB C=CCOc1ccc(CNc2ccc(Br)cc2)cc1Cl 6295866 FUSXPKVMPSORRM-UHFFFAOYSA-N 352.659 5.279 30 40 FKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc2c(c1)-c1ccccc1C2 6890420 WCVJUCPMEVKUSC-ZHACJKMWSA-N 365.259 6.461 30 40 FKEB C=CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 8254574 MYYOXVYQLRSXDB-UHFFFAOYSA-N 366.288 5.247 30 40 FKEB COc1ccc2c(C(F)(F)F)cc(SCc3ccc(C#N)cc3)nc2c1 12249674 ZQOKAFWXDQZQEV-UHFFFAOYSA-N 374.387 5.426 30 40 FKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2Cl)cc1 12466501 UWXXDBDQXBPYOG-MTJSOVHGSA-N 370.909 5.441 30 40 FKEB O=C1/C(=C\c2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 100041469 NUURGOCMONEDNX-NXFOLNHESA-N 356.450 5.495 30 40 FKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c2ccccc12 226362486 GEDOHDOVJYZOFJ-ZRDIBKRKSA-N 356.356 5.266 30 40 FKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408941668 KABYLCQTRAFAES-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB Cc1cc(/C=N/c2ccccc2O)c(C)n1-c1ccc(Br)cc1 1091599 UWULBBKXNDTWIH-CIAFOILYSA-N 369.262 5.313 30 40 FKEB CCO[P@](=O)(C#CC(C)(C)C)[C@@H](Nc1ccccc1)c1ccccc1 2194185 QKBFVPZBQBAFCQ-CJFMBICVSA-N 355.418 6.119 30 40 FKEB ON=C(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 5253646 ZZCZYXVBPGOSOQ-UHFFFAOYSA-N 358.315 5.708 30 40 FKEB N#C[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 5488928 VRIGHLDDQQOJIT-YADHBBJMSA-N 359.856 6.004 30 40 FKEB CCN(Cc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N 23055082 AEGGKXDORMAMSA-UHFFFAOYSA-N 372.493 5.372 30 40 FKEB CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)O 32787907 GWHCXVQVJPWHRF-MDZDMXLPSA-N 366.630 8.449 30 40 FKEB biogenic C(#Cc1cccs1)c1cccc(NCc2coc(-c3cccs3)n2)c1 40071588 GFUKMOWNBDGCEM-UHFFFAOYSA-N 362.479 5.477 30 40 FKEB CCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 59663901 LHJLTQUNCCWOQL-HAVVHWLPSA-N 353.462 5.875 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2ccccc2I)cc1 408550087 DMTGTRSGNRNAEW-HCZVKUGISA-N 363.242 5.555 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)c1 408964285 CSHCQVGGJNJNFZ-IWIPYMOSSA-N 360.457 5.330 30 40 FKEB C=CCN(C(=O)Nc1cc2ccncc2c2ncccc12)c1ccccc1 408973324 ANXVOGZMBZSMDN-UHFFFAOYSA-N 354.413 5.008 30 40 FKEB COc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 1059293 CKRUKRGOLBOHAQ-KOEQRZSOSA-N 367.452 5.607 30 40 FKEB N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1cccc(Cl)c1 3133094 XOVHWHHESLSDIK-UHFFFAOYSA-N 357.265 6.078 30 40 FKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 5500608 AJRTUTSNYAFQKC-UHFFFAOYSA-N 371.893 5.085 30 40 FKEB Cc1c(C(=O)c2ccc(C(C)(C)C)cc2)sc(Nc2ccccc2)c1C#N 6399455 QNUOGWSHTABBSF-UHFFFAOYSA-N 374.509 6.200 30 40 FKEB CCOc1cccc(/C=N/c2cc(-c3nc4ccccc4[nH]3)ccc2C)c1O 6420061 USINRJYDNZKQSF-ZVHZXABRSA-N 371.440 5.393 30 40 FKEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OC(C)C 18033373 DHLBXQRTCRTHOH-WSDLNYQXSA-N 354.475 5.045 30 40 FKEB CCCCN(C)c1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820335 RTPTYLUEIJTMCP-UHFFFAOYSA-N 368.550 5.271 30 40 FKEB Clc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)c(Cl)c1 58822851 SNEFLKMCVZRCPG-YDZHTSKRSA-N 371.267 6.018 30 40 FKEB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCC2)c1 225678812 AXSVGPVFYXUUAH-UHFFFAOYSA-N 362.473 5.104 30 40 FKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1 408790429 RHCZWQRTSTWQHS-ONUIUJJFSA-N 367.496 6.252 30 40 FKEB CCCCCCCCNC(=O)Nc1cc2ccncc2c2ncccc12 408973907 CMJMRSRWRJXXML-UHFFFAOYSA-N 350.466 5.265 30 40 FKEB Cc1ccccc1Sc1ccc(NC(=O)c2ccccc2C)cc1C#N 4060070 IUWXQVXTXSZVJV-UHFFFAOYSA-N 358.466 5.579 30 40 FKEB C=C[C@]1(C)[C@@H](O)CC[C@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C 4533100 LCPAUIIWRMSYSN-CFSHIEIOSA-N 362.554 5.124 30 40 FKEB Oc1c(Cl)cc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 6505213 SNXXEHHZUDZDAK-AWQFTUOYSA-N 368.702 5.196 30 40 FKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC 6959664 OCKWOOKJYVVLEK-SRZZPIQSSA-N 352.261 5.850 30 40 FKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccccc3)cc2)cc1 10118704 YFZXKRCSVJUVLT-BUVRLJJBSA-N 350.849 5.043 30 40 FKEB N#Cc1c(NC(=O)c2cc3c(s2)CCCC3)sc2c1CCCCC2 20606445 ZVKPFUGSWWXOCM-UHFFFAOYSA-N 356.516 5.081 30 40 FKEB CCCCCCCCCCCCCCCCCCSC[C@H](O)CO 85478348 WHCHVADSXPASOY-OAQYLSRUSA-N 360.648 6.334 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 105517337 FRRKAQNLSWACTK-UHFFFAOYSA-N 360.542 5.279 30 40 FKEB C=CCOc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 210198196 ZKBOHVIVVZCJET-GZTJUZNOSA-N 371.845 5.146 30 40 FKEB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCCC2)cc1 225680525 JAYAFFJNWHXQLW-UHFFFAOYSA-N 362.473 5.104 30 40 FKEB Clc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 408850475 AQOLUFMWRNUQPM-NDENLUEZSA-N 359.654 5.644 30 40 FKEB CCc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409212088 PXSJZGVGGWOGMP-HAHDFKILSA-N 360.413 5.487 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3O)cc2)cc1 409249751 OIRIIYLHKIPZCM-XKZIYDEJSA-N 353.874 6.256 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3C)c2C#N)C1 4603854 SXCZOUFWASJGKV-HNNXBMFYSA-N 366.530 5.722 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1Cl 4672020 WDNCHXFLINDQTP-KEBDBYFISA-N 360.638 5.712 30 40 FKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl 5174775 BENNASCMHHJLCO-CIAFOILYSA-N 368.824 5.102 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 5547744 HFNQJWLHFARLKE-JXMROGBWSA-N 367.788 5.713 30 40 FKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 10118938 PBGJTKUODPRZFM-ZMOGYAJESA-N 355.844 5.010 30 40 FKEB CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccccc2)n1 33325303 NPBUINUAOXNBCI-UHFFFAOYSA-N 352.850 5.134 30 40 FKEB CCCCCCCCCC[C@H](SCC)C(=O)c1cc(C)ccc1O 100931367 GZGKWQBLAILRFW-FQEVSTJZSA-N 350.568 6.536 30 40 FKEB C=CCOc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225375221 DROBOWULDYFMLO-UHFFFAOYSA-N 350.245 5.130 30 40 FKEB C=CCn1c(-c2ccccc2)csc1=Nc1cccc(Br)c1 254423471 OPIKJMFWZJSRHS-UHFFFAOYSA-N 371.303 5.398 30 40 FKEB CCc1ccc(C2=C(Cl)C(=O)C(c3ccccc3)=C(Cl)C2=O)cc1 1579945 BQPGAXMQMDPPLR-UHFFFAOYSA-N 357.236 5.001 30 40 FKEB FC(F)(F)c1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 4925845 QMYSKEHXOHLKNP-LIMNOBDPSA-N 366.692 5.824 30 40 FKEB O/N=C1\C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1Cc1ccccc1 5769167 ODMJIIJUJAYBCI-LOPIBSKXSA-N 356.469 5.151 30 40 FKEB Fc1ccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)nc2)cc1 8925808 DFYNPZYKTVHSIS-FSJBWODESA-N 372.852 5.576 30 40 FKEB N#Cc1c2c(c(COc3ccc(Cl)cc3)n3c1nc1ccccc13)CCC2 12656204 ZMELQEQRIPRJQP-UHFFFAOYSA-N 373.843 5.080 30 40 FKEB O=[N+]([O-])c1ccc(/N=N/C(Cc2ccccc2)=N\Nc2ccccc2)cc1 18066225 IIWSYCPYQWJAEC-JVVTXYFXSA-N 359.389 5.347 30 40 FKEB CCCN(CCC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 18276573 PDGFZHAEZIOIRO-UHFFFAOYSA-N 355.485 5.914 30 40 FKEB COc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1O 20242110 IRKLBCQBPZJXTH-MFKUBSTISA-N 361.485 5.619 30 40 FKEB CCCCCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 98048084 UFYWJYZBINUZHE-UHFFFAOYSA-N 350.510 5.786 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1cc(C)ccc1C 408911203 ZDZFEHQMDCWFGB-FTIPTLOASA-N 370.905 5.581 30 40 FKEB C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12 2742493 DEVKWRJKYHWNPQ-UHFFFAOYSA-N 356.469 5.333 30 40 FKEB ClC1=C(/C=N/OCc2ccc(Cl)cc2Cl)CCc2ccccc21 4091918 YKFFROOBAVJFJS-LSHDLFTRSA-N 366.675 6.092 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(Cl)cc1 4931602 UXYMOWDPBVSCQH-VAWYXSNFSA-N 357.240 5.384 30 40 FKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 5252664 DWLAPAUAIACWEG-DNTJNYDQSA-N 356.636 5.422 30 40 FKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(OCC)c2O)c1 6396817 PDVQDIZOODLGOS-LPYMAVHISA-N 374.868 5.324 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 8334676 CLVOIKGOBLJYHQ-YDZHTSKRSA-N 365.864 5.201 30 40 FKEB O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 12375745 NUURGOCMONEDNX-SUJVXMJXSA-N 356.450 5.495 30 40 FKEB Clc1cc(Cl)cc(/N=C/C=C/Nc2cc(Cl)cc(Cl)c2)c1 18252303 WCKYYJKBGZSGCJ-CKDLINKZSA-N 360.071 6.628 30 40 FKEB CC(C)c1ccccc1N1C(=O)/C(=C/c2ccc(C#N)cc2)SC1=S 96921023 SPEQKWCXGAPWJS-WQRHYEAKSA-N 364.495 5.087 30 40 FKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCCC 409112797 DBKOWSSHMQIHLM-UHFFFAOYSA-N 353.506 5.832 30 40 FKEB Fc1ccc(C(F)(F)F)cc1OCOc1cc(C(F)(F)F)ccc1F 2362803732 CRXQEGQQWQYQCF-UHFFFAOYSA-N 372.211 5.418 30 40 FKEB O=C1C(=C(Br)Br)c2ccccc2-c2ccccc21 1722434 LJKBEYZAVCAINB-UHFFFAOYSA-N 364.036 5.008 30 40 FKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3[C@H]2CC=CCC2)cc1 4948835 MOKATNFSLUOWDM-JTSKRJEESA-N 373.500 5.362 30 40 FKEB COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 7141261 DTJXHDVXLSHNSX-SDNWHVSQSA-N 374.436 5.276 30 40 FKEB COc1ccc(C(=O)C/C(=C\C(=O)c2ccc(C)cc2)c2ccccc2)cc1 8302494 MZYJCYWQYOQKBH-CJLVFECKSA-N 370.448 5.543 30 40 FKEB CCCCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 8385749 QFOIQDPCUDJBLR-UHFFFAOYSA-N 356.598 6.256 30 40 FKEB biogenic CN(C)c1ccc(/C=C/C=N\N=C2c3ccccc3-c3ccccc32)cc1 8627694 KBBXQLBCPISXLD-SIOYSBSZSA-N 351.453 5.270 30 40 FKEB C/C(=N/Nc1ncnc2sc3c(c12)CCCC3)c1ccc2ccccc2c1 13923920 LXKMBZDYNHLGHB-QFEZKATASA-N 372.497 5.559 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1c(C)cc(C)cc1C 16711519 VVBDFZAPAYIGMR-FCQUAONHSA-N 364.514 5.569 30 40 FKEB Brc1ccccc1/C=N\Nc1nc(-c2ccccc2)cs1 31854348 YXJBGPKCNKZENH-ZDLGFXPLSA-N 358.264 5.019 30 40 FKEB CCOc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O 98086890 AWCJCBRVKJWDOV-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB Cc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1 102667198 UMZUPSIXMZIYFA-HXUWFJFHSA-N 369.464 5.773 30 40 FKEB N=C1N(c2ccccc2)C(=S)/C(=N/c2ccccc2)N1c1ccccc1 102918427 SOLNIHCIAWZQOF-AGLLHOABSA-N 356.454 5.006 30 40 FKEB F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 103529994 UAEWLONMSWUOCA-OWOJBTEDSA-N 350.049 5.168 30 40 FKEB Clc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccccc2)cc1 408722199 FEBWEZUDLXFZDF-BUVRLJJBSA-N 374.896 6.881 30 40 FKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Cl)s2)S1 408966771 NZCPGZWRFGGIOL-GHXNOFRVSA-N 369.298 5.255 30 40 FKEB Cc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1Cl 409013326 UKMYLMUEYIZVGL-JJFYIABZSA-N 363.675 6.497 30 40 FKEB Cc1ccc(-c2oc(/N=C/c3ccco3)c(C#N)c2-c2ccc(C)cc2)cc1 409351960 ZVDNPKWUKIDPAC-CVKSISIWSA-N 366.420 6.446 30 40 FKEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 1413059 WBDKDHUZARYJPL-OAHLLOKOSA-N 352.503 5.332 30 40 FKEB O=C(O/N=C/C=C(\Cl)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2577947 CCJZSNDUCRJVMO-ZMSCOZPXSA-N 354.620 5.416 30 40 FKEB C[C@H]1CCc2sc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2C1 3373233 DWGZJAOWARXEMM-HNNXBMFYSA-N 373.477 5.631 30 40 FKEB COc1ccc(OC)c(N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c1 4824880 FDRZNNDZOJMIDU-UHFFFAOYSA-N 355.478 5.304 30 40 FKEB CSc1nc(Nc2cc(C)cc(C)c2)c(C#N)c(-c2ccc(C)cc2)n1 5509621 IFPRLTZNDHSQOQ-UHFFFAOYSA-N 360.486 5.406 30 40 FKEB CC(=O)Nc1ccc(N/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 104731190 UYXZSFLUIKBBGD-NXVVXOECSA-N 356.425 5.121 30 40 FKEB COc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1 409243634 ZEXCMDUYIOYGIV-MTJSOVHGSA-N 370.246 5.777 30 40 FKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3O)ccc2o1 4142353 NNRCOTFLNRTPHM-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB C=C(C)Cn1c(SCCOc2cccc(C)c2C)nc2ccccc21 12062281 XGGNJAXVTQCTNL-UHFFFAOYSA-N 352.503 5.400 30 40 FKEB COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCc1ccccc1 33400193 WZPCYUUAKZAYOL-MOSHPQCFSA-N 356.421 5.097 30 40 FKEB CC/C(C)=N\Nc1nc2c(C(F)(F)F)cc(Br)cc2s1 57327439 ZIFPQDMXHNVKGM-FXBPXSCXSA-N 366.206 5.275 30 40 FKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(F)cc3)c(C)c2s1 72228607 WPFFPOZZJLOGJP-UHFFFAOYSA-N 370.453 5.112 30 40 FKEB COc1ccc(/C=N/CC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 100354428 AZUWZJZTPUVIBZ-IOCYEQIYSA-N 365.517 5.340 30 40 FKEB O=C1[C@H](Cc2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 100436138 YRGIXGZBFRNAQP-UTTYWZDOSA-N 358.466 5.065 30 40 FKEB O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1 408622959 QHOZGGSJQDXGQN-OBGWFSINSA-N 364.444 6.315 30 40 FKEB C=CCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 408705482 GUBVZGYOGDNLFB-UHFFFAOYSA-N 373.452 5.255 30 40 FKEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 408763528 PLKIZANCECVGFY-QRVIBDJDSA-N 366.848 5.285 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(N)=O)C1 792080 GWCPBGBMRHUHIY-HJQVIKLGSA-N 374.937 5.402 30 40 FKEB Cc1ccc(N2C(=O)c3ccc(/N=C/c4ccc(Cl)cc4)cc3C2=O)cc1 1058967 BLDOLSNXOICOEX-ZMOGYAJESA-N 374.827 5.200 30 40 FKEB CCCCCCCCCCS(=O)(=O)N/N=C/c1cccc2ccccc12 3077512 CCRBIENDABGSPK-RELWKKBWSA-N 374.550 5.234 30 40 FKEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 4175447 SMANKEIDOTYLQP-NCELDCMTSA-N 360.486 5.329 30 40 FKEB CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 4304301 WGXLLBAYEWGKCD-PKNBQFBNSA-N 365.816 5.455 30 40 FKEB Clc1ccc2c(N/N=C/c3ccc(Br)cc3)ccnc2c1 4532320 AIFWTMNQUGHJCM-KEBDBYFISA-N 360.642 5.097 30 40 FKEB Cc1cccc(C)c1NC(=S)NN=C(c1ccccc1)c1ccccc1 5656788 NYFLRWCRSAJWKO-UHFFFAOYSA-N 359.498 5.042 30 40 FKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 9576003 ANARXDBBAXHGBO-ODLFYWEKSA-N 368.841 5.597 30 40 FKEB COc1cccc(/C=N\Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1 33907889 XSUSDTIORYQEKS-IWIPYMOSSA-N 368.440 5.060 30 40 FKEB CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccco1 100013201 UVVOIUAPKXAFQB-VHEBQXMUSA-N 361.570 6.890 30 40 FKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H]1C[C@H]1c1ccccc1 1775976397 LVTUTQOQOSRUTD-RXVVDRJESA-N 365.436 5.582 30 40 FKEB COc1ccccc1[C@H](CC/N=C/c1ccccc1)[C@@H]1CCOC(C)(C)C1 4028076 MZKGKUVVRZXESK-NQBWJNMBSA-N 365.517 5.493 30 40 FKEB biogenic C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(C)c1 4355057 POEKQRNLPPQAMX-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB CC(C)(C)c1ccc(-c2nnc(SCC#N)n2C2CCCCC2)cc1 6212359 XUDKOVBVGIQELU-UHFFFAOYSA-N 354.523 5.363 30 40 FKEB C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1-c1ccncc1 7719502 OYGKBSGPYNXEDX-CYBMUJFWSA-N 356.882 5.033 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 8570908 FWNXQQUYQKMDMF-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Oc1ccccc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3s2)c1 16449076 ZMTSWVJBPCMIMD-WSDLNYQXSA-N 364.857 6.073 30 40 FKEB N#Cc1c(Cl)nc(Cl)c(Cl)c1NC12CC3CC(CC(C3)C1)C2 20358783 NTZGFGYEJLPQNK-UHFFFAOYSA-N 356.684 5.294 30 40 FKEB CCCCCCCCCCN(CCO)C(=O)Nc1cccc2ccccc12 100934507 FLNBMZGODGEVJR-UHFFFAOYSA-N 370.537 5.807 30 40 FKEB Cc1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)o1 118916289 FAXCDVZHMMFRAL-ICNYQTNGSA-N 366.545 6.583 30 40 FKEB biogenic COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1C 408906694 DGJWXXIRDGKLIM-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB Cc1ccccc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 408974220 DJZAQUXDCMNKBY-WPWMEQJKSA-N 362.432 6.544 30 40 FKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(C)c(C)c3)c2)c1 409209427 FLDZTNRZSDOFJE-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB N#C[C@@H](c1cccc([N+](=O)[O-])c1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1731807 GBEKEAOIGQOROL-YADHBBJMSA-N 370.408 5.259 30 40 FKEB CCCCC[C@@H](CN(C)C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N/O 17064709 NRHHMCVOSSAKLS-UAIGEQISSA-N 357.325 5.595 30 40 FKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c2ccccc12 226362448 OGWWARYEMTYQMG-ZRDIBKRKSA-N 372.811 5.780 30 40 FKEB Cc1cc(C)c2oc(-c3cccc(N=Cc4ccc([N+](=O)[O-])cc4)c3)nc2c1 254635151 XPZNVRBNSYVQSC-UHFFFAOYSA-N 371.396 5.770 30 40 FKEB FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc3ccccc3c2)c1 408938761 SEXVBBLNLXXNBL-YSMPRRRNSA-N 364.370 6.400 30 40 FKEB Cc1ccc(-c2c[nH]c(=N)c(C#N)c2-c2cccc(Cl)c2Cl)cc1 408985973 OGLZBXQNGMRHNR-UHFFFAOYSA-N 354.240 5.315 30 40 FKEB Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1C 409083331 VEWJOQAIANUEAU-CVKSISIWSA-N 359.513 6.227 30 40 FKEB C#CCOc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409119569 WYQYZWIGXXDVRW-UHFFFAOYSA-N 363.844 5.756 30 40 FKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccccc2Cl)c1 409209157 HJRUKFZEUFLMMO-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1Cl 409218918 YJEABYPWSFRGOJ-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3cccc4ccccc34)cc2)cc1 409232417 HJBBZANHBGUXLE-KOEQRZSOSA-N 353.490 7.050 30 40 FKEB O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nc2ccccc2s1 5605087 IBUGLWPXDXTUKZ-YVLLMWTCSA-N 358.532 6.054 30 40 FKEB CCOc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 5657124 GTLDESKZBSKGND-UHFFFAOYSA-N 369.251 5.993 30 40 FKEB Cc1cccc(/N=C2\S/C(=C/Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 6450561 AOGCWJUDRNZISN-AVJLYGTLSA-N 371.893 5.103 30 40 FKEB Cc1ccc(F)cc1N/N=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 7166813 BSIIPFLVTRFYLY-LFVJCYFKSA-N 370.840 5.251 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 7499533 OVBMXQBUKDQFOG-UHFFFAOYSA-N 360.482 5.961 30 40 FKEB Cc1c(Cl)cccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 12372478 QZMOOCJNJOALKT-ODLFYWEKSA-N 352.842 6.238 30 40 FKEB C#CCOc1ccc(CN[C@@H](C)c2cccc3ccccc23)cc1OCC 22787936 ZEFFLXVGSXUPKS-SFHVURJKSA-N 359.469 5.101 30 40 FKEB C=CCN(C(=O)c1cc(C)sc1C)c1nc(-c2ccccc2)cs1 23325501 MQIFWPOVSPULEC-UHFFFAOYSA-N 354.500 5.321 30 40 FKEB C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1Cl 33757123 MJRMYABQYPOCCE-WNFQYIGGSA-N 353.640 5.359 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 100216135 ZTTODHWEAVLHNY-MFKUBSTISA-N 374.484 5.638 30 40 FKEB COc1ccc(C)cc1/N=C\c1ccc(/C=N\c2cc(C)ccc2OC)cc1 104192177 VOFQSHZKHYFHRT-YXHOTNNGSA-N 372.468 5.822 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCSC(C)=O 104209255 WUIPVRXIJSQBPP-UHFFFAOYSA-N 372.683 6.824 30 40 FKEB Cc1c(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cccc1C(=O)O 408775902 SUCNMUKCQPPNGB-FSJBWODESA-N 366.848 5.505 30 40 FKEB O=C(COc1ccc(/C=N/c2ccccc2)cc1Cl)Nc1ccccc1 409212274 PHZPPPPFEBCRJG-OEAKJJBVSA-N 364.832 5.108 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1 584905926 OWHCXHQIYPMICR-UHFFFAOYSA-N 361.297 5.942 30 40 FKEB CC(C)[Si](C#Cc1c(F)ccc2cc(O)cc(O)c12)(C(C)C)C(C)C 2362804280 DETCTLSFNWSZRH-UHFFFAOYSA-N 358.529 5.960 30 40 FKEB CCc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3O)nc2c1 990005 ZWFLDUOEZJJQLJ-ZMOGYAJESA-N 372.424 5.527 30 40 FKEB O=C1/C(=C/c2cccs2)Oc2cc(OC/C=C/c3ccccc3)ccc21 9485620 JVXBERVMZHXFLR-DCLOOSSNSA-N 360.434 5.457 30 40 FKEB CC(C)c1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 26441618 ZZFBDCYXNRWMEL-UHFFFAOYSA-N 373.520 5.175 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCS 169806077 UUZRMDAVCVSBSB-UHFFFAOYSA-N 364.317 6.115 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C 223572577 VMXAPCYNDGCJAD-HZRSJKMUSA-N 350.506 5.866 30 40 FKEB C=CCOc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225332962 FPXOZYHGSVHCGH-UHFFFAOYSA-N 350.245 5.130 30 40 FKEB Cc1ccc(/C=C/C(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 408733328 XMAFAAMSSOPVII-MDWZMJQESA-N 367.492 6.028 30 40 FKEB O=C1C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)c2ccccc21 409392964 UMSLLTDHHFUHQU-UHFFFAOYSA-N 368.310 5.428 30 40 FKEB C=C1C=CC(C)(C)C[C@H](OC(=O)c2ccc(O)c(OC)c2)CC(C)=CCC1 1559556406 ORHIUFMZSVDUJM-LJQANCHMSA-N 370.489 5.585 30 40 FKEB Cc1cccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1O 4590110 HMZUNVSJISQFBA-FSJBWODESA-N 362.816 5.913 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)CCC2 4652646 AXKSBMGLQVUZKW-YDZHTSKRSA-N 367.905 5.788 30 40 FKEB O=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)c2ccccc21 4739634 BYRLVJAXQTYQBD-UHFFFAOYSA-N 363.416 5.152 30 40 FKEB CCOc1ccc(/N=C(/Nc2ccc(OCC)cc2)c2ccccc2)cc1 5584786 FLGXCBCJEFPRKL-UHFFFAOYSA-N 360.457 5.674 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(NCc3ccccc3Cl)o2)CC1 8869504 YASANOMBDOMHKI-UHFFFAOYSA-N 371.912 6.276 30 40 FKEB C/C(=N/Nc1ccccc1Br)c1ccc(-c2ccccc2)cc1 33387345 MZFGWAGPZVFDRW-JCMHNJIXSA-N 365.274 5.952 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)F 103526449 XUTVDVSIZZRSSN-UHFFFAOYSA-N 366.092 5.432 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc2ncccc2c1 145599590 DIIKFIIXHDUOCU-JVWAILMASA-N 367.496 6.516 30 40 FKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 213167624 MDCXIJYHLMRJTL-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1 408622915 QGOJOSQQVFFVNZ-FYWRMAATSA-N 358.437 5.560 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960253 KFWBEAXOEQVFTJ-BGHCKBSUSA-N 361.441 6.217 30 40 FKEB COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SC)n2)cc1 727252 UUQRLZXBELSHGP-UHFFFAOYSA-N 362.454 5.026 30 40 FKEB aggregator O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc(F)c2)c2ccccc21 3641119 ZFJCSQUWCBLTDM-QFIPXVFZSA-N 359.425 5.692 30 40 FKEB Clc1ccc2c(N/N=C/c3ccccc3Br)ccnc2c1 5931246 FEIPKKUNQNPRSR-KEBDBYFISA-N 360.642 5.097 30 40 FKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1 6314961 HSGVMFANQVDFAP-WSDLNYQXSA-N 363.852 5.070 30 40 FKEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc2c(c1)-c1ccccc1C2 6598228 MLUSUYMYEYUXKY-KPKJPENVSA-N 362.375 5.755 30 40 FKEB C/C(=N\Nc1ccc2ccccc2n1)c1ccc(N2CCCCCC2)cc1 7159515 KYJKWZMIDBEEAQ-XIEYBQDHSA-N 358.489 5.451 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(C)cc1Br 97941898 PRPBHNXSSCOXRP-UHFFFAOYSA-N 368.359 6.617 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)cccc1CC 101455731 NRWUJXQDZSIVSU-LNVKXUELSA-N 368.933 6.159 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1 408692820 WEAQOWYDWGRLAD-FOCLMDBBSA-N 365.476 6.203 30 40 FKEB COC(=O)c1c(C)[nH]c(/C=N/c2ccccc2Cl)c1-c1ccccc1 2257318 KNIHVOYWUXRMTA-WSDLNYQXSA-N 352.821 5.181 30 40 FKEB N#Cc1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCCC2 4932673 GVHVCTUDEVBWFU-UHFFFAOYSA-N 354.519 5.044 30 40 FKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(Oc2ccccc2)c1 5201259 XVRLBGRXXLIWOZ-HMMYKYKNSA-N 372.449 5.371 30 40 FKEB Cc1cccc(C)c1N/C(S)=N/Nc1ncc(C(F)(F)F)cc1Cl 8680909 XLOVQUILYISEHV-UHFFFAOYSA-N 374.819 5.095 30 40 FKEB C/C(=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 38204077 QSEOANNIPMCUCT-UKWGHVSLSA-N 357.719 5.103 30 40 FKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 59663906 GNFGREUDLRMICJ-HKOYGPOVSA-N 367.489 6.265 30 40 FKEB CCCCCCCCOc1ccc(/C=N/c2cccc3ccccc23)cc1 1832603 UMDYRRSCXSSLDI-LHLOQNFPSA-N 359.513 7.330 30 40 FKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 2454394 GJGGNMGMNFCZHA-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB Cc1ccc([C@H]2CC(=O)C=C(Nc3[nH]nc(C)c3-c3ccccc3)C2)cc1 4741650 KZCLLFGUXWHVHT-LJQANCHMSA-N 357.457 5.136 30 40 FKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 14091440 QWDMFPSPAWTONY-UHFFFAOYSA-N 355.894 5.001 30 40 FKEB N#CCOc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(O)c2n1 16406496 IULAVWKJVSUYSE-AATRIKPKSA-N 371.223 5.320 30 40 FKEB C[C@H](Nc1ccc(C#N)cn1)c1nc(-c2ccc(F)c(Cl)c2)cs1 154763189 RGBVUUPMGJXYDU-JTQLQIEISA-N 358.829 5.042 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(NC(C)=O)cc2)cc1OC 409389062 ZBAWKCQRHMZUBG-AEOXGOBCSA-N 374.868 5.235 30 40 FKEB CCOc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)cc1 1441060 NSXLDXHQXVWRCF-UHFFFAOYSA-N 366.420 5.132 30 40 FKEB Cc1ccc(-c2csc3ncnc(SCc4ccc(C#N)cc4)c23)cc1 2388197 XSRZLHNGCDMKNY-UHFFFAOYSA-N 373.506 5.831 30 40 FKEB C/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(-c2ccccc2)cc1 3299869 XGMALIVCDNTJTF-HUBBZMOGSA-N 369.493 5.296 30 40 FKEB O=C(O/N=C1/CCCC/C1=C\c1ccccc1)c1ccc(Cl)c(Cl)c1 5887943 YSTDIKUIUMSQMQ-NCJNOBNRSA-N 374.267 6.164 30 40 FKEB Fc1ccc(N/N=C/c2c3oc4ccccc4cc-3c3ccccc23)c(F)c1 7026818 WEAKIJXSXYCQAF-LGJNPRDNSA-N 372.374 6.415 30 40 FKEB O=C(/C=C/Nc1ccc(F)cc1Cl)c1ccc(Br)cc1 44843465 LZFFQAMABVZFTL-BQYQJAHWSA-N 354.606 5.050 30 40 FKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3c(O)ccc4ccccc34)S2)c(C)c1 59459413 NFYNOOIQFADKQP-NDENLUEZSA-N 374.465 5.054 30 40 FKEB COc1c(Cl)cc(Cl)cc1/C=N\c1sc2c(c1C#N)CCCC2 101206554 RYAXKGPLIDYASK-NKVSQWTQSA-N 365.285 5.565 30 40 FKEB CCCCCOc1ccc(N/C=C2\C[C@@H](C(C)(C)CC)CCC2=O)cc1 408564021 UQWIIUKONSCSBL-QZZNQRLBSA-N 357.538 6.357 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718248 FIZGJCFINHITEZ-HYARGMPZSA-N 370.368 5.062 30 40 FKEB C[C@@H]1CC(C)(C)Cc2c1sc(NC(=O)c1ccccc1Cl)c2C#N 3235884 MRHXPOJTSDCLRO-LLVKDONJSA-N 358.894 5.601 30 40 FKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2)cc1 4948701 VFXGMDMZFHYUPU-JOCHJYFZSA-N 369.468 5.054 30 40 FKEB COc1ccccc1O/C(=C/c1ccc(Cl)cc1)C(=O)c1ccccc1 5361929 ZAVSCVZLAUSJLR-RCCKNPSSSA-N 364.828 5.651 30 40 FKEB CC(C)Oc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9196801 SYWGFJOAPOUJHU-ZVBGSRNCSA-N 371.695 5.558 30 40 FKEB CCCCCCCCC(=O)NC(Cc1ccccc1)Cc1ccccc1 98042922 WFDNYEXWNHHXLK-UHFFFAOYSA-N 351.534 5.707 30 40 FKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(F)cc1 408782489 HMMFBQLLHTWMBY-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB CCOc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1 409024944 ZUXIRONRZKAAGV-BKUYFWCQSA-N 373.930 6.702 30 40 FKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409085056 RDIOUKHHZRMJGO-UMYHVIPVSA-N 355.507 5.180 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OC 409201653 NHMSPXPJGMSXPV-CIAFOILYSA-N 374.278 5.390 30 40 FKEB CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 712201 AWSDMAGTGSMEDG-RQZCQDPDSA-N 363.305 5.531 30 40 FKEB N#Cc1c(NC(=O)CCCSc2ccccc2)sc2c1CCCC2 2653934 OFFXVTGBVFKHAM-UHFFFAOYSA-N 356.516 5.010 30 40 FKEB Fc1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(F)c1 4925125 YSMGGIPYDDKVBD-AFUMVMLFSA-N 374.394 5.264 30 40 FKEB N#Cc1ccc(OC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 7979658 IHMLYCWCRGYWRK-UHFFFAOYSA-N 357.287 5.056 30 40 FKEB COc1ccc(/C=C2\Oc3cc(OCc4cccc(C)c4)ccc3C2=O)cc1 12374186 VOQBLRRLVDAJKJ-QRVIBDJDSA-N 372.420 5.199 30 40 FKEB biogenic CC/C(=N/NC(=S)Nc1ccc(C(C)C)cc1)c1cccc(Cl)c1 34853871 DXLBPDJYGHPZMW-PYCFMQQDSA-N 359.926 5.564 30 40 FKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 68569033 ZCBZCMLOLCLUND-YYADALCUSA-N 365.561 7.519 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccccc2Cl)cc1 101352085 MQQVWGMZUWNJNR-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 226321902 GJFCENVVYGSHBP-UHFFFAOYSA-N 371.647 5.569 30 40 FKEB Clc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718301 QXZASPIGQYICRN-OEAKJJBVSA-N 359.816 5.808 30 40 FKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1 408905846 FQTCJBLPSGDJHB-KLPPEWMLSA-N 366.486 5.098 30 40 FKEB CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 19820735 LQEYCOYCKDVOAN-RHSMWYFYSA-N 352.507 5.036 30 40 FKEB CCCCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21 50861319 TZYNWMKOKSQTNL-UHFFFAOYSA-N 362.561 7.158 30 40 FKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1 51318692 IYUPBBLZHRRWFX-MDZDMXLPSA-N 362.242 5.520 30 40 FKEB O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc(F)c(Cl)c1 58381579 UYZFSTOKWYEDOZ-FPYGCLRLSA-N 373.836 5.411 30 40 FKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 408775291 GHBJDFXLHJSKBR-ZMOGYAJESA-N 364.420 5.079 30 40 FKEB Cc1cc(Cl)ccc1/N=C/c1cc(Br)cc(Cl)c1O 1055806 WDAMOKRHEYGKQA-CNHKJKLMSA-N 359.050 5.521 30 40 FKEB C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 2177243 ZFTACNVVQVJEFE-QFIPXVFZSA-N 374.415 5.162 30 40 FKEB C=CCc1cc(C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12 2194632 AGFXYEJZNKTSAY-UHFFFAOYSA-N 368.436 5.832 30 40 FKEB CCSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 4124362 OEAIOVRNZHBOEN-UHFFFAOYSA-N 350.874 6.053 30 40 FKEB O=C(/C=C/c1cccc(Br)c1)c1cccc(Br)c1 5749693 JXGSLQSRRBHTMB-BQYQJAHWSA-N 366.052 5.108 30 40 FKEB COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(-n3cccc3)c12 12445382 FFGFDYGNIHRSQC-UHFFFAOYSA-N 359.454 5.081 30 40 FKEB CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C)c(C)c1 104181335 OUJCEQFUEWLSFM-UHFFFAOYSA-N 362.583 6.037 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225848812 CMBBWURBDFDKNU-VGOFRKELSA-N 374.525 5.440 30 40 FKEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1 225885392 AWKVWDIZVGPEMT-UHFFFAOYSA-N 367.452 5.553 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2SC)c1C 408855045 BYUKDCGPKZEOGE-BUVRLJJBSA-N 362.542 6.437 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 409186800 HZPZRNGODPDRCF-OEAKJJBVSA-N 352.865 5.897 30 40 FKEB CCCCCCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 2305656 GMFNVMYRTYSXIA-UHFFFAOYSA-N 366.918 5.739 30 40 FKEB COc1ccc2ccccc2c1/C=N/c1ccc(OC(F)F)c(Cl)c1 3233610 VMPNHKZYWDAUKW-FOKLQQMPSA-N 361.775 5.854 30 40 FKEB CC/C(Cc1ccccc1)=N\Nc1nc(-c2ccc(Cl)cc2)cs1 5385050 ZVFZZNQKYMYQSF-OQKWZONESA-N 355.894 5.884 30 40 FKEB N#Cc1c(/N=C(\Cc2cccs2)C(F)(F)F)sc2c1CCCC2 6996334 YGNQPUQFINJYRH-KGENOOAVSA-N 354.422 5.438 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2F)cc1 8278023 ZKGAASUSWHIJSK-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(O)ccc1[C@@H]2c1ccc(Cl)cc1 18199253 FIGRHSNFIWXENI-IBGZPJMESA-N 353.849 5.246 30 40 FKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 72229739 LERSATBJKFTGDQ-JJFYIABZSA-N 372.881 5.400 30 40 FKEB Clc1ccc(/N=C2\c3ccccc3CN2c2ccc(Cl)cc2)cc1 100400789 UDXLICZFPRSKOW-BSYVCWPDSA-N 353.252 6.092 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(F)ccc1C 408706864 GJOAGCNYWBFTQW-UHFFFAOYSA-N 364.505 5.110 30 40 FKEB C#CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1Cl 409115185 JDWVARRKVGHGGZ-UHFFFAOYSA-N 354.664 5.579 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)c(Cl)c3)c2C#N)C1 409211285 NIIBCHLDHZCUMS-DOQYOOLYSA-N 372.921 5.880 30 40 FKEB O=C(/C=C/C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 1086636 ZAEHIFFECNFNIP-CCEZHUSRSA-N 357.434 5.255 30 40 FKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 1463976 NZWKQJWHGYHOKR-UHFFFAOYSA-N 371.230 5.177 30 40 FKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 4074987 BDUZAOKMWOWWMI-QMHKHESXSA-N 372.493 5.728 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc4ncccc4c3)o2)cc1C(=O)O 4676625 FRJSPZZRXZBSQT-ZMOGYAJESA-N 356.381 5.252 30 40 FKEB O=C(/C=C/c1cccc(F)c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 79106319 DFGIMTIIAXERDU-BUHFOSPRSA-N 369.395 5.230 30 40 FKEB Cc1ccc(C(=O)/C=C/C2=C[C@H]([C@H]3CCCCCN3)c3ccccc32)cc1 98211562 AESHSURTBODTEF-QREDHFMISA-N 357.497 5.447 30 40 FKEB CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O 103727966 MUNNIYAZGQGMQR-UHFFFAOYSA-N 369.590 6.229 30 40 FKEB in-vitro CCCCCCCCCCC[C@H](CCCCCCC)c1ccc(C)cc1 104145402 OGAMHWGABJDLOK-VWLOTQADSA-N 358.654 9.360 30 40 FKEB C=CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216895730 NIOMQHYEICIYOH-VQHVLOKHSA-N 363.240 5.315 30 40 FKEB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751223 XFMKDWBPJOGAIF-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@H]12 253499644 BXEKJWVUCNPPSL-YVBSQPHASA-N 362.557 6.682 30 40 FKEB biogenic Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408737842 IDRKVEOORGZLGJ-WSDLNYQXSA-N 351.381 5.200 30 40 FKEB Cc1ccc(N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 409070387 FZIYEFINFVGSQJ-ZMOGYAJESA-N 368.839 5.813 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1C 409215086 ZUOJKLDSTCCUQU-ZVHZXABRSA-N 359.425 5.331 30 40 FKEB CCCCCCCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21 2250852 HQIDINNDVFQCIY-UHFFFAOYSA-N 374.532 6.490 30 40 FKEB N#Cc1nc(-c2cccc3ccccc23)oc1NCc1ccccc1Cl 2431190 BFRBIYVJHDZWPC-UHFFFAOYSA-N 359.816 5.632 30 40 FKEB COc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 2848923 WZTPJYJRDBJFDB-KOEQRZSOSA-N 353.421 6.391 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(F)cc1 4036856 OGQRMXILQWISSB-NRFANRHFSA-N 372.443 5.575 30 40 FKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O 5463459 MEOHARIPWYPLET-YDZHTSKRSA-N 374.396 5.021 30 40 FKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Cl)ccc1O 5530150 XPOPIFCUXPXHAC-FSJBWODESA-N 361.832 5.648 30 40 FKEB O=C1C[C@@H](c2cccs2)S/C(=N\c2ccccc2)N1c1ccccc1 10435155 YGUSTGSECNCEDV-OQLSDQBISA-N 364.495 5.647 30 40 FKEB COc1ccc(-c2nnc(SCCCC#N)n2[C@@H]2CCCC[C@@H]2C)cc1 12790552 REZYCMTVFQPXNU-MAUKXSAKSA-N 370.522 5.101 30 40 FKEB N#CCC[C@@H](C#N)CSc1ncnc2scc(-c3ccc(F)cc3)c12 12912612 XLPMCCOLPHOKSE-LBPRGKRZSA-N 368.462 5.033 30 40 FKEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 44087507 KWAYVEODRYCEOQ-UHFFFAOYSA-N 356.878 5.479 30 40 FKEB COc1ccc(/C=C/C(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 59503637 GKTTXHNNDHKQEI-SDNWHVSQSA-N 355.437 5.112 30 40 FKEB C#CCO[C@@H](C)n1ccc(CCCCCCCCC)c1-c1ccccc1 103009046 RAGIXSPNPGAXAK-NRFANRHFSA-N 351.534 6.617 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc([N+](=O)[O-])c1 254482415 NGWWHSQPOWINBO-UHFFFAOYSA-N 371.849 5.197 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=NO)[C@@]4(C)CC[C@@H]32)C1 254812605 OVKSHCIVDWZSJD-RFOVXIPZSA-N 371.521 5.267 30 40 FKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1cccc(Cl)c1 408761527 FOKICDLRFCVPRC-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB Clc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 408955498 XLIVQWHCDWCWGP-UUASQNMZSA-N 363.436 5.209 30 40 FKEB C=CCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409068096 FRKPYIGRHYQSAM-GHRIWEEISA-N 353.468 5.060 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 409246343 BIBOPHLHZAPZKC-KGENOOAVSA-N 363.442 5.500 30 40 FKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 677798 SBZOGBBZIOWZTK-XMMPIXPASA-N 355.437 5.522 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 799324 KPYNUHDVVORZMU-VIFPVBQESA-N 365.285 5.304 30 40 FKEB CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)OCCCC 100298162 TWYGFFMOKNIFGX-NHCUHLMSSA-N 372.590 5.533 30 40 FKEB CCCCCCCCCCCCCCCCCCSCCC(=O)O 100309660 CDBQZFAWRRUUIC-UHFFFAOYSA-N 358.632 7.456 30 40 FKEB CCCCCCCCNCc1cccc(OC)c1OCc1ccccc1 102562069 OVZGOCDBMDUWRZ-UHFFFAOYSA-N 355.522 5.724 30 40 FKEB C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 245267365 LJUUUIYYZQQBKY-BXYYLCOUSA-N 357.280 6.459 30 40 FKEB CCCCCCCCCCc1ccc(N=Cc2ccc(OC)cc2)cc1 299888717 UYINKNWUWRCDIN-UHFFFAOYSA-N 351.534 7.129 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408773024 ORADMQBUBAKFAZ-JZCUADNKSA-N 364.920 7.012 30 40 FKEB COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409092629 XKEYLLWRQQPELT-LJGKHRNASA-N 352.503 5.530 30 40 FKEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409105672 NVEVAJPCDDPWCY-MHWRWJLKSA-N 359.834 5.131 30 40 FKEB Cc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3ccccc3n2)cc1 679094 GCZILOVICFMMPT-UHFFFAOYSA-N 364.404 5.301 30 40 FKEB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)Sc2ccccc21 3068572 KDLKCJLCHKBCNE-YVLHZVERSA-N 373.260 6.583 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 3113226 MRZNGCMWXFMPFX-ZVHZXABRSA-N 370.408 5.340 30 40 FKEB C(=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2)\c1ccco1 3236491 WVZWLAZPOVLARS-CIAFOILYSA-N 364.495 6.247 30 40 FKEB Cc1c(/C=C/C(=O)c2ccc(Br)cc2)c2ccccc2n1C 4933833 DATMPUQEGSKQHP-VAWYXSNFSA-N 354.247 5.145 30 40 FKEB CC1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 5124094 YXQINXKZKRYRQM-LPFJTETCSA-N 374.528 5.285 30 40 FKEB O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 5675569 NPGQDHORGPOZSS-MLOFKKRKSA-N 350.643 5.085 30 40 FKEB CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5903520 GFUMSSJRHLVAMD-JLHYYAGUSA-N 364.514 5.448 30 40 FKEB O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1)c1cccnc1 95115651 AZKPRTLHOCNALA-SFQUDFHCSA-N 360.800 5.300 30 40 FKEB C/C(=N\Nc1ncccc1Cl)c1ccc2c(c1)Nc1ccccc1S2 96297987 SBAHWDMVJSQMGK-FSJBWODESA-N 366.877 5.779 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c(F)c1 408621279 LDXULGHAXHQZQV-UHFFFAOYSA-N 373.412 5.226 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2ccc(Sc3ccccc3)cc2)nc1 409065059 GYDNKKVHMOVHOW-WYMPLXKRSA-N 373.403 5.698 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCC2 4079563 OWHKMNBABFSJKU-ZHACJKMWSA-N 356.878 5.194 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C 6084236 HBJNHROHBMWODL-DXCKQFNASA-N 362.926 5.238 30 40 FKEB CCCCCCCCCCCC(=O)OC[C@@]1(C)COC(c2ccccc2)=N1 104326476 VTCZCBWNQMSXCP-QHCPKHFHSA-N 373.537 5.686 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1 408754203 IZVOZENKGXOYDM-ZVHZXABRSA-N 350.893 6.622 30 40 FKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408965358 KPYWDPWEFPMCSY-SJPXOZHESA-N 366.486 5.064 30 40 FKEB CCCCCCCCN(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 1671564 YYTIOGCYEJOABV-QHCPKHFHSA-N 373.968 6.236 30 40 FKEB COc1ccc([C@@H](C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1731815 RZCQICLSLHHLOK-XZOQPEGZSA-N 355.437 5.359 30 40 FKEB O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)Sc2ccccc21 3656391 OTKXJUAHFWTFQN-APSNUPSMSA-N 356.244 5.260 30 40 FKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 4922513 NQZSPYQEQBEQNM-QGMBQPNBSA-N 358.612 5.391 30 40 FKEB FC(F)Oc1ccc(N/C(S)=N\[C@@H]2CCSc3ccccc32)cc1 5225411 MJCLMWYJIAUXBJ-CQSZACIVSA-N 366.458 5.223 30 40 FKEB N#CCc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 8194606 RLXKOZOMHIABJG-HSZRJFAPSA-N 365.436 5.270 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 8570882 XXXBCBJZELUXNA-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CCCCCCCCC[C@](C)(O)C#C[C@](C)(O)CCCCCCCCC 30729234 SVJREAUWQPERAY-PSWAGMNNSA-N 366.630 6.773 30 40 FKEB biogenic,in-vitro C/C(=C\C(=O)c1ccccc1)Nc1ccc(Br)cc1Cl 32194169 KVUAXQXGGBNTIM-PKNBQFBNSA-N 350.643 5.301 30 40 FKEB N#C[C@@H](C(=O)c1cc2c(F)cccc2s1)c1nc2ccccc2s1 41504190 RGCOJSRTWACETJ-NSHDSACASA-N 352.415 5.140 30 40 FKEB O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(F)cc1 55129547 GMJNBAXPEJXKKJ-BUHFOSPRSA-N 361.460 5.408 30 40 FKEB CCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccccc1 101007961 DGRQAULORKBRKT-QURGRASLSA-N 372.593 7.724 30 40 FKEB c1ccc(/N=C(C(=N/c2ccccc2)\c2ccccn2)/c2cccnc2)cc1 104187806 WBLGQIWXZJULKS-JTFGNLGHSA-N 362.436 5.418 30 40 FKEB C=C(C)COc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 219784622 HUDWDDFVXOYADY-UHFFFAOYSA-N 357.453 5.161 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(OC)nc3)cc2[C@@H](C)CC1(C)C 223581128 JNIUSBPRSHIOHR-YOBACFSGSA-N 351.494 5.261 30 40 FKEB Cc1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)c(Br)c1 409103129 AWRVOCYDGWEEDV-MTJSOVHGSA-N 361.258 5.247 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(C)=O)cc2)cc1OC 409378570 QFVUABCLBBIVEE-AEOXGOBCSA-N 359.853 5.479 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Cl)c2)cc1OC 409386950 OXKQUXUBCIDYJC-OVMKCGGTSA-N 352.261 5.930 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)ccc21 833213 KFFZKMAZFPYZHN-OEAKJJBVSA-N 357.413 5.782 30 40 FKEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(Br)cc1 1084242 JAKBQHGTMCMKSH-SRZZPIQSSA-N 354.251 5.002 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 2738357 LOVGPIBSHZSJSA-ZDUSSCGKSA-N 370.493 5.552 30 40 FKEB N#Cc1ccc(F)c(CN2CCCC[C@H]2c2nc3ccccc3s2)c1 25436387 NDIHPNWAWFYZLT-SFHVURJKSA-N 351.450 5.034 30 40 FKEB Cc1ccc(-n2nc(C)c(/C=N/Nc3cccc4ccccc34)c2C)cc1C 408999467 LGSNFHXUMUDYNH-MFKUBSTISA-N 368.484 5.705 30 40 FKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C 409115350 IVEXICJNEXVQKP-UHFFFAOYSA-N 356.680 6.132 30 40 FKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 1066588 GJBAEMNMJYPDND-HSZRJFAPSA-N 367.492 6.349 30 40 FKEB CCc1c(C)sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1C#N 2737375 BASDOHGRWOVHBT-BQYQJAHWSA-N 365.285 5.449 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(C#N)cc4)cc3)sc2c1 2895147 AJAVNWNELXTIOY-ZVHZXABRSA-N 353.450 5.894 30 40 FKEB Clc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(Cl)c1 5681067 DETYIPPSHRGJQG-OEAKJJBVSA-N 353.252 5.865 30 40 FKEB CCCCCCCCCCCC[C@H]1OC(=O)c2c(OC)cc(OC)cc21 8399067 OADUPWXLPAKTBT-LJQANCHMSA-N 362.510 6.226 30 40 FKEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 9341986 ZESXCLPUBQVQGG-NDENLUEZSA-N 364.441 5.378 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C 56898787 SGFBLYBOTWZDDE-UHFFFAOYSA-N 370.642 6.497 30 40 FKEB in-man N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 229917411 NXAYIWVAGRXNFI-MDZRGWNJSA-N 371.267 5.722 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)c1 408759828 MLAPHPFFHVCJEG-FMCGGJTJSA-N 357.284 6.460 30 40 FKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1 408914904 ZPOMPEOBQSXOPX-CFRMEGHHSA-N 360.457 5.468 30 40 FKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939882 ITGCHMCIPMJGPQ-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB Clc1cccc(/N=C/c2cc(Br)c(Br)o2)c1 408949966 CUCBEQJOWOTNEU-GIDUJCDVSA-N 363.436 5.209 30 40 FKEB CCCCCCC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 1572424 SQTQTVBHUBEHGX-NTCAYCPXSA-N 356.893 6.472 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCC2 2763138 GWXGMICLMJDVOL-FNORWQNLSA-N 363.269 5.067 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 3090312 ARIAUNGHDMQYSV-SRZZPIQSSA-N 366.244 5.407 30 40 FKEB C/C(=N\Nc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 4603645 GRIBQBRLRJIKLI-PXLXIMEGSA-N 365.274 5.952 30 40 FKEB CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1 5906812 RAGQOATYBDFPQU-SAPNQHFASA-N 358.437 5.560 30 40 FKEB O=C(/C=C(\CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 16450686 YGKPBNUXWNUZNA-HMMYKYKNSA-N 371.392 5.134 30 40 FKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4ccc([N+](=O)[O-])cc4)c3)nc2c1 17950436 XPZNVRBNSYVQSC-YDZHTSKRSA-N 371.396 5.770 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(/C=C3\C=Cc4ccccc43)cc2)cc1 18176606 NQHDJIZJAGLCSP-VWLIMRMXSA-N 350.465 6.071 30 40 FKEB CCCCCC1CCC(c2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)CC1 95931433 PLXDLWUVPTUOTH-UHFFFAOYSA-N 373.515 6.951 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409049971 ZCSOEZCVCFOBNB-VXLYETTFSA-N 351.189 5.217 30 40 FKEB O=C(c1ccccc1)c1ccc2oc(-c3ccccc3)c3c2c1C(=O)C=C3 848878 MIBVRARNVWVQSM-UHFFFAOYSA-N 350.373 5.540 30 40 FKEB N#C[C@@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl 3851347 WTBPAUZQFSZOPC-ZDUSSCGKSA-N 372.280 5.590 30 40 FKEB biogenic COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Br)cc1 4739277 BITLJBXLSMYLLS-KGENOOAVSA-N 373.294 5.199 30 40 FKEB Cc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)o1 5156365 FKEAPKDBUFSJIA-JAIQZWGSSA-N 366.800 5.437 30 40 FKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 5649218 TVDFEWYLKFJOHF-QINSGFPZSA-N 359.381 5.070 30 40 FKEB C[C@@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1ccco1 6571189 PSGFVCYMCCFUKJ-OAHLLOKOSA-N 359.469 5.961 30 40 FKEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 22415394 UOOURZGLVFQPGC-UHFFFAOYSA-N 369.449 5.568 30 40 FKEB Cc1ccc(-c2nc3c(C)cccc3o2)cc1/N=C/c1cccc([N+](=O)[O-])c1 100507069 FTSRKUHYXOBTOT-YDZHTSKRSA-N 371.396 5.770 30 40 FKEB CCCCCCCCCCCCCCCCCc1cc(O)nc(O)n1 104382185 JNTJKDGPUWEYCX-UHFFFAOYSA-N 350.547 6.302 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 799325 KPYNUHDVVORZMU-SECBINFHSA-N 365.285 5.304 30 40 FKEB CCCCCCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 1794875 FASULARKKBMOHX-UHFFFAOYSA-N 352.566 6.530 30 40 FKEB biogenic Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3[C@@H]2CC=CCC2)cc1 4948842 MOKATNFSLUOWDM-VGOFRKELSA-N 373.500 5.362 30 40 FKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccc3ccccc3c2)cc1 5588201 MWYWDLKVVHGYBP-UHFFFAOYSA-N 350.465 6.647 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9576180 CCHFWWWUCJSBDE-WSVATBPTSA-N 361.224 5.565 30 40 FKEB CC(C)(C)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 15013271 KUYVWVYUJNKCLI-SFQUDFHCSA-N 354.450 5.015 30 40 FKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCCCC2)cc(C)c1Cl 1441607 AOAIHHHBYCAFLT-UHFFFAOYSA-N 365.864 5.483 30 40 FKEB C=CCSc1nc(Oc2ccccc2C)c2sc3ccccc3c2n1 4092650 IPBAMPUCNBCJDC-UHFFFAOYSA-N 364.495 6.223 30 40 FKEB COc1ccc(/C=C/C(=O)c2c(OC)cccc2OCc2ccccc2)cc1 4280582 GLBABBUTLSCQDL-DTQAZKPQSA-N 374.436 5.179 30 40 FKEB Cc1ccc(N/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl 4963262 NYJFICZEWYPYEY-OEAKJJBVSA-N 350.849 5.673 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)cc1 5005934 RSIBOWSCSSRNPL-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc(-c3ccccc3)ccc1C#N)C2=O 5393121 ASRKMGFOXOKHTE-DKZVUGQWSA-N 362.498 5.106 30 40 FKEB Cc1cccc(C(=O)/C=C\C2=C(N3CCCCCC3)Cc3ccccc32)c1 33374208 ZCAQEGDWUKAAOA-YPKPFQOOSA-N 357.497 5.577 30 40 FKEB Cc1cccc(/N=C/c2ccccc2OCc2cccc3ccccc23)c1C 409202995 UBJVFYVCSMESMW-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB C=CCc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12 1845548 AUIAOSSIYXGHAA-UHFFFAOYSA-N 354.409 5.523 30 40 FKEB Clc1ccccc1/C=C/C=N/c1ccc(-c2nc3ncccc3o2)cc1 2843208 PFIVOBBDBHEVAF-YLUZVKKLSA-N 359.816 5.959 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(F)cc2)c2ccccc21 3641122 QPFCNVJCLJZHHZ-JOCHJYFZSA-N 359.425 5.692 30 40 FKEB CCCCCCCCCCCCN1C(=O)OC2(CCCCC2)[C@]1(C)O 3666251 ORFRLALSMQRVCU-FQEVSTJZSA-N 353.547 5.771 30 40 FKEB C/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1ccc(Cl)s1 5020575 JYEMGTHDSLTXKX-GIJQJNRQSA-N 358.319 5.074 30 40 FKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(C)c(C)c1)C(=O)N3C(C)(C)C=C2C 16756297 BGFMNXFIFXNRIU-NJNXFGOHSA-N 374.484 5.365 30 40 FKEB Cn1c(=O)cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c2ccccc21 17889504 BPZZWHCUXJBSNQ-FNXKMIFFSA-N 366.424 5.705 30 40 FKEB c1ccc(/N=C(C(=N\c2ccccc2)\c2cccnc2)/c2ccccn2)cc1 18130428 WBLGQIWXZJULKS-YFMKTMAWSA-N 362.436 5.418 30 40 FKEB C(=N\Nc1nc2ccccc2s1)\c1ccc(OCc2ccccc2)cc1 32123361 KJUWNZFNIQHUBN-HMAPJEAMSA-N 359.454 5.321 30 40 FKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccccc3)c(C)c2s1 72228576 OIVZGISTLFSJHT-QRVIBDJDSA-N 366.490 5.363 30 40 FKEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\S/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100661910 HFXCDODISUHAAO-NBBBGDDDSA-N 358.547 5.538 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)C2=O 118916148 BXEKJWVUCNPPSL-VWNPMLSQSA-N 362.557 6.682 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 224886535 NYHRRQFEHNRSRJ-UHFFFAOYSA-N 353.365 5.116 30 40 FKEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)cc1Cl 409063131 HOWGZFXYDSSMSR-LPYMAVHISA-N 353.853 5.202 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 1020958 VXIHVRQCXPENBG-LPYMAVHISA-N 357.369 5.462 30 40 FKEB CCCCCCCCCCCC[n+]1ccc2c(c1)nnn2-c1ccccc1 1832057 ZLQOKXRIAGRTRH-UHFFFAOYSA-N 365.545 5.629 30 40 FKEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Cl)cc2Cl)c(Br)c1 4016923 BZGLIVDTVZDRRD-REZTVBANSA-N 374.021 5.415 30 40 FKEB N#C[C@H]1CCCC[C@H]1[C@]1(C#N)CCCC[C@@H]1Cc1nccc2ccccc12 5373786 XJWAPHCGDAHZIG-RKONGDRVSA-N 357.501 5.807 30 40 FKEB CCCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 6941622 HYPGUQXNMSMPIQ-LFVJCYFKSA-N 365.860 6.672 30 40 FKEB C=C(C)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 9422682 IOUBSPVGKSVDJK-UHFFFAOYSA-N 364.392 5.316 30 40 FKEB COc1ccc(-c2nnc(SCCCC#N)n2[C@H]2CCCC[C@H]2C)cc1 12790565 REZYCMTVFQPXNU-QAPCUYQASA-N 370.522 5.101 30 40 FKEB CCCCCCCCc1ccc(NC(=O)Oc2ccc(OC)cc2)cc1 68568960 DPWKWVGUCGKGSR-UHFFFAOYSA-N 355.478 6.209 30 40 FKEB biogenic CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Br)cc3)cc21 198149284 RDXCYNUFORAUNR-LPYMAVHISA-N 369.306 5.831 30 40 FKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 408738322 UXCJXAFOFGHSLB-WSDLNYQXSA-N 371.253 5.746 30 40 FKEB O=C1C=C(Nc2ccccc2Oc2ccccc2)C[C@H](c2ccccc2)C1 4619162 QQCHBWYAEFSFIG-IBGZPJMESA-N 355.437 5.921 30 40 FKEB O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccco1 5676942 HGTPNPSKXMRALS-UHFFFAOYSA-N 360.196 5.196 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 6970871 DLVCKHNISXTRPI-ZWOKBUDYSA-N 370.374 5.434 30 40 FKEB C/C(=N\OC(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1 12350516 LHZIYWLWDILKIM-XGJDRYDNSA-N 366.219 5.469 30 40 FKEB C/C(=N\c1ccc(-c2ccc(N)cc2)cc1)c1cc2ccccc2oc1=O 13406998 XOXVLERGGVXISD-MFKUBSTISA-N 354.409 5.183 30 40 FKEB C=CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 13717047 DRMAREAUJAVOMY-UHFFFAOYSA-N 357.453 5.412 30 40 FKEB CCCCCCCCCCCCCCCc1nnc(SCC(=O)O)[nH]1 82150495 VYKAKOWLDHDDHV-UHFFFAOYSA-N 369.575 5.615 30 40 FKEB CCCCCCCCCCc1ccc(O)c(/N=N/c2ccc(C)cc2)c1 100934680 AEFWCIYUZVPZIO-OCOZRVBESA-N 352.522 7.799 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 408588504 WQMOXSRSHFWLTQ-UHFFFAOYSA-N 359.897 6.332 30 40 FKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1C1CCCCC1 408741014 NNDCDGNWWRCDSK-ZVHZXABRSA-N 365.546 6.173 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)cc1 409186949 KBABOLCPNSWREL-JLPGSUDCSA-N 361.489 5.309 30 40 FKEB O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2 409202239 QQMLDSBUUAZUTH-UHFFFAOYSA-N 363.240 5.121 30 40 FKEB C=CCSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCCC3 2281484 VLCSAZAPOLXBHU-UHFFFAOYSA-N 369.559 5.739 30 40 FKEB CC(C)Oc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 6376689 IJGAEIDYHWKIGJ-LPYMAVHISA-N 361.470 5.683 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 8371829 FIHCCXQSMIXETE-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccsc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 19418924 OOVGLUUYLDUVNR-UHFFFAOYSA-N 369.530 5.030 30 40 FKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(/N=C/c2cccs2)cc1 39261878 GFXFSRBDJHFQTC-CPJITCITSA-N 362.410 5.303 30 40 FKEB CC(C)c1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1 59249340 VNMMUYJJJKIJGP-UDWIEESQSA-N 361.283 5.516 30 40 FKEB C#CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635325 RAGTXSHFYIPVND-UHFFFAOYSA-N 362.237 5.060 30 40 FKEB CCCCCCCOc1ccc(C(=O)N2C=Cc3ccccc3[C@@H]2C#N)cc1 100965331 NULHVPJQZXWBIO-QHCPKHFHSA-N 374.484 5.727 30 40 FKEB S=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 104311292 NZMXBTYRQWCQMS-JMALZQNKSA-N 373.506 5.985 30 40 FKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2)cc1 409108322 VZAQSJROLSMFDU-XIEYBQDHSA-N 372.468 5.375 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl 409213810 UPULGWDHXJZJTP-UFFVCSGVSA-N 354.664 6.271 30 40 FKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1cccs1 409354353 CWDWYESJLNDCAX-VAWYXSNFSA-N 355.846 6.002 30 40 FKEB CC(C)Oc1ccc(/C=N/Nc2nc3ccccc3s2)c(OC(C)C)c1 6376570 QYIWNUZDJBYVAR-CIAFOILYSA-N 369.490 5.317 30 40 FKEB O=C(/C=C\c1ccccc1)c1ccc2ccccc2c1OCc1ccccc1 33376556 POKLBKPZDGJDTP-SDXDJHTJSA-N 364.444 6.315 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 44844259 QEEZOKARQIAVAQ-BQYQJAHWSA-N 353.771 5.784 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(Cl)c(Cl)c3)c2C)c1 100116667 MOIUNXLDRPKRRE-WYMPLXKRSA-N 371.311 6.768 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 222089035 KRSLQXIHFKOJMX-UHFFFAOYSA-N 359.897 6.332 30 40 FKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 409213457 VNQOSRFXQKDFEL-MFKUBSTISA-N 359.469 5.950 30 40 FKEB C=C1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)CC2=C(C)CC[C@H]12 849537 FIVVYCVIXJNZET-IEBWSBKVSA-N 355.434 5.223 30 40 FKEB biogenic O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)Cc2ccccc21 3320188 OLEUEMKUBDJOST-RAXLEYEMSA-N 355.220 6.076 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 3366724 JNNJZCFEFWPFLT-UHFFFAOYSA-N 368.219 5.751 30 40 FKEB COc1cc(/N=N/c2ccc(C#N)cc2)ccc1N1Cc2ccccc2C1 4774670 NUINVVBKGWBJRR-OCOZRVBESA-N 354.413 5.502 30 40 FKEB O=C(/C=C/c1ccccc1Oc1c(F)c(F)nc(F)c1F)c1ccccc1 5024169 UDLQANYJUDJHSU-ZHACJKMWSA-N 373.305 5.326 30 40 FKEB C/C(=N\OCc1cccc(CO/N=C(\C)c2ccccc2)c1)c1ccccc1 7166999 VGKUOLWLSGVUJP-FQHZWJPGSA-N 372.468 5.568 30 40 FKEB CSc1cccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)c1 31773890 QZROHXYOACTYRD-UHFFFAOYSA-N 364.499 5.203 30 40 FKEB CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 59066585 JZWLIRVAYJRWLN-QFIPXVFZSA-N 370.618 7.254 30 40 FKEB biogenic,in-vitro C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681707 ZYHWHNDIVSRFMS-NSCUHMNNSA-N 360.113 5.301 30 40 FKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OCCCC 95740493 FEXXLIKDYGCVGJ-LEWJYISDSA-N 354.575 6.578 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(N2Cc3ccccc3C2)cc1 100457066 IAZNIRQENAJYPS-CVKSISIWSA-N 364.448 5.816 30 40 FKEB C[C@H]1CC(C)(C)N2C(=O)/C(=N\c3cccc(C(F)(F)F)c3)c3cccc1c32 101763916 IYLMRCDHXHHVKN-MGHKLXNESA-N 372.390 5.459 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cn1 223605611 GRGJAPCHFFKEQJ-GHRPQRKGSA-N 365.521 5.650 30 40 FKEB C[C@H]1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 245267366 LJUUUIYYZQQBKY-KZMPDLLWSA-N 357.280 6.459 30 40 FKEB CC(=O)c1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 408850325 LJNWBBSXWASLET-FYJGNVAPSA-N 367.246 5.193 30 40 FKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408910523 INWKDQDBBTZCFN-NFYBBCHUSA-N 350.487 5.316 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])o3)c2C#N)C1 409085188 YWRXIHJHSHNUAP-JZOCJUILSA-N 357.435 5.023 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1C 3114033 WFZCYOZIYXHHNH-YDZHTSKRSA-N 371.396 5.770 30 40 FKEB COc1ccccc1[C@@H](CC/N=C/c1ccccc1)[C@H]1CCOC(C)(C)C1 4028079 MZKGKUVVRZXESK-SQIHQLLESA-N 365.517 5.493 30 40 FKEB biogenic N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccccn1 4175260 SPWWMVLEPHDERM-UHFFFAOYSA-N 361.514 5.108 30 40 FKEB Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)c2)c(C)c1 4293444 VUQXUUDJVZWSMC-DPCVLPDWSA-N 368.524 7.038 30 40 FKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccc(C)cc1 4455755 KJZCYWZAIIMRQS-ATJXCDBQSA-N 363.530 5.885 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(F)c1F 9482238 XLXSHTUBGLCKPF-FQEVSTJZSA-N 354.400 5.187 30 40 FKEB [N-]=[N+]=Nc1ccc(/C=C2\CCC/C(=C\c3ccc(N=[N+]=[N-])cc3)C2=O)cc1 31319882 UZNOMHUYXSAUPB-UNZYHPAISA-N 356.389 6.790 30 40 FKEB Brc1cccc(/C=N/c2c3ccccc3nc3ccccc23)c1 101670321 KNCOSLVKNVQBPH-LPYMAVHISA-N 361.242 5.901 30 40 FKEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327035 UGFBHVKSXVZQTI-UHFFFAOYSA-N 371.647 5.569 30 40 FKEB N#Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226339534 BSNCJMPBBYSRAV-UHFFFAOYSA-N 372.649 5.706 30 40 FKEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCOCC2)cc1 409093875 BGVGKPPONNGUKW-HKOYGPOVSA-N 357.457 5.017 30 40 FKEB CN(C)c1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409251266 UJSDEUZQQWBVJH-WGOQTCKBSA-N 371.459 5.645 30 40 FKEB FC(F)(F)CNc1ccccc1OCCCC(F)(F)C(F)(F)F 1083811749 LFTCFPSBIKTEFM-UHFFFAOYSA-N 351.237 5.017 30 40 FKEB Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 996515 WYXHIXYPQJMLFB-AWEZNQCLSA-N 352.503 5.332 30 40 FKEB N#C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1 5025052 RFAHAFQVFJXSLB-HZHRSRAPSA-N 373.268 5.457 30 40 FKEB C/C(=N/Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccc(C)cc1 5032583 USSLEPQSXSGDPX-YUMHPJSZSA-N 370.431 5.580 30 40 FKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccccc1O 16347258 QQLHBEPCNPQWPR-FSJBWODESA-N 362.816 5.913 30 40 FKEB c1ccc(/N=C(C(=N\c2ccccc2)\c2ccccc2)/c2ccccc2)cc1 17160187 YBGSMMQIEMVNHB-ZQZMJUSDSA-N 360.460 6.628 30 40 FKEB CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 100003360 FXUZUGKUGSWLJI-IYBDPMFKSA-N 351.421 5.600 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NC[C@@H]1CCCO1 100282703 CDSRQMNVFUNOOJ-QFIPXVFZSA-N 367.618 6.543 30 40 FKEB Clc1cccc(Cl)c1/C=N/c1nc2c(s1)-c1ccccc1CC2 408721859 AQRDUMUYNPNPAM-UFFVCSGVSA-N 359.281 5.966 30 40 FKEB Cc1ccc(C(=O)/C=C/Sc2ncc(C(F)(F)F)cc2Cl)cc1 1041922 RTGDIBXWYLITMK-VOTSOKGWSA-N 357.784 5.551 30 40 FKEB CC(C)(C)c1ccc(/N=C/c2cccc(Br)c2)c([N+](=O)[O-])c1 4531853 YWBDOYJXCIWBRP-YBFXNURJSA-N 361.239 5.405 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1cccnc1 4832150 ZHOLUFRBRBBWDW-VULFUBBASA-N 373.847 5.181 30 40 FKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C(C)C)cc2)cc1 5900425 CNUYGCUMHZSLNA-FYJGNVAPSA-N 366.490 5.012 30 40 FKEB N#CCc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 13717132 LHAPIMMWNZQLEM-UHFFFAOYSA-N 357.438 5.587 30 40 FKEB CSc1nc(-c2ccccc2)c(C#N)c(N(Cc2ccccc2)C(C)C)n1 31773888 VNUZZSCVXUCASS-UHFFFAOYSA-N 374.513 5.152 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc[nH]1)C2=O 118913491 XQGICSGOYOKZIM-KGIFVFBBSA-N 351.534 6.010 30 40 FKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc2ncccc2c1 168939333 MBFNPQVFNYIAJI-AFUMVMLFSA-N 359.860 6.046 30 40 FKEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253505425 OEFVYGZGLIGBOP-XKZRPTGRSA-N 366.549 5.415 30 40 FKEB Cc1ccccc1/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542531 MAXNKZRETUPCFM-FMCGGJTJSA-N 358.397 5.040 30 40 FKEB Fc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c(F)c1 408603401 QNXIUXADJPVSTF-UFFVCSGVSA-N 355.369 5.281 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2)c1C 408966681 MYNAMDRMSFLFLK-BUVRLJJBSA-N 360.457 5.194 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)ccc3O)c2C#N)C1 409090146 LNTJIMDTQNFCJG-HJQVIKLGSA-N 372.921 5.880 30 40 FKEB N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 675860 TWEMFWJQISWHNS-UHFFFAOYSA-N 351.258 5.058 30 40 FKEB O=C(C/C=N/OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 5248576 WSTPFAANEKPIFI-AWQFTUOYSA-N 356.636 5.422 30 40 FKEB CCOc1cccc(/C=N/c2cc(-c3nc4ncccc4o3)ccc2C)c1O 5393502 HWXBTWWALLFYIQ-ZMOGYAJESA-N 373.412 5.053 30 40 FKEB CCCCC[C@@H](/C=N/Nc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 5783227 BITMRBQVPNOJGA-LITAXMHPSA-N 370.337 5.137 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OCC 6880699 LMGFIABPGDEOOS-HYARGMPZSA-N 361.869 5.677 30 40 FKEB Cc1sc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c(C#N)c1C 8072103 OEESVQJUEBTLQM-UHFFFAOYSA-N 370.518 5.330 30 40 FKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1 8362911 KYRQBSWFOZRQFC-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB Nc1nc(/C(=N\c2ccccc2)c2ccccc2)c(-c2ccccc2)s1 16491974 MVARZTNDHXRNMG-CLCOLTQESA-N 355.466 5.561 30 40 FKEB N#Cc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 22258143 YQEKCWZUQMDJGC-UHFFFAOYSA-N 362.816 5.043 30 40 FKEB CCCCN(CCCC)[C@]1(c2ccccc2)OC(c2ccccc2)=CC1=O 31772957 QPWLRILOMZGPPY-XMMPIXPASA-N 363.501 5.382 30 40 FKEB C=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OCC)c1O 59678901 KPVUPDPUDOWJLS-KOEQRZSOSA-N 363.501 6.318 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C#N)C1 102615280 YNILPZPGEHGBTC-JKQORVJESA-N 370.562 5.536 30 40 FKEB Cc1nc([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 118931913 CQEOHXNSIOVPBX-ACXQXYJUSA-N 353.506 5.599 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1 225762009 SVWGHSOJRFDPTN-FQEVSTJZSA-N 354.519 5.244 30 40 FKEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 408739608 CYRHKYCNBAWWAM-OYKKKHCWSA-N 360.457 5.248 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408767380 WIWVSSHYEGXTOO-FSJBWODESA-N 357.284 6.460 30 40 FKEB Cc1cc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1F 408960295 KVJSBQGDRMDCMZ-ZMOGYAJESA-N 363.388 5.162 30 40 FKEB COC(=O)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl 409009599 GSDKPDWUORMXHI-SSDVNMTOSA-N 357.768 5.276 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)cc1 409187479 QZFYQBLDEVMAMS-QRVIBDJDSA-N 368.864 5.602 30 40 FKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@H](C)OC(C)=O 4023649 FCPHMAOZUSIKSS-XUHWPYGDSA-N 374.609 7.244 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccccc1F 5376944 JCVGFZPAPILKGZ-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB Clc1cc(Cl)c(N/N=C/c2c(Cl)cccc2Cl)c(Cl)c1 5567311 FEIPKGINHHCESA-KPSZGOFPSA-N 368.478 6.400 30 40 FKEB Cc1ccccc1C(=O)O/N=C(\c1ccccc1)c1cc2ccccc2o1 5620244 GDXIBCZEHDAROO-ZNTNEXAZSA-N 355.393 5.351 30 40 FKEB N#CCc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 8194604 RLXKOZOMHIABJG-QHCPKHFHSA-N 365.436 5.270 30 40 FKEB COc1cc(C#N)cc(Br)c1OCc1cccc2ccccc12 11833816 JQABANUWFCDKJU-UHFFFAOYSA-N 368.230 5.062 30 40 FKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(F)c(Br)c1 15545008 VVCVJXFIGWIXAD-QPJJXVBHSA-N 373.143 5.503 30 40 FKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1 408916357 WOVSARJTKYDWHA-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3cccc(C(=O)O)c3C)cc2)cc1 409241800 YRUXNHRXASLNSR-OEAKJJBVSA-N 361.466 5.903 30 40 FKEB CCCCCCCCSc1nnc(-c2ccc(Br)cc2)o1 2061132 SGUZIAHUMARUTC-UHFFFAOYSA-N 369.328 5.952 30 40 FKEB CCCCCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 3204835 YPZMMQSMMULAAN-UHFFFAOYSA-N 358.522 5.890 30 40 FKEB C#CCn1c(SCc2ccc(F)cc2)nc(CC(C)C)c1CC(C)C 4024034 XVFVUXXZFKCDJP-UHFFFAOYSA-N 358.526 5.345 30 40 FKEB C=CCCCCCCCCC(=O)O[C@@H](CC=C)c1ccc2c(c1)OCO2 4682993 KXXBORXYWJRZAX-IBGZPJMESA-N 358.478 5.883 30 40 FKEB Fc1c(F)c(F)c(N/N=C/c2cccc(Cl)c2Cl)c(F)c1F 5567440 GPZQJZXIINZFSW-IPBDZQFASA-N 355.093 5.135 30 40 FKEB Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)c3ccccc23)cc1 12249746 SBAKCYJMUOTWLL-UHFFFAOYSA-N 367.477 5.769 30 40 FKEB C=C[C@H](O)c1ccc2ccccc2c1-c1c([C@@H](O)C=C)ccc2ccccc12 34808715 OXTCAIAYEXTSKB-ZEQRLZLVSA-N 366.460 6.099 30 40 FKEB CCCCCCCCCCOc1ccc(O)c(C(=O)c2ccccc2)c1 100925999 FLMPDJLZFMMWIM-UHFFFAOYSA-N 354.490 6.143 30 40 FKEB FC(F)(F)c1ccc(/N=C/c2ccc(OC3CSC3)cc2)cc1Cl 101627736 VTUHYPQTWNJKEJ-GZIVZEMBSA-N 371.811 5.604 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 225495308 MOMYWTGTYHUHGE-FQEVSTJZSA-N 354.519 5.325 30 40 FKEB O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 408624727 VWKJPXNRPDPXNQ-SDNWHVSQSA-N 359.381 5.070 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OCC 409118251 OOSTXMWKYFIJDQ-UHFFFAOYSA-N 361.869 5.314 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1Cl 1093413 CGKLGYIXVVWNPV-REZTVBANSA-N 374.021 5.415 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(C#N)c1C 1093488 LLAPVBQKIRMXRL-UFFVCSGVSA-N 369.218 5.541 30 40 FKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2430065 ONPIGQTVAAFPBG-HSZRJFAPSA-N 355.462 5.862 30 40 FKEB Cc1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C#N)c1C 2739748 PMQSZRQRTGPYSY-UHFFFAOYSA-N 360.482 5.397 30 40 FKEB N#Cc1ccc(C[C@H](C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 3327252 GFJOTFMZUIUURN-LJQANCHMSA-N 368.461 5.377 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1c(C)cccc1C 4836883 LDVYJXMIUIUPKT-WYMLVPIESA-N 372.464 5.787 30 40 FKEB CCc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 6341787 ACQYWZYRRJJCRG-SILNSSARSA-N 369.489 6.282 30 40 FKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H]1CO1 100299973 MPHZZARYNGUYDH-ZCNNSNEGSA-N 354.531 5.177 30 40 FKEB CCCCCCCOc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 100305035 UKUUVSRILHKZFQ-UHFFFAOYSA-N 354.446 5.192 30 40 FKEB COc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 408732991 CJQBTIIMBXCGIO-AFUMVMLFSA-N 356.469 5.583 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C#N)C1 409079042 KITJULZJDCPICV-VSRRSJTHSA-N 361.514 6.003 30 40 FKEB CCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1772493039 RACRSWIMRBVETP-XLYFVYOPSA-N 370.533 5.396 30 40 FKEB COc1cccc(/C=N/c2ccc3c(c2)ncn3-c2ccc(C)cc2)c1OC 860971 WYZDGZHMLHHRDO-ZVHZXABRSA-N 371.440 5.102 30 40 FKEB CC(C)Sc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 4124396 LSGPHPUBZUECGY-UHFFFAOYSA-N 364.901 6.441 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OCC 6962289 HMAXUSLAZYZVGK-HYARGMPZSA-N 359.853 5.453 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1F 8368713 ORJFOGIZDCOWHP-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C#N 225678771 MJGMKSGSYFPUQI-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 408586599 OCNJVQADMLYWEX-UHFFFAOYSA-N 355.478 5.687 30 40 FKEB COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3Cl)sc1CC2 408723070 QBDXLZBEJLOOIH-SRZZPIQSSA-N 354.862 5.321 30 40 FKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408773339 QQDNXPXYBBZGMR-MTJSOVHGSA-N 353.809 5.406 30 40 FKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(C(C)C)cc2)c1C 408909630 HUMASSFPSOCCFP-AFUMVMLFSA-N 374.484 5.975 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 409222238 WGXVOVZCUNQUDL-QRVIBDJDSA-N 372.320 7.204 30 40 FKEB C(=N/CCc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 1763845 SUWFGTKVPBUUKK-XQNSMLJCSA-N 357.482 5.262 30 40 FKEB Cc1ccc(C(=O)ON=C(/C=C/c2ccccc2)/C=C/c2ccccc2)cc1 3028281 YEKRYLJMWPUKCG-JSAVKQRWSA-N 367.448 5.935 30 40 FKEB COc1ccc([C@H]2C=C(c3ccccc3)S[C@@]3(S)CCCC[C@H]23)cc1 3893923 XBNFAXGTIQLGTL-SJBKTWHCSA-N 368.567 6.383 30 40 FKEB N#Cc1ccccc1COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 7783002 HTFDJPHBTQIPQY-XDHOZWIPSA-N 363.413 5.043 30 40 FKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 8084533 SNRHYOGVFXBZSP-AFUMVMLFSA-N 367.851 6.371 30 40 FKEB O=C1C[C@H](c2cccs2)S/C(=N\c2ccccc2)N1c1ccccc1 10435154 YGUSTGSECNCEDV-HMDOMZECSA-N 364.495 5.647 30 40 FKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 20509904 IRSSRBJGHBHGMI-MWTRTKDXSA-N 356.425 5.259 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1 225765972 NBHRQFLIHLPQTJ-OAQYLSRUSA-N 368.546 5.552 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C#N)c1C 1098520 OYRPQDRAIFQUMI-YSURURNPSA-N 358.319 5.798 30 40 FKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)ccc3O)ccc2o1 1435022 XXLZCPAUAYJEHU-FSJBWODESA-N 362.816 5.913 30 40 FKEB Cc1ccc(CSc2nncn2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1780641 FPUDJZHYUKTRFS-YDZHTSKRSA-N 364.518 5.059 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N\N=C1c2ccccc2-c2ccccc21 5031742 UNJYHZMXRMJLJA-KSEXSDGBSA-N 367.235 5.551 30 40 FKEB C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 5826482 MZKXTJQQWVFFST-ULJHMMPZSA-N 363.892 5.039 30 40 FKEB N#Cc1c(/N=C\c2cccs2)sc(-c2ccccc2)c1-c1ccccc1 16675994 QELVXJVSYDVOKV-IWIPYMOSSA-N 370.502 6.766 30 40 FKEB COc1ccc2nc(N/C(=N/c3ccc(C)cc3)c3ccccc3)sc2c1 19958624 QTYLFTDNWGYQCL-UHFFFAOYSA-N 373.481 5.804 30 40 FKEB Cc1cccc(/C=N/c2cccc3c(/N=C/c4cccc(C)c4)cccc23)c1 2854295 IIEGRIKXPUNEKR-XUIWWLCJSA-N 362.476 6.958 30 40 FKEB CCOc1cc(/C=C2\S/C(=N/c3ccc(C)cc3C)N=C2O)ccc1O 6464475 NYJLOUXHJJUXIS-WQRHYEAKSA-N 368.458 5.140 30 40 FKEB CCCCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c21 96021540 NGFBKERTFNWMMK-UHFFFAOYSA-N 360.505 5.391 30 40 FKEB CCCC[C@H](CC)COC(OC[C@@H](CC)CCCC)C(=O)/C=C\C(C)C 104347309 XAVZCHZOMKLYST-DCXOKYQQSA-N 368.602 6.560 30 40 FKEB COc1ccc(C(=O)/C=C/Nc2ccc(N=Nc3ccccc3)cc2)cc1 260840548 BRGSSWUORSDFSG-VKHQMHHLSA-N 357.413 5.919 30 40 FKEB CSc1ccccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408767464 XZZJPZHTMPGVHK-LPYMAVHISA-N 354.906 6.220 30 40 FKEB C=CCc1ccc(Oc2ncnc3sc4c(c23)CC[C@@H](C)C4)c(OC)c1 719359 COLWAGYVUHJKBW-CYBMUJFWSA-N 366.486 5.346 30 40 FKEB ClC(Cl)(Cl)C(=NNc1ccccc1)C(Cl)(Cl)Cl 1610955 FEXHZISXQMVIHR-UHFFFAOYSA-N 354.879 5.195 30 40 FKEB Oc1ccc2ccccc2c1/C=N/N(Cc1ccccc1)c1ccccc1 4920147 NHQRWPTYSVPDNO-KOEQRZSOSA-N 352.437 5.586 30 40 FKEB C[C@@H]1CCc2c(C(=O)N3CCCS/C3=N\c3ccccc3)csc2C1 12551493 DNOWJQRVCFHQPS-JTKIUVGSSA-N 370.543 5.140 30 40 FKEB CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 17167398 AOLQCHMPTZPIDA-DNLCFCFBSA-N 361.470 5.182 30 40 FKEB CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 21225581 QQBFAVBJOBJSKG-QFIPXVFZSA-N 362.473 5.307 30 40 FKEB biogenic,in-vitro O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 59837357 GCDJASCVPVVROI-UHFFFAOYSA-N 369.211 5.255 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)sc2c1 100054440 CVKFELQELFDALL-BUVRLJJBSA-N 371.509 6.088 30 40 FKEB Cc1ccc(Cl)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471818 HSTPKEGPSCALMS-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(F)cc1 102594420 OJFWDIKOVHWXRD-XTCLZLMSSA-N 372.447 5.315 30 40 FKEB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C#N 225846437 CPFXRWPARNOVLG-OAQYLSRUSA-N 360.498 5.051 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3Cl)cc1)C2 408734579 YMMFKCZBQSUFBS-DHRITJCHSA-N 360.888 6.228 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408765197 ZYVZWCAMUVUWDD-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB Brc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 2816567 WLRKFMNGSQVVOF-HYARGMPZSA-N 366.258 5.779 30 40 FKEB CCCCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 12131078 XJRWRXDKZROALK-KGENOOAVSA-N 351.475 5.435 30 40 FKEB C=C(C)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 37866221 YJMHURPCWDYBKB-UHFFFAOYSA-N 372.493 5.964 30 40 FKEB CCCCCCCc1c([N+](=O)[O-])cc(-c2ccc(C#N)cc2)cc1[N+](=O)[O-] 101465017 YPGPEXZNSCAKAA-UHFFFAOYSA-N 367.405 5.555 30 40 FKEB Cc1oc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(C#N)c1C 408953768 MOWWVRDNLRSAMK-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB N#Cc1c(/N=C/c2ccc3c(c2)OCO3)oc(-c2ccco2)c1-c1ccco1 409375730 OMPOJQNHJHAUAT-FOKLQQMPSA-N 372.336 5.151 30 40 FKEB C=C1C(Cl)=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1 2447628 RDSNILCNQBWVDJ-IBGZPJMESA-N 350.870 6.436 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(c1)oc1ccccc12 2771251 HHSVVEYEQLTTRY-LSHDLFTRSA-N 356.208 6.349 30 40 FKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3)cc1)N2 4181636 QLXPYLKCHCENEO-KDPOWEEASA-N 364.492 6.572 30 40 FKEB C=CCN(C(=O)c1ccc(OCC)cc1)c1nc(-c2ccccc2)cs1 14168947 IDUKDKYXNHQLAL-UHFFFAOYSA-N 364.470 5.042 30 40 FKEB CCCCC[C@@H](/C=N\Nc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 17249171 BITMRBQVPNOJGA-QNEYSMKTSA-N 370.337 5.137 30 40 FKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 20672621 HTKHCKCFVRXUSI-GOSISDBHSA-N 372.255 5.221 30 40 FKEB Cc1cc(Cl)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471594 UIZOCCAJUQRZSV-UHFFFAOYSA-N 372.614 5.299 30 40 FKEB O=[N+]([O-])C(/N=N\c1ccc2ccccc2c1)=N\Nc1ccc2ccccc2c1 104111179 IQBINNRCPKWRDH-TZMMARSASA-N 369.384 5.737 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C)c(Cl)c2)c1C 408968852 ZRYVSRXFZOGLRH-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB Cc1ccc(SCCCCC2=C(O)C(=O)c3ccccc3C2=O)cc1 4633022 VVZIVIRFEXJLOT-UHFFFAOYSA-N 352.455 5.149 30 40 FKEB FC(F)(F)c1ccc(Cl)c(NN=C2CCC(c3ccccc3)CC2)c1 4924693 VQSQBWJWJUQGEA-UHFFFAOYSA-N 366.814 6.485 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/C=C/c1ccco1 5376755 CCHOLRRRZCESBC-GSPDUGTFSA-N 365.241 5.034 30 40 FKEB O=C(C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Cl)c(Cl)c1 6928199 OJVWFKHBXHTDIL-UHFFFAOYSA-N 358.268 5.239 30 40 FKEB C=CCc1cccc2cc(C(=O)Nc3c(Cl)cccc3Cl)c(=O)oc12 95471138 VCOJPSNUJNLHHR-UHFFFAOYSA-N 374.223 5.081 30 40 FKEB Cc1ccc(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)cc1Cl 100862350 IUCDOJVWQSZKIO-FLIBITNWSA-N 373.783 5.020 30 40 FKEB CCCCCCCCCCCCCCCCCCc1ccc(O)c(O)c1 101461810 PCLRIVGOWSVQBC-UHFFFAOYSA-N 362.598 7.902 30 40 FKEB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N 225755850 FRAWIDYLJTWUSK-UHFFFAOYSA-N 362.473 5.188 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225848830 CMBBWURBDFDKNU-VGSWGCGISA-N 374.525 5.440 30 40 FKEB Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1C 409016413 SMGJNIIQONBVLJ-CIAFOILYSA-N 357.931 6.920 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)cc1OC 409383680 ZPRIAXRAQLSGFO-WMJRALALSA-N 370.251 6.069 30 40 FKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3cccs3)c(-c3ccccc3)c2c1 4148536 RFTVLHFEPBYWBO-ZRDIBKRKSA-N 371.461 5.461 30 40 FKEB CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1OCC 4673274 PLCKCDOGAGZTOW-FYJGNVAPSA-N 367.474 5.054 30 40 FKEB Cc1cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c(O)c([N+](=O)[O-])c1 6235804 IJUAZLBIFIXGFB-CIAFOILYSA-N 373.840 5.003 30 40 FKEB CCCCOc1ccccc1/C=N/N=c1/[nH]c(-c2ccc(C)cc2)cs1 11992230 SEJFORKKOJIGMS-HYARGMPZSA-N 365.502 5.165 30 40 FKEB COc1c(Cl)cc(Cl)cc1[C@@H](C#N)N1N=C(C)C[C@@H]1c1ccccc1 13838776 MXIJKSTURHMVDS-QZTJIDSGSA-N 374.271 5.390 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N\Nc1nc2ccccc2s1 38190296 ZSMQXOOEEVDDDQ-HMAPJEAMSA-N 361.470 5.684 30 40 FKEB CCCCCCCCCC(=O)Oc1c[nH]c2ccc(Br)cc12 76945106 MSQDUIOYSURQKS-UHFFFAOYSA-N 366.299 5.977 30 40 FKEB in-vitro CCOc1ccc(-c2cs/c(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)[nH]2)cc1 102302934 RSXRHTIMHWWGGB-LVFCZUOLSA-N 369.534 5.245 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 118918405 OVKSHCIVDWZSJD-XWWMYZJCSA-N 371.521 5.267 30 40 FKEB Cc1nc([C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)co1 118931911 CQEOHXNSIOVPBX-WAUHAFJUSA-N 353.506 5.599 30 40 FKEB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1C#N 225848749 SHUXGODTOKMGGF-QFIPXVFZSA-N 374.525 5.441 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 260562937 DAARFMCBZDFQDC-CIKLGQITSA-N 356.897 5.821 30 40 FKEB Clc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 408859812 ZKIDWNQEKHMTKG-NDENLUEZSA-N 359.654 5.644 30 40 FKEB CCCN1C(=O)/C(=C/C=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 409081536 PVZRVDBYDSVCNE-UGAKATRNSA-N 372.877 5.503 30 40 FKEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc12 409108389 XHDZBAUMYFDQBL-BHGWPJFGSA-N 359.351 5.098 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1 409219015 ZPJPUTSXHYHLRE-ONUIUJJFSA-N 351.449 6.478 30 40 FKEB c1ccc2c(c1)C(=NOc1nc3ccccc3c3ccccc13)c1ccccc1-2 1579009 AHVRDEUIMUVVAB-UHFFFAOYSA-N 372.427 6.200 30 40 FKEB CC(C)(C)/N=C(Nc1ccccc1)/C(=N\c1ccccc1)NC(C)(C)C 2123101 MGSYLPLZXWIMQE-UHFFFAOYSA-N 350.510 5.414 30 40 FKEB CN(C)c1ccc(/C=C\C=N/N=C2c3ccccc3-c3ccccc32)cc1 16921099 KBBXQLBCPISXLD-FXZQEFSOSA-N 351.453 5.270 30 40 FKEB S=C(N/N=C\c1c2ccccc2cc2ccccc12)Nc1ccccc1 25693435 IOXANBGTOKHNTB-HAHDFKILSA-N 355.466 5.314 30 40 FKEB CC(C)(C)c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O 36478566 WBCVEKDANBNKTL-XKZIYDEJSA-N 369.465 5.341 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OCC 409181567 CPZZXRJAGWXWBL-UHFFFAOYSA-N 350.245 5.016 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\c3cc(C(=O)O)ccc3C)cc2)cc1 409242315 WTXFUWFNWCVWJX-UCQKPKSFSA-N 361.466 5.903 30 40 FKEB Cc1ccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 409390815 FTCYVFBMHKDYLE-UHFFFAOYSA-N 354.405 5.037 30 40 FKEB Cc1ccc2c(c1)/C(=N/OC(=O)c1cccc(C(F)(F)F)c1)CCS2 1396251 DAZNFMFOKTWUCJ-PXLXIMEGSA-N 365.376 5.071 30 40 FKEB Oc1ccc(/N=N\c2nonc2-c2ccccc2)cc1/C=N/c1ccccc1 15134023 GUWQIBFZRPWQSF-DPWROJBVSA-N 369.384 5.608 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)cc1 51318792 RBTMAAJCABHNKQ-WUKNDPDISA-N 359.425 5.686 30 40 FKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)o1 83326103 WXMUKUJNLSQIDJ-IECUCWQJSA-N 366.486 5.525 30 40 FKEB Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(Oc2ccccc2F)c(F)c1 84008597 PKXVQELXKKPWQS-CSKARUKUSA-N 368.383 5.004 30 40 FKEB Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223618297 ZRMIBCAKROHFBH-MQKZQLNTSA-N 368.952 6.900 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(N2CCCC2)o1 408851252 WVAHMBQNVPCCMC-VXLYETTFSA-N 367.674 5.355 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(F)c(Cl)c1 408915598 YHRHQDLTLWUQHT-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)cc1Cl 575361560 QWUBFTHFZIJBRL-UHFFFAOYSA-N 373.051 5.018 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccc([N+](=O)[O-])cc1 677605 KYFRHKGBIUXBGP-QHCPKHFHSA-N 370.408 5.421 30 40 FKEB Brc1ccc2[nH]c3c(c2c1)CCC/C3=N\Cc1ccccc1 978669 CBHJUHHWUPWONZ-DYTRJAOYSA-N 353.263 5.256 30 40 FKEB Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 1711992 RPYNQNRJOLZBBC-MOPGFXCFSA-N 364.894 5.080 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3)oc2c1 3184471 FSHRWVSFIGXWKD-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB CC(C)(C)O/N=C\c1cc(NC(=S)c2ccsc2)ccc1Cl 5957657 JPZLUFUAACOGIT-NVMNQCDNSA-N 352.912 5.338 30 40 FKEB CCCCC[C@@H](C[N+](C)(C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17021110 SXOVUBFTUPYCEW-DMIOIOJGSA-N 357.345 5.478 30 40 FKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(C)c2O)cc1OC 32115269 RQNIVSJIHPSURO-WSDLNYQXSA-N 374.868 5.242 30 40 FKEB CC[C@H](C(=O)/C=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 36610870 MDGSZSJIRYOQHA-LZBQDUPOSA-N 356.506 5.299 30 40 FKEB CC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccc(C(C)C)cc1 102402137 MYIOROJMYCPPPR-NRFANRHFSA-N 357.453 5.542 30 40 FKEB CCCCCCCCCCCCCCCCC/C=N\N1CCCCCC1 104061736 UHHPNHODBXONAD-LVWGJNHUSA-N 364.662 8.110 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)OCC 104192894 BNYQWPMFYZPXQZ-QXMHVHEDSA-N 368.558 6.130 30 40 FKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl 408738131 PHHKLYPOKFSXJM-FSJBWODESA-N 356.828 5.646 30 40 FKEB COc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409095813 IJSWWHAGZGHTAJ-HYARGMPZSA-N 353.874 6.250 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1 409151613 CNSFUHBZXUCWMC-GJYPPUQNSA-N 370.374 5.434 30 40 FKEB N#C[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 1401083 OGKLAWKZWKZAMJ-INIZCTEOSA-N 372.280 5.590 30 40 FKEB Cc1cccc(C)c1NC(=S)N(CCC#N)[C@H]1C[C@@H](C)CC(C)(C)C1 1735799 ZPWZPXUNDXIEIK-QAPCUYQASA-N 357.567 5.431 30 40 FKEB O=[N+]([O-])c1ccc(SC2CCCCC2)c(/C=N/Cc2ccccc2)c1 2093286 YQXKLDGWLDBKCG-RCCKNPSSSA-N 354.475 5.639 30 40 FKEB CC(C)CCOc1ccc(/C=N/[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4738400 QGQHASDHCHVCFK-YSGNJBJASA-N 353.550 6.135 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc2ccccc12 5527138 NFYCUDYXYYKUSG-VHXPQNKSSA-N 372.493 5.797 30 40 FKEB Fc1ccccc1N/C(S)=N/N(Cc1ccccc1)c1ccccc1 13479209 LLWHFCREIKFHTF-UHFFFAOYSA-N 351.450 5.145 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 40145024 BYHFDCGJSVTKIR-JLHYYAGUSA-N 374.827 5.682 30 40 FKEB O=C(/C=C\Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 100662086 WOVNMQVPXPZGDE-FPLPWBNLSA-N 371.061 5.564 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc3ccccc23)cc1OC 409379144 UTXQSHUWJGLRHW-LZCVXGSNSA-N 367.876 6.430 30 40 FKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCC2 1060203 RNFBNMPEQHRFBY-WSDLNYQXSA-N 365.454 5.023 30 40 FKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 1252025 PYGMYBDYQHRKFM-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C3=C(CCCC3)N4C2=C1 4026650 LNXRKALIIDIDBW-ZPZUNKDASA-N 370.496 5.278 30 40 FKEB biogenic O=C(/C=C/c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 4738054 HHGQEKAUETWNLK-KPKJPENVSA-N 363.254 5.597 30 40 FKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccccc3Cl)ccc21 9047748 CBVWQDKTPZOTRV-ODLFYWEKSA-N 368.841 5.597 30 40 FKEB N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCCCCC2)cc1C#N 16429081 AWBDJVYYBOMVFA-UHFFFAOYSA-N 351.837 5.256 30 40 FKEB CCCCC[C@H](CSCC)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17125321 JUSWCYBUGDBLAE-ZHUYAKLQSA-N 359.362 6.525 30 40 FKEB Cc1ccc(C(=O)/C(C#N)=N\Nc2c(Cl)cc(Cl)cc2Cl)cc1 17201621 OKQFNPZTAJFJGH-STZFKDTASA-N 366.635 5.130 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cc(Cl)cc(Cl)c3)c2C)c1 100116673 OWWFNCAUNBCQEK-WYMPLXKRSA-N 371.311 6.768 30 40 FKEB O=C(COc1ccc(/C=N\c2ccccc2)cc1)Nc1cccc(Cl)c1 408812469 OWIKBVRMKUVFIH-UCQKPKSFSA-N 364.832 5.108 30 40 FKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408858558 TWQLYDNNTMURJY-FOKLQQMPSA-N 370.811 5.335 30 40 FKEB CCOc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O 779704 GWDKXVCOGWAEQR-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB O=C1/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)Sc2ccccc21 3668755 QUXQPENZBZMAOR-ZDLGFXPLSA-N 373.260 6.583 30 40 FKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(F)cccc1Cl 5211750 PTQXMIPISJQQOF-PRWKNARSSA-N 356.828 5.311 30 40 FKEB N#Cc1ccccc1Cn1cc(-c2nc3ccccc3s2)c2ccccc21 6971890 XVIFEQITPADGDK-UHFFFAOYSA-N 365.461 5.838 30 40 FKEB C=CCOc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 13717247 GHXFFFHYUPMRIK-UHFFFAOYSA-N 374.465 6.086 30 40 FKEB CC[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1 15741742 RHAMIRYNDYZPCH-DGXIYAMASA-N 371.484 5.144 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 32100249 YNIGOAJGOGKOQW-OUKQBFOZSA-N 368.263 6.469 30 40 FKEB COc1ccc([C@@H](Nc2snc(Cl)c2C#N)c2ccc(C)cc2)cc1 70040507 KSHGXENLYKTJKO-KRWDZBQOSA-N 369.877 5.187 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)cc1 408755518 QOFMRBKSIKJTLS-MFKUBSTISA-N 374.484 5.502 30 40 FKEB Cc1c(Cc2ccccc2)sc(/N=C/c2ccc(Cl)cc2)c1C(N)=O 671964 WTAHUHPJGSMHOB-FSJBWODESA-N 368.889 5.150 30 40 FKEB N#Cc1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCCC2 710279 JKDSQMRRAGAGIU-UHFFFAOYSA-N 360.482 5.223 30 40 FKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccc(Cl)cc2)cc1 4867322 LYUXFPSWKUHLAI-LFVJCYFKSA-N 363.892 5.813 30 40 FKEB Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 5066396 UUWBBFZBSAHQRA-ZVHZXABRSA-N 372.859 5.705 30 40 FKEB COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(-c2ccccc2Cl)o1 5445104 WJHJSTHTILLEMN-RGVLZGJSSA-N 356.765 5.267 30 40 FKEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3Cl)N=C2O)ccc1O 6464484 NOWDUMOBGWEGRW-YBEGLDIGSA-N 374.849 5.176 30 40 FKEB CCCCCCCCCCCCNC(=O)c1cccc(Br)c1 33355088 WLODYISPCWMIII-UHFFFAOYSA-N 368.359 6.100 30 40 FKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1 59489023 QHCDYSYKRGTNMH-RVDMUPIBSA-N 364.670 5.691 30 40 FKEB N#CCCSc1ccc(Cl)cc1NC(=O)Cc1c[nH]c2ccccc12 65453160 OEZAEEDBNVVCGY-UHFFFAOYSA-N 369.877 5.008 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 408692769 UUVOZMGGLCKBQJ-FOCLMDBBSA-N 365.476 6.452 30 40 FKEB C=C1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)CC2=C(C)CC[C@H]12 849535 FIVVYCVIXJNZET-MJGOQNOKSA-N 355.434 5.223 30 40 FKEB biogenic C[C@@H]1CCc2c(sc(NC(=O)Nc3cccc4ccccc34)c2C#N)C1 28579355 KCMYZZZGBFAWIZ-CYBMUJFWSA-N 361.470 5.542 30 40 FKEB Cc1cc(N/C=C/C(=O)c2ccc(Br)cc2)ccc1Cl 44843527 IRBRVTRSZPDJQO-CMDGGOBGSA-N 350.643 5.219 30 40 FKEB CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 59059124 WWTTXMMZHOBTAM-OAQYLSRUSA-N 372.590 5.534 30 40 FKEB biogenic Cc1cc(C)cc(/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 100111295 RSJMQEONJHMPRW-YYDJUVGSSA-N 374.871 5.624 30 40 FKEB C[C@H]1CCc2c(sc(N/C=C/C(=O)c3ccc4ccccc4c3)c2C#N)C1 103844930 NZZPUJHYIXENNG-NKSUMMKUSA-N 372.493 5.706 30 40 FKEB CSC(NC1CCCCC1)=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 136212059 ZCIDQANUUKHAFK-UHFFFAOYSA-N 361.595 6.011 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(OC)nc3)cc2[C@H](C)CC1(C)C 260565696 JNIUSBPRSHIOHR-GEWRUKCFSA-N 351.494 5.261 30 40 FKEB CCCCc1ccc(C2=CC(=O)C(c3ccc(CCCC)cc3)=CC2=O)cc1 1610683 AJQVMIVEYHNFSR-UHFFFAOYSA-N 372.508 5.991 30 40 FKEB O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)Sc2ccccc21 4853794 WBRJBUUQSQXRPU-ZDLGFXPLSA-N 373.260 6.583 30 40 FKEB O=C(O/N=C1\CCCC\C1=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 6514174 YSTDIKUIUMSQMQ-RPJVLSHYSA-N 374.267 6.164 30 40 FKEB CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525384 JNSNOMBEZFGTQM-UHFFFAOYSA-N 354.203 6.060 30 40 FKEB C=CCSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 219809492 XLMLZAVYFSYCBS-UHFFFAOYSA-N 359.494 5.484 30 40 FKEB Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c(C)n1-c1ccc(Cl)cc1 408768226 VFATVCPABDPXHC-SRZZPIQSSA-N 369.808 5.112 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(N=Nc3ccccc3)cc2)cc1 409090551 RDGHUJWBCBOEGA-IBTMRHFJSA-N 355.441 6.473 30 40 FKEB CCCCCCCCc1nnc(NC(=O)Nc2ccccc2F)s1 2351996 SRNHBGREJVIQLS-UHFFFAOYSA-N 350.463 5.224 30 40 FKEB Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc12 3114109 QBZFXIDIPBRDDA-FSJBWODESA-N 362.816 5.913 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1cccnc1 4981189 NTUBADFSWKPJGG-VULFUBBASA-N 373.847 5.181 30 40 FKEB C=CCOc1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 7495451 BNKITLUGLBDVLJ-UHFFFAOYSA-N 370.452 5.632 30 40 FKEB C[C@@H](/C=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 30728954 LPFFRMGUWCHBIL-YMTOYBDESA-N 358.526 5.492 30 40 FKEB in-vitro CCOc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 33376644 ZKWXMUJLQILKJT-VKAVYKQESA-N 358.437 5.560 30 40 FKEB CCCCCCCCCCCCc1ccc(-c2ccc(CCC)cn2)cc1 97994386 GIOIKFNEBNYRMA-UHFFFAOYSA-N 365.605 8.165 30 40 FKEB CCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC 100501542 COAHVTXOBICIGS-NRFANRHFSA-N 356.591 6.562 30 40 FKEB Cc1cc(Cl)cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 409154165 NXWOONOABJZBPZ-LVCYWYKZSA-N 350.849 5.377 30 40 FKEB Fc1cccc(Cn2ccc3cc(/C=N\c4cccc(Cl)c4)ccc32)c1 409232494 IRHMPAWCLVVTIZ-QFEZKATASA-N 362.835 6.233 30 40 FKEB CC[C@@](C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 1647929 AHWYAIGADCNSTP-RUZDIDTESA-N 368.480 5.201 30 40 FKEB Cc1c(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccn2c1CCC#N 3236456 AMAJJTSZECBHIE-UHFFFAOYSA-N 357.240 5.242 30 40 FKEB N#CCSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 3290638 WCGIRXIELWWYEM-UHFFFAOYSA-N 362.502 5.143 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1 5002995 HBKPJDNFPXXENA-OVVQPSECSA-N 364.452 5.647 30 40 FKEB CSc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 6048658 PQLUQWAYOKUOAO-RUDMXATFSA-N 357.689 6.265 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OCC 6959815 ZEUYVBNOKVKZAD-UHFFFAOYSA-N 352.261 5.569 30 40 FKEB O=C(/C=C\c1ccco1)/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17169593 IDKMDDQNTBCOKI-XGXWUAJZSA-N 359.208 6.142 30 40 FKEB O=C1c2cc(Cl)ccc2-c2ccc(/N=C\c3ccccc3Cl)cc21 17325277 OMEKUCJMNAZLBG-KSEXSDGBSA-N 352.220 5.955 30 40 FKEB CCCCCCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 100984485 ZLRQQEVGNZPNLZ-UHFFFAOYSA-N 358.413 5.499 30 40 FKEB CCCCCCCCCCCCCC(=O)c1cc(Cl)ccc1OC 101471266 ADLBXILNWJFOSN-UHFFFAOYSA-N 352.946 7.232 30 40 FKEB Cc1ccc(Cn2cc(/C=C/C(=O)c3ccccc3)c3ccccc32)cc1 408625655 YWNWVPUXYDIPCN-FOCLMDBBSA-N 351.449 5.894 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc4ncccc4c3)c2C)cc1C 408740049 HZVHOILQHRUTPP-YSMPRRRNSA-N 353.469 6.010 30 40 FKEB CCCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 408908089 DLIUBMJIAIQTGM-KLPPEWMLSA-N 366.486 5.105 30 40 FKEB CC(C)COc1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)c2ccccc12 408978051 GUUKWADFRKAYLM-UHFFFAOYSA-N 371.484 5.100 30 40 FKEB CC(C)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575243130 SFIWKXRQTRCGEH-UHFFFAOYSA-N 366.223 5.461 30 40 FKEB Clc1ccc(Cn2c(/N=C/c3cccs3)nc3ccccc32)cc1 1507557 HZDWVGBKGGGCKY-CIAFOILYSA-N 351.862 5.550 30 40 FKEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CC)C1CCCCC1 4265970 SVWJIYAMJCPNNJ-NXSRCCIVSA-N 362.430 5.287 30 40 FKEB C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21 4975171 ZFIQRFCKNBMEDW-LRDNONRASA-N 372.295 6.385 30 40 FKEB C[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3Cl)c(C#N)c2C1 5185861 DIKBWIAWDBVIAQ-SECBINFHSA-N 365.285 5.304 30 40 FKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2ccccc2)nc1 6297352 LADMLRBILZTBOZ-BRJLIKDPSA-N 371.362 5.125 30 40 FKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 6962513 XRJAQLRAVPTALZ-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1Cl 17125948 SXPLKOMMFMGVKK-MPUCSWFWSA-N 368.569 6.122 30 40 FKEB Clc1cccc(/C=N/CCCCCC/N=C/c2cccc(Cl)c2)c1 18096366 LZKXUGRBACZKFG-DFEHQXHXSA-N 361.316 6.092 30 40 FKEB C(#Cc1ccc2c(c1)oc1cc(C#Cc3ccccc3)ccc12)c1ccccc1 18194020 HJLWEXUHMNFJMX-UHFFFAOYSA-N 368.435 6.386 30 40 FKEB CCCCCCCCCCCCCCCCn1c(CO)nc2ccccc21 100114629 FJEHNBZEGBDNTO-UHFFFAOYSA-N 372.597 7.010 30 40 FKEB Cc1ccc([C@H](NC(=S)Nc2ccc(CC#N)cc2)C(C)C)c(C)c1 225764292 WDQBCAPLKFWMRP-HXUWFJFHSA-N 351.519 5.053 30 40 FKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408754374 NASTXKYXWNMWNF-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB CC(C)(C)O/N=C/c1cc(NC(=S)c2ccsc2)ccc1Cl 5713892 JPZLUFUAACOGIT-GIJQJNRQSA-N 352.912 5.338 30 40 FKEB CCN(CC)CCC[C@@H](C)/N=C(\Nc1ccccc1)c1ccc(Cl)cc1 5839425 GAFACWGMDHCBHZ-GOSISDBHSA-N 371.956 5.709 30 40 FKEB CCOc1cc(Br)cc(/C=N/c2ccc3ccccc3c2)c1O 16688217 CTKWDKWBRMJARY-CIAFOILYSA-N 370.246 5.457 30 40 FKEB CCCCCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 59691099 CJSWGNJBSLVGHX-UHFFFAOYSA-N 369.490 5.293 30 40 FKEB CCCCCCCCCCCNC(=O)Nc1cc(F)c(F)cc1Cl 100037718 MOZATJBKTBEPIU-UHFFFAOYSA-N 360.876 6.271 30 40 FKEB CCCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1N 100959383 LPWVCRVGDAOCSH-UHFFFAOYSA-N 368.587 5.712 30 40 FKEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253370244 OEFVYGZGLIGBOP-XQELKONGSA-N 366.549 5.415 30 40 FKEB CCCN1C(=O)/C(=C\c2ccccc2OCC)S/C1=N\c1ccccc1 408906894 DYNRYDWLGGGOCL-VYADPRQXSA-N 366.486 5.099 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409379202 VKPPONOVZQHMDU-YSRRJJCPSA-N 366.288 6.238 30 40 FKEB Cc1oc(/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C#N)c1C 1093118 ZKDZAVKWTOVJSR-RPPGKUMJSA-N 371.415 5.661 30 40 FKEB N#Cc1ccc(CSc2ccccc2C(=O)NC2CCCCCC2)cc1 12750732 FVAULBFNYXVDDY-UHFFFAOYSA-N 364.514 5.303 30 40 FKEB CC(C)(C)C1CCC(C(=O)N2CCCS/C2=N\c2ccccc2)CC1 16050324 LNZPPAFIHUFJPB-XDOYNYLZSA-N 358.551 5.492 30 40 FKEB C=CCn1c(S[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1C1CC1 78480802 LIHDWTQKKNBIOG-NSHDSACASA-N 353.413 5.214 30 40 FKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C#N)c1C 408591450 TVXALCCHINZBHC-FOKLQQMPSA-N 351.837 5.580 30 40 FKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(C)c1 408965037 FPORIXMAHOYSFJ-QQXSKIMKSA-N 358.529 6.759 30 40 FKEB Cc1ccc(-c2nc(NN=C3CCCC3)sc2-c2ccccc2)cc1C 408977521 WHCMWQBXLRASMN-UHFFFAOYSA-N 361.514 6.436 30 40 FKEB Cc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1Cl 409010958 GLSMIUAJCPHSQW-MTJSOVHGSA-N 373.681 5.952 30 40 FKEB Cc1cccc2oc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)nc12 1435246 LISWKLCQPSFZCL-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccncc4)nc3c2)cc1 3202477 SHCBMDRLQCEMRS-UFNRHHMYSA-N 370.368 5.214 30 40 FKEB Cc1cccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc12 3661655 BTCVMIPJCFBRLJ-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB COc1c(Cl)cc(Cl)cc1[C@H](C#N)N1N=C(C)C[C@@H]1c1ccccc1 4834754 MXIJKSTURHMVDS-MSOLQXFVSA-N 374.271 5.390 30 40 FKEB CC/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1 6377972 KPWQKYGFPPAUHS-HYARGMPZSA-N 361.194 6.238 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(Cl)cc1 8278075 NDGOFAWEOZZTCE-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)o1 13769110 OQYGMLCIYBSZHJ-JAIQZWGSSA-N 366.800 5.437 30 40 FKEB C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O 31166044 AAPGEKMDLXBUBL-ZGNLYJAISA-N 364.526 5.219 30 40 FKEB biogenic,in-vitro Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2Cl)S1 59224233 JVARGNRQFOZQJL-NVNXTCNLSA-N 363.269 5.193 30 40 FKEB CCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 59387333 NAADOXDILHUJMG-KGENOOAVSA-N 351.475 5.435 30 40 FKEB c1ccc(/N=C2\c3ccccc3NC2(c2ccccc2)c2ccccc2)cc1 104202232 CYOQIJLIDJSXET-IMVLJIQESA-N 360.460 6.177 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)CS(C)(=O)=O 104202829 UWGJMZFXERZLEB-UHFFFAOYSA-N 360.604 5.862 30 40 FKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408739458 WNJHFVYWVQTWDW-DHDCSXOGSA-N 363.269 5.193 30 40 FKEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCCc1ccccc1 940646 VXHMPSSRBZMCOX-UHFFFAOYSA-N 369.464 5.118 30 40 FKEB O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 3044828 QMGSAILPIPRCLC-BLFRMDKKSA-N 372.449 5.201 30 40 FKEB CCCCSc1nc(-c2cccs2)c(C(=O)C(F)(F)F)cc1C#N 3174869 LEFPIPJVVVYGTL-UHFFFAOYSA-N 370.421 5.319 30 40 FKEB Cc1ccc(N2C(=O)c3ccccc3Oc3cc(C#N)c(C#N)cc32)c(C)c1 4744512 AZWFSQOWFIRONZ-UHFFFAOYSA-N 365.392 5.131 30 40 FKEB CCc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)cc3C)n2)cc1 6168887 VMRBYTLFNNZBRK-NCELDCMTSA-N 360.486 5.329 30 40 FKEB CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccccc2)n1 19820778 ZBSUXODAHJSPFC-UHFFFAOYSA-N 366.877 5.003 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 103012273 CZEKIMGGQPTHMV-HAVVHWLPSA-N 368.477 5.570 30 40 FKEB CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103525970 PPIFROJKYRXSEA-UHFFFAOYSA-N 366.405 7.911 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cccc(Cl)c2C)o1 408960735 IILQGLGZGREIEQ-SSDVNMTOSA-N 353.805 5.666 30 40 FKEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2ncccc2c1 408968496 ZRVCAWLOLWJXJE-OYKKKHCWSA-N 370.412 5.301 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccccc1F 5376943 DJPWRNGDTBAYQK-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB COc1cccc(/N=C/C=C/C=C2/Sc3ccc4ccccc4c3N2C)c1 5739421 MZALTXMMCDRPJD-UXNXSNKFSA-N 372.493 6.190 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 6692852 QIYCVOWXXVDCGA-ZVHZXABRSA-N 363.844 5.590 30 40 FKEB Clc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 15989528 ADVHHOLZVGQHSJ-LFVJCYFKSA-N 357.844 5.943 30 40 FKEB CCN1c2cc(C)c(/C=N/c3ccc(C(C)C)cc3)cc2C(C)=CC1(C)C 198163695 DVPQVFCSTOPCMB-WGOQTCKBSA-N 360.545 6.891 30 40 FKEB Clc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409019064 OTFGNAZCRXOHSA-JAIQZWGSSA-N 364.322 6.957 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2cc(C)ccc2C)cc1OCC 409109881 NEJLITIJORZRJG-UHFFFAOYSA-N 351.490 5.608 30 40 FKEB O=C1C=C(Nc2ccccc2Oc2ccccc2)C[C@@H](c2ccccc2)C1 688717 QQCHBWYAEFSFIG-LJQANCHMSA-N 355.437 5.921 30 40 FKEB N#C/N=C(/S/C=C/C(=O)c1ccc(F)cc1)SCc1ccccc1 5683351 CYWNTOYLSZTSDD-SDMMKSMRSA-N 356.447 5.026 30 40 FKEB Clc1ccc(CO/N=C(\c2ccccn2)[C@@H]2C[C@H]2c2ccccc2)cc1 5684711 KXSCUFLGDPVJOC-JYSNPAFQSA-N 362.860 5.460 30 40 FKEB FC(F)(F)c1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1 95676800 VCOPASKQGGTLRF-UHFFFAOYSA-N 361.001 5.506 30 40 FKEB CCCCCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 103007357 NGIRLSLELWAEMZ-HMMYKYKNSA-N 364.529 7.102 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OCC 408608043 MFGSPFCJMAIDOA-UHFFFAOYSA-N 370.251 5.708 30 40 FKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 408737546 DABMYWNZQONNGK-CIAFOILYSA-N 368.824 5.102 30 40 FKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408738390 WOBCDNVOCFEBHG-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960254 KFWBEAXOEQVFTJ-LZCVXGSNSA-N 361.441 6.217 30 40 FKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2c(O)ccc3ccccc23)c1 1496904 PTXKHNKHEPOSOT-FSJBWODESA-N 353.849 5.953 30 40 FKEB N#Cc1ccccc1COC(=O)c1cc(-c2cccs2)nc2ccccc12 5230893 CXAVDRONOSATGW-UHFFFAOYSA-N 370.433 5.192 30 40 FKEB Clc1cc(Cl)c(N/N=C/c2ccc3nccnc3c2)c(Cl)c1 5532527 DPWDMXYWAHQESY-ODCIPOBUSA-N 351.624 5.036 30 40 FKEB COc1cc(/C=N/c2cccc(Cl)c2)ccc1OCc1ccccc1F 6646152 KEOGYOCUOJFRFI-ZMOGYAJESA-N 369.823 5.817 30 40 FKEB CN1c2ccccc2C[C@@](C#N)(c2nc3ccccc3s2)C12CCCCC2 7978574 FXLWIFMBJRKYLO-JOCHJYFZSA-N 373.525 5.453 30 40 FKEB O/C(CCc1ncc(-c2ccc(F)cc2)o1)=N\Cc1ccc(Cl)cc1 8705560 CUBKRTBQEFRXND-UHFFFAOYSA-N 358.800 5.223 30 40 FKEB O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)Cc2ccccc21 28297227 XGEDGBUGEHQCAN-XMHGGMMESA-N 367.423 5.651 30 40 FKEB CCCCCCCCCCCCCCCCCNc1ccc(OC)cc1 101509215 BHLSCCZLACIGFJ-UHFFFAOYSA-N 361.614 7.979 30 40 FKEB COc1ccccc1/C=C/C1=C(C)C(=O)C[C@@H](c2ccccc2OC)[C@H]1C 104195314 MMBWSOJWZHGXOX-NLGZVZEPSA-N 362.469 5.426 30 40 FKEB CCCCCCCCCCCCCCCC/N=C/c1ccccc1[N+](=O)[O-] 104364165 NBYPHQTTYMLIAF-DARPEHSRSA-N 374.569 7.495 30 40 FKEB C=C(C)COc1cccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 219790664 ZXBHNCXHGBHQGF-QFIPXVFZSA-N 367.489 5.167 30 40 FKEB COc1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 409112376 BRKLARYYNOWWMO-STZFKDTASA-N 364.426 5.505 30 40 FKEB O=[N+]([O-])c1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409240413 KQJLSEUEHMHSRW-ZVHZXABRSA-N 373.387 5.488 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)co1)c1ccc2oc3ccccc3c2c1 1775966903 NWVJKZLTNUGHCW-MFKUBSTISA-N 367.408 6.077 30 40 FKEB Cc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 5698528 MWUBMOVFOMMABB-YZSQISJMSA-N 351.449 6.478 30 40 FKEB CCOc1ccc(C(=O)/C(=C\c2ccccc2)c2nc3ccccc3o2)cc1 5872870 IMQJZKIHKHYQCD-CAPFRKAQSA-N 369.420 5.650 30 40 FKEB O=C(/C=C/c1ccccc1OCc1ccccc1)c1cc2ccccc2o1 6341556 SDLJDTPEIRNNCD-CCEZHUSRSA-N 354.405 5.908 30 40 FKEB COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCCC(C)C 33422050 BGLMFAQUANYYCT-RGEXLXHISA-N 350.458 5.333 30 40 FKEB CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC 100104532 BZHUUTOAKXXTMA-UHFFFAOYSA-N 360.582 6.818 30 40 FKEB CCCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225855364 MRDFUYCKUFRYGT-YVHKJVDXSA-N 372.509 5.050 30 40 FKEB CCn1c(N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)nc2ccccc21 408692216 HHTQLWHTGSZODO-BUVRLJJBSA-N 371.488 5.218 30 40 FKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccc3ccccc3c12 712141 GQPIVDBZFYLPBL-HSZRJFAPSA-N 359.856 6.167 30 40 FKEB COc1ccc(N/C(=N\c2ccc(C)cc2)c2cccc3ccccc23)cc1 5588093 ZUELNGDFVYCQHF-UHFFFAOYSA-N 366.464 6.347 30 40 FKEB CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 8654597 KAOOFVCRPUPNTB-GFCCVEGCSA-N 371.824 5.249 30 40 FKEB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1cccc(C#N)c1 11344664 ANEYIQQFRMLMKU-SFHVURJKSA-N 369.468 5.004 30 40 FKEB Cc1ccc(-c2n[nH]cc2/C=N/N=C2c3ccccc3-c3ccccc32)cc1 17074555 NAVCDUOSJYHVMN-CVKSISIWSA-N 362.436 5.237 30 40 FKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3c(O)ccc4ccccc34)S2)c1 59459439 XULFOYFQNFKAFJ-NDENLUEZSA-N 374.465 5.054 30 40 FKEB CCCC(=O)Nc1cccc(NCC#Cc2ccc(C(F)(F)F)cc2)c1C 89949380 PUVNCUQHFCXYBK-UHFFFAOYSA-N 374.406 5.216 30 40 FKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 408864692 YIKWVUIWNGMWLL-PCDQMTBKSA-N 366.486 5.462 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2C)cc1Cl 409010327 CBXJZIVMDIUUMN-OFJBCHTGSA-N 359.853 5.363 30 40 FKEB COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409233410 RZTNIIHWQQTJPB-HZHRSRAPSA-N 361.466 5.683 30 40 FKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3C)c2)cc1C 409382977 SKOCCDKTWSOUSP-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB CCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330417 ZWSMKHOUNJKBLI-YPKPFQOOSA-N 364.389 7.687 30 40 FKEB COc1ccc(-c2cc(-c3cccs3)nc(SC)c2C#N)cc1OC 988963 PEQSXUDHWKSTOG-UHFFFAOYSA-N 368.483 5.088 30 40 FKEB CCCCC[C@H](CSCC)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1573419 JUSWCYBUGDBLAE-SLZMIMFISA-N 359.362 6.525 30 40 FKEB Cc1cc(N2Cc3ccccc3C2)cc(C)c1/N=N/c1ccc(C#N)cc1 4774673 HQNJEQLZWGUWDG-OCEACIFDSA-N 352.441 6.111 30 40 FKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 8411964 RQIZFILOCJNHFV-NVNXTCNLSA-N 363.269 5.193 30 40 FKEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(C)cc2)S1 26896820 FNSPAUJKJDTNRG-SFHVURJKSA-N 368.523 5.590 30 40 FKEB O=C(/C=C/Nc1cccc2c1CCCC2)c1ccc(Br)cc1 44843385 YBEKRYNNAZEEFS-OUKQBFOZSA-N 356.263 5.136 30 40 FKEB CCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052383 HXMBKUTXMKATOZ-REXWVETOSA-N 363.505 7.037 30 40 FKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 226321910 VKVPSRICPKSNQH-UHFFFAOYSA-N 369.631 5.016 30 40 FKEB Cc1cccc(N(C)/N=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1 408723939 ARGKHIMHYVUYNU-LVWGJNHUSA-N 368.436 5.052 30 40 FKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 408780639 GVPNNFHGPSECIP-SSDVNMTOSA-N 355.344 5.031 30 40 FKEB Cc1ccc(-n2cccc2/C=N\c2cc(C(=O)O)ccc2C)cc1Cl 409010640 CRRHAQUTRZKRQN-UUYOSTAYSA-N 352.821 5.196 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 409202010 QCNOTYQTNCOLTG-BUVRLJJBSA-N 361.441 5.342 30 40 FKEB CC(=O)Oc1ccc(Cl)cc1/N=C/c1sc2ccccc2c1Cl 2288745 XOUZYYQEWOTEOJ-AWQFTUOYSA-N 364.253 5.884 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3O)oc2c1 4181453 NHIVFGHQFVBJSB-FSJBWODESA-N 358.397 5.273 30 40 FKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 5550915 SECDBYHVUDASIC-AQTBWJFISA-N 370.905 5.574 30 40 FKEB C=CCn1c(C)cc(-c2csc(-c3ccc(OCC)c(OC)c3)n2)c1C 6650652 BDXRUSPGJYYHKP-UHFFFAOYSA-N 368.502 5.489 30 40 FKEB CC(C)(C)c1cc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1 17175326 FOUVTBKPJRMLPE-XFXZXTDPSA-N 364.485 5.876 30 40 FKEB in-vitro CC(C)c1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)cc1 51318639 JWAASPZECQIMIW-WUKNDPDISA-N 357.453 6.411 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)c2ccccc2)cc1 51318804 QCSWLFBPPDWZBH-WUKNDPDISA-N 371.436 5.125 30 40 FKEB O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cccc(C(F)(F)F)c1 58406972 FEMVNFHDXMHTLY-MDZDMXLPSA-N 354.331 5.059 30 40 FKEB Clc1cc(/N=C/c2ccc(N3CCCC3)o2)ccc1Br 59138701 HTPMUBWQMLNDJC-VCHYOVAHSA-N 353.647 5.046 30 40 FKEB Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 100093537 DJAJUXOVTUUIJZ-UFAQQFSPSA-N 372.468 5.002 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 102419312 RYZGVLBQYNWOSF-MFKUBSTISA-N 364.404 6.104 30 40 FKEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 222695450 WJNFCKNAHUFEEO-QGZVFWFLSA-N 353.462 5.089 30 40 FKEB Fc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c(F)c1 408931142 HQPWTLOCDBSVEL-BHGWPJFGSA-N 350.290 5.525 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc2ccccc2c1 409101862 ZGKXRQJMJQDHAB-JLPGSUDCSA-N 360.457 5.208 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)cc1 409186672 GINBCDDSAUFHOX-PCLIKHOPSA-N 360.501 6.367 30 40 FKEB CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 659350 XOUXEPKPLPTARP-RUZDIDTESA-N 368.480 6.032 30 40 FKEB N#C/C(=N/Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 4175369 IJANUPYOEDCHHM-HAHDFKILSA-N 373.268 5.457 30 40 FKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3C)cs2)cc1 4957176 LKFFTSPJCCIYQT-PXLXIMEGSA-N 351.475 5.272 30 40 FKEB Clc1cccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)c1 6315687 UGWWOMGMROCAAK-QOMWVZHYSA-N 360.848 5.275 30 40 FKEB CC(C)(C)c1ccc(/C=N/Nc2oc(-c3ccc(F)cc3)nc2C#N)cc1 11916955 LVAWQGFNNCVVMF-ZMOGYAJESA-N 362.408 5.096 30 40 FKEB Cc1cc(C[C@@H](C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 77291193 ZVTJBNITRSOQLT-NRFANRHFSA-N 369.512 5.756 30 40 FKEB in-vitro Clc1ccc(/N=C\c2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 101465328 ITCBZDBGGMJBQB-NQGGHMMCSA-N 353.252 6.495 30 40 FKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 197772052 FDEWRDDTYUFEPT-WGOQTCKBSA-N 353.469 5.955 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1 409231943 GLDPLFSCBQYUCG-OEAKJJBVSA-N 351.902 6.859 30 40 FKEB C=C1Cc2[nH]c3ccccc3c2C(C)(C)[C@@]12C(OCC)=Nc1ccccc12 2094482 YLEIUSMPLLXION-DEOSSOPVSA-N 356.469 5.576 30 40 FKEB biogenic COc1ccc(Br)cc1/C=N/c1ccccc1N1CCCCC1 3238750 IFQCWHNWOKEFBN-KGENOOAVSA-N 373.294 5.199 30 40 FKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)c1C 5551509 NCQLCEIXNLEXDS-DEDYPNTBSA-N 358.466 5.348 30 40 FKEB O/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1 13301336 ODMJIIJUJAYBCI-RJIYWPMVSA-N 356.469 5.151 30 40 FKEB CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 19820731 LQEYCOYCKDVOAN-WMLDXEAASA-N 352.507 5.036 30 40 FKEB C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(C(=O)OCC)cc1 27751886 AIUKRDSWVCBGJH-UHFFFAOYSA-N 373.456 5.101 30 40 FKEB CCCCCCCCCCCCCCCCOc1ccc2ccccc2c1 100310097 YZXHIPCZOJTFLF-UHFFFAOYSA-N 368.605 8.700 30 40 FKEB CCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(O)c1 100925800 VVVMSBXRXRXHJP-UHFFFAOYSA-N 364.526 6.259 30 40 FKEB CCCCCCCNCc1ccc(-c2ccc(Br)cc2)o1 105344280 RHLWNQWZJBCVPU-UHFFFAOYSA-N 350.300 5.769 30 40 FKEB CC[C@H](C(=O)/C=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 245239767 MDGSZSJIRYOQHA-PGIXKNCXSA-N 356.506 5.299 30 40 FKEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1c(C)cccc1C 408907099 LWCUNUSAPDAQTA-JRLDGGGSSA-N 370.905 5.581 30 40 FKEB CC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409071887 QJWOHCKHVHOOKQ-OEAKJJBVSA-N 365.885 6.444 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl 409203165 UUUDFURGISQKDO-UFFVCSGVSA-N 354.664 6.271 30 40 FKEB COc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 808991 SKFRGOZDAZSDSS-UDWIEESQSA-N 356.219 5.468 30 40 FKEB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 829060 FFYZCTIAPVYXFP-BXUZGUMPSA-N 369.317 5.028 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 1514793 PNSFMHLKADDPTN-UHFFFAOYSA-N 355.422 5.087 30 40 FKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccc3ncccc3c2)O1 2269588 DZLWXAMRMLIEHI-LQXXXRBKSA-N 356.425 5.645 30 40 FKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1c(F)cccc1F 3236357 KJBZJEUZMJPGFZ-UHFFFAOYSA-N 369.436 5.590 30 40 FKEB CSc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 35609997 UNYFSVJQOBDQQP-QFXGEWDLSA-N 358.462 5.809 30 40 FKEB CC(C)Cc1ccc([C@@H](C)/C=C2/CC[C@H](CN3CCCCC3)C2=O)cc1 61935879 ZKLVNVLQZNFKHL-SFXJVZJRSA-N 353.550 5.380 30 40 FKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 96237137 IGFLASVJRKBFSL-WGOQTCKBSA-N 355.412 6.309 30 40 FKEB CCCCCCCCCC(=O)O[C@H](C)C(=O)N(CCCC)CCCC 104180554 CIDZTQVVVZZVCQ-LJQANCHMSA-N 355.563 5.488 30 40 FKEB CCN1c2ccc(/C=N/c3ccc(OC)c(Cl)c3)cc2[C@H](C)CC1(C)C 198097925 IXYDEYHMBJZHMY-LZCVXGSNSA-N 370.924 6.211 30 40 FKEB COc1ccccc1/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C 223541561 QHACAKCXIBBRSF-HIQXPHMNSA-N 350.506 5.946 30 40 FKEB Cc1ccc(Cn2c(C#N)cc(N)c2Oc2cc(C(C)C)ccc2C)cc1 225886924 VBIZFSVTZWRQBN-UHFFFAOYSA-N 359.473 5.523 30 40 FKEB COc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1Cl 409220684 DGPNXXNVDRCHAG-OEAKJJBVSA-N 367.901 6.559 30 40 FKEB Cc1ccc(C)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 1445314 IKCMYQNGBHOSKH-DNTJNYDQSA-N 366.686 5.792 30 40 FKEB CC(Nc1cccc(OCc2ccccc2)c1)=C1C(=O)c2ccccc2C1=O 2543610 UJGRJXNWDIBYSY-UHFFFAOYSA-N 369.420 5.031 30 40 FKEB O=[N+]([O-])c1cc(/N=C/C(Br)=C/c2ccccc2)ccc1Cl 3240340 FSINMFBQORMCDP-DVHDXZMDSA-N 365.614 5.387 30 40 FKEB CSc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 3911108 PRMGLWVIPJXUSM-XBXARRHUSA-N 356.830 5.064 30 40 FKEB Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cccc(C(F)(F)F)c1 4014249 YAPMDVKYUWDVQY-ZHACJKMWSA-N 373.399 6.033 30 40 FKEB Clc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c(Cl)c1 5455333 VFQWWPKBQICNLP-UFFVCSGVSA-N 371.227 5.576 30 40 FKEB CN(C)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 16689646 FMNOKRYALKWYRC-CAPFRKAQSA-N 368.436 5.317 30 40 FKEB C/C(=C\C(=O)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32100289 NFZSPMMGWVHTIE-YRNVUSSQSA-N 373.296 5.923 30 40 FKEB Cc1cc(C[C@H](C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 77291194 ZVTJBNITRSOQLT-OAQYLSRUSA-N 369.512 5.756 30 40 FKEB in-vitro C=CCSc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C 223720474 DILIPECBBBFJAZ-UHFFFAOYSA-N 369.530 5.071 30 40 FKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccccc1 409367677 DGWFNQRTAGANOS-KGENOOAVSA-N 370.448 5.487 30 40 FKEB O=C(c1ccccc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 722225 NWKUHLKXHDAEQI-HYARGMPZSA-N 364.242 5.431 30 40 FKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2nc3ccccc3s2)c1C 4106515 MTYGTMPCVPVLAY-YDZHTSKRSA-N 374.513 5.767 30 40 FKEB N#C[C@@]1(c2ccccc2)CCc2nc3ccccc3c(-c3ccccc3)c2C1 12546875 ASSSEQNBKDMYNC-AREMUKBSSA-N 360.460 5.852 30 40 FKEB O=[N+]([O-])c1ccc(/N=N/C(Cc2ccccc2)=N/Nc2ccccc2)cc1 16979445 IIWSYCPYQWJAEC-FWOYJBNGSA-N 359.389 5.347 30 40 FKEB N#C[C@@H](OC(O[C@@H](C#N)c1ccccc1)c1ccccc1)c1ccccc1 18163124 SOKMZRPGTCRBON-AIZNXBIQSA-N 354.409 5.248 30 40 FKEB Cc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59194509 UCPTVHRHPVOTMQ-OEAKJJBVSA-N 373.481 5.630 30 40 FKEB O=C(/C=C1/Nc2ccccc2C(=O)N1c1ccccc1Cl)c1ccccc1 104284262 IVGJESFDFFSJIN-STZFKDTASA-N 374.827 5.137 30 40 FKEB C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 104318009 OMLHTHDNMOEJMF-BJFMJZMRSA-N 357.280 6.459 30 40 FKEB COc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409251421 QGKZHMPIXUIZHO-MFKUBSTISA-N 358.416 5.588 30 40 FKEB O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)Cc2ccccc21 409368559 CAIVXGOISDURAD-XMHGGMMESA-N 360.840 5.741 30 40 FKEB O/C(=N\c1cccc(F)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 7917785 XSWBTGRHUJTVDY-UHFFFAOYSA-N 371.415 5.374 30 40 FKEB CCCCCCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 100321995 TWOIVXBNIUADIG-UHFFFAOYSA-N 374.502 5.374 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1CCCO1 104355736 RYQKMSDUKYBZSD-JOCHJYFZSA-N 368.602 6.970 30 40 FKEB Oc1ccccc1C=Nc1oc2ccccc2c1N=Cc1ccccc1O 255004252 WBJRRXSNHBYISQ-UHFFFAOYSA-N 356.381 5.345 30 40 FKEB Fc1ccc(/N=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 727282 JVALENKCYCLEEH-ZMOGYAJESA-N 363.823 5.628 30 40 FKEB COc1ccc(C(=O)/C=C/Sc2ncc(C(F)(F)F)cc2Cl)cc1 1041924 OFFPLYFITYRVBR-VOTSOKGWSA-N 373.783 5.251 30 40 FKEB C=CCSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 3073178 HGGXFDZYSGFMDZ-WOJGMQOQSA-N 355.444 5.233 30 40 FKEB N#C[C@@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl 3117027 TUUBTDGWPIGQJJ-OAHLLOKOSA-N 372.280 5.590 30 40 FKEB O=C(/C=C/c1ccccc1Cl)c1cccc(NC(=O)c2ccco2)c1 4154867 FEIWXCLHGZJTMI-ZHACJKMWSA-N 351.789 5.081 30 40 FKEB CCc1ccc2oc(-c3ccc4nc(NN=C(C)C)sc4c3)nc2c1 40542405 SGHQGSQFJJTYEJ-UHFFFAOYSA-N 350.447 5.475 30 40 FKEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)C)cc3)c2C#N)C1 995714 OREUIZFDXQBUPT-CQSZACIVSA-N 352.503 5.510 30 40 FKEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1069548 IVYJTBKHRAAUDK-NRFANRHFSA-N 372.493 5.521 30 40 FKEB CC(=O)Nc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 4811789 JPFQZLSGOZGYPA-XWIPEQAGSA-N 362.429 5.055 30 40 FKEB Fc1ccc(/N=C(\S)SCc2ccc(Cl)c(Cl)c2)c(F)c1 6511351 ORPZEPBCHIIKHW-UHFFFAOYSA-N 364.269 6.122 30 40 FKEB C=C(C)COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 8570647 HXXYSANIKNDGJW-UHFFFAOYSA-N 373.452 5.473 30 40 FKEB O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccccc2)N1c1ccccc1 13756781 HAMQEJWEZUSIKU-BLFRMDKKSA-N 372.449 5.201 30 40 FKEB Cc1ccccc1/N=C1\S/C(=C\c2ccco2)C(=O)N1c1ccccc1C 15018397 RSKLTAQGJZANMV-DJOYVXLESA-N 374.465 5.705 30 40 FKEB COc1ccccc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 59483132 IVDGLSHIJFJLAH-LFVJCYFKSA-N 353.425 5.299 30 40 FKEB C=CCn1c(-c2ccccc2)cs/c1=N/c1cccc(Br)c1 102946769 OPIKJMFWZJSRHS-CZIZESTLSA-N 371.303 5.398 30 40 FKEB CN(C)c1ccc(/C=N\c2ccc(/C=C3/C=Cc4ccccc43)cc2)cc1 104079531 NQHDJIZJAGLCSP-SVTBPMHQSA-N 350.465 6.071 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(C[C@H]2CO2)CCOCC1 104177272 PNSPSHVFJRJSTO-QHCPKHFHSA-N 368.626 5.714 30 40 FKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1O 104373354 SYTMCDNQPAKFJA-OQKWZONESA-N 363.571 5.111 30 40 FKEB C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1 225935037 GUUKMQFTISBYFJ-UHFFFAOYSA-N 371.480 5.586 30 40 FKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccc(Cl)cc2)cs1 409052032 HTGVBNBDUZNVFG-NAVQUYGWSA-N 353.878 5.965 30 40 FKEB C#CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409114213 DQGZHNNJEZUVBH-UHFFFAOYSA-N 363.844 5.756 30 40 FKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1NC(=O)c1ccccc1 409202479 RADPZSOYFBCDGE-XYGWBWBKSA-N 367.452 5.393 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1Cl 409210946 LUAQPQYLRZXQOG-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Oc1c(Cl)cccc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 2756701 BFWPKJWSOWRHQB-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB COc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc23)c(OC)c1 4277059 YTDPBEBARFKJBX-BUHFOSPRSA-N 368.432 5.906 30 40 FKEB COc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1OCC#N 6410377 MGWMHGBYEKQGOZ-YRNVUSSQSA-N 372.449 5.531 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 8371823 HCBBIYQUFWNDGW-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB N#Cc1ccccc1/C=C/C(=O)Nc1cccc(C2SCCCS2)c1 73150753 QLDSKQWBZKUCHA-MDZDMXLPSA-N 366.511 5.079 30 40 FKEB N#CCCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 78239462 PVCUQTBNTZTBAC-UHFFFAOYSA-N 368.893 5.374 30 40 FKEB CCCCCCCOc1ccc(NC[C@@H](C)Oc2cc(C)ccc2C)cc1 100033641 WNAVKNGEDGVFCB-OAQYLSRUSA-N 369.549 6.532 30 40 FKEB CCc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)nc2c1 101657386 DMELEYYDVOVYIE-ZVHZXABRSA-N 356.425 5.822 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 205143327 BUDDMBOSQXHLCN-UHFFFAOYSA-N 355.478 5.687 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 223496174 OENNMXNFTKKSGL-XYGWBWBKSA-N 361.533 5.914 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)cc2O)c1C 408961418 SSSYVDKTGZQAKJ-CFRMEGHHSA-N 366.892 6.075 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2C)c1C 408965517 HZONCNJDPLMQDP-MFKUBSTISA-N 374.484 5.502 30 40 FKEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 409115813 KULRXSSKVMXOJZ-STZFKDTASA-N 364.426 5.505 30 40 FKEB Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 4322982 IODJIXPJLYGQPS-FQEVSTJZSA-N 369.464 5.773 30 40 FKEB Cc1nc2cc(/N=C/c3ccccc3[N+](=O)[O-])ccc2n1Cc1ccccc1 5072148 DOJLSGTWMWBVLY-OEAKJJBVSA-N 370.412 5.052 30 40 FKEB CCCCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 5193189 IHYMXVJMZNYHSQ-AWNIVKPZSA-N 359.263 5.524 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C#N)C1 5902791 DIQPNBRCLVVAIF-NSHDSACASA-N 373.909 5.071 30 40 FKEB N#Cc1ccc(COc2ccc3ccccc3c2CN2CCCCC2)cc1 6508821 KQNFZTZLJFETCG-UHFFFAOYSA-N 356.469 5.276 30 40 FKEB Cc1ccccc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 8570930 FNHJBUDLXMMPEX-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1(C)C 84670899 KBQRTSPEVIKSDQ-IOASZLSFSA-N 358.894 5.364 30 40 FKEB CCCCCCCCCCCCCCCCC[C@H](O)CC[N+](C)(C)C 95681989 KKJWZPZEDCMDIZ-QHCPKHFHSA-N 356.659 6.705 30 40 FKEB CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)OCCCC 100298166 TWYGFFMOKNIFGX-RTWAWAEBSA-N 372.590 5.533 30 40 FKEB C(C#CC(c1ccccc1)(c1ccccc1)c1ccccc1)#Cc1ccccc1 105018980 NPRJSQDYXFNUGY-UHFFFAOYSA-N 368.479 6.076 30 40 FKEB CCN1c2ccc(/C=N/c3ccc(NC(C)=O)cc3)cc2[C@@H](C)CC1(C)C 198100602 SQLCEGKBLMZIAA-WTJYETQFSA-N 363.505 5.508 30 40 FKEB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCCC1 225852867 KXGOSFWIOWYNFU-KRWDZBQOSA-N 372.509 5.194 30 40 FKEB Clc1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 408848472 ZGARQFODXIAHOJ-KOEQRZSOSA-N 356.856 6.548 30 40 FKEB Cc1cccc2c(/C=N/CCNc3cccc4ccccc34)c(C)n(C)c12 409030250 DYOCDCSQJAQJEN-PCLIKHOPSA-N 355.485 5.479 30 40 FKEB Cc1cc(-c2cccs2)c(C#N)c(SCc2ccc(Cl)nc2)n1 664229 RHEGLVLSHDTYQB-UHFFFAOYSA-N 357.891 5.331 30 40 FKEB O=C1C(=C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1722463 VSSPDKAPHYFZNN-UHFFFAOYSA-N 356.424 6.489 30 40 FKEB CCCCCCCCNC(=O)c1ccc(/N=C/c2ccc(OC)cc2)cc1 3049818 SMKPDHLJQBHMNR-XIEYBQDHSA-N 366.505 5.536 30 40 FKEB N#Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 3228918 NVCAAASKKZZCNU-ZMOGYAJESA-N 353.337 5.294 30 40 FKEB Clc1ccc2nc(N/N=C/c3cccs3)nc(-c3ccccc3)c2c1 4862870 BXHYZVHIJYOZPS-CIAFOILYSA-N 364.861 5.458 30 40 FKEB CCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 5453759 APPKFQDEMVJRKQ-UHFFFAOYSA-N 368.484 5.389 30 40 FKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1C 5589071 MQESQKMWBLJCRI-MOSHPQCFSA-N 358.466 5.348 30 40 FKEB C=CCn1c(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n[nH]c1=S 5831494 WTKALAMTFYYBNF-UHFFFAOYSA-N 373.566 5.212 30 40 FKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 12662929 VCDATWNYLHWMLQ-XKZIYDEJSA-N 358.393 5.426 30 40 FKEB biogenic CCc1nc(C#N)c(NCc2ccc(Oc3ccc(Cl)cc3)cc2)o1 96346582 BYQMXXKADBQPCM-UHFFFAOYSA-N 353.809 5.166 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 100188727 XVIWDLVFFXSCFW-PCLIKHOPSA-N 363.480 5.830 30 40 FKEB Cc1cccc([C@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2)c1 225698928 CURQXNWDCLVKOK-JOCHJYFZSA-N 371.509 5.137 30 40 FKEB N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 408593568 QFZRPGVFJICPJT-KSEXSDGBSA-N 371.223 5.676 30 40 FKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 408737484 BMZHDONTIKOIKO-WPWMEQJKSA-N 368.455 6.651 30 40 FKEB Brc1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 409202247 QSOGHRFNXZYZPU-HYARGMPZSA-N 366.258 5.779 30 40 FKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c5c(cccc35)CC4)o2)cc1 1445633 IQHILNHSNNYGDY-ZVHZXABRSA-N 368.392 5.857 30 40 FKEB N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2Cl)cc1 4002809 XAZPQCJIUMSVBP-BUHFOSPRSA-N 369.855 5.780 30 40 FKEB Cc1cc(C)c(N/N=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1 4175563 ZNGIURVXRPUAAD-NCELDCMTSA-N 374.513 5.692 30 40 FKEB CSc1nc(Nc2ccccc2F)c(C#N)c(-c2ccc(Cl)cc2)n1 19820490 AKSAXNDUCMKATR-UHFFFAOYSA-N 370.840 5.273 30 40 FKEB O=C(/C=C/c1ccc(Br)cc1)c1cc(Cl)ccc1Cl 71976972 DYLKVHMFMWXLNT-FPYGCLRLSA-N 356.046 5.652 30 40 FKEB C[C@@H]1CC/C(=C/c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 104318004 OMLHTHDNMOEJMF-MVCXFYGJSA-N 357.280 6.459 30 40 FKEB Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1Br 727605 NNBFLLRUIMCUMZ-CAOOACKPSA-N 353.603 5.070 30 40 FKEB Cc1cc2c(cc1C)N[C@H](c1ccccc1O)C1=C(CC(C)(C)CC1=O)N2 1268617 BAYSEKHPPOKONC-JOCHJYFZSA-N 362.473 5.231 30 40 FKEB C=C(C)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 2194460 ILQIXLNTKOPEND-UHFFFAOYSA-N 351.519 5.670 30 40 FKEB CCCCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 2575518 KDECSHRKPUAALS-UHFFFAOYSA-N 358.478 5.928 30 40 FKEB Brc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 5513865 YNKJEPXRNLUKNI-UHFFFAOYSA-N 364.312 5.695 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 6340139 NZVZGKNJYMSNEW-RIYZIHGNSA-N 374.436 5.179 30 40 FKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1Cl 6927700 KEGDVYBYLHJCGP-IBGZPJMESA-N 364.807 5.387 30 40 FKEB Clc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)c(Cl)c1 16921113 GJXDHAHGAFVFJA-FMCGGJTJSA-N 351.236 5.845 30 40 FKEB CCCCCCCc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 100984490 DCGXYJKZUNRJQN-UHFFFAOYSA-N 370.449 5.369 30 40 FKEB CCc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408949651 BSEISACQTMSWLF-LZYBPNLTSA-N 357.045 5.118 30 40 FKEB CCCCCCCCOc1cc(Br)cc(Br)c1 675081756 LAWGWHRUQKVFOP-UHFFFAOYSA-N 364.121 5.951 30 40 FKEB Fc1cccc(-c2nc3cc(/N=C/c4ccc5c(c4)OCO5)ccc3o2)c1 3113117 CJBWDJOTMFGKPM-FOKLQQMPSA-N 360.344 5.113 30 40 FKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC 6959695 XVCABVMUVXZMEW-SRZZPIQSSA-N 352.261 5.850 30 40 FKEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 72229794 VXNBBORYKIOTDZ-JJFYIABZSA-N 372.881 5.400 30 40 FKEB C(/N=C\C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 104083223 HDDVPUSEVBKLHY-ANYBSYGZSA-N 373.499 6.979 30 40 FKEB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225750962 LWHCRUHKRKQLLL-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225846821 UJTMBXCQJCOCAS-IIBYNOLFSA-N 360.498 5.050 30 40 FKEB C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21 229884911 ZFIQRFCKNBMEDW-ARGWCVDVSA-N 372.295 6.385 30 40 FKEB CCc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409075980 ZWDWYADOJBHMIK-HZHRSRAPSA-N 351.902 6.804 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 409088758 YBGOKXVKTRHNNG-OFJBCHTGSA-N 367.474 5.430 30 40 FKEB CCCCCCCCCCCCCCCCCCN=c1ccnc(O)[nH]1 604940594 DIBZJSMEMQEOPU-UHFFFAOYSA-N 363.590 6.278 30 40 FKEB COc1ccc([C@@H]2CC(=O)C=C(Nc3ccccc3-c3ccccc3)C2)cc1 867364 CYHQVBZVKLDBEB-FQEVSTJZSA-N 369.464 5.805 30 40 FKEB N#Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1Cl 2774193 FGDVUVLPHIAUGZ-UHFFFAOYSA-N 360.844 5.372 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccccc3)cc1)C2 6044188 NRYGLDPNRYVYTN-MDWZMJQESA-N 353.465 5.720 30 40 FKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1Cl 8811669 CKXWZNOMGZFWTI-ZMOGYAJESA-N 372.299 5.525 30 40 FKEB C/C(=N/Nc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)cc1 13305986 PMSOXBWCLFLCHJ-JJFYIABZSA-N 356.882 5.060 30 40 FKEB C=CCc1cccc(CNc2nc3ccccc3n2CCCCCC)c1O 13714159 LZOTWRLXUPYRIP-UHFFFAOYSA-N 363.505 5.663 30 40 FKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc2ccccc12 15011786 MQERUOCAZASULP-LDADJPATSA-N 364.857 5.385 30 40 FKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1cccc([N+](=O)[O-])c1 100116857 WODGZOHRFCYUOC-BUVRLJJBSA-N 369.424 5.906 30 40 FKEB COc1ccc([C@H]2CC(O)=C/C(=N\c3ccc(Br)cc3)C2)cc1 104160677 AVSXKNASYVAHPL-GICLCMKGSA-N 372.262 5.550 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccccc1 409213438 VFECAIVJMCJDAO-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CCc1ccc(/N=C2/C(=O)N3c4c2cc(OC)cc4[C@@H](C)CC3(C)C)cc1 1411200 BDQLENSBJHOIPB-VSSLKNPCSA-N 362.473 5.011 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)C1 1959636 AROXDBPZQGMCNS-VIFPVBQESA-N 365.285 5.304 30 40 FKEB N#Cc1c(/N=C/c2c3ccccc3cc3ccccc23)sc2c1CCCC2 2892646 DFGQTRNZLUHOQA-CVKSISIWSA-N 366.489 6.556 30 40 FKEB Fc1ccc(CO/N=C/c2cccnc2Sc2ccc(Cl)cc2)cc1 3105157 QNXFGCKZROELAT-FSJBWODESA-N 372.852 5.576 30 40 FKEB Oc1ccc(/N=C/c2ccc(F)c(F)c2)cc1/N=C/c1ccc(F)c(F)c1 3241325 LNIVWQWIAMJGJJ-CVWNTLDFSA-N 372.321 5.450 30 40 FKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2)cc1 4948697 VFXGMDMZFHYUPU-QFIPXVFZSA-N 369.468 5.054 30 40 FKEB O=C(O)c1cc(N/N=C/c2ccc(Oc3ccccc3)cc2)ccc1Cl 5788830 LXLMRWWIDOANEE-LPYMAVHISA-N 366.804 5.277 30 40 FKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 6635651 PLIZHJLHWSEQNW-CQSZACIVSA-N 368.502 5.176 30 40 FKEB CCCCCCCCCCOc1ccc(C(=O)NCc2ccco2)cc1 8397604 ROEXWPJKVJRJAS-UHFFFAOYSA-N 357.494 5.729 30 40 FKEB CCCCCCCCCOc1ccc(-c2ccc(C(=O)OCC)cc2)cc1 8453724 CAJNCNHXTYBDKB-UHFFFAOYSA-N 368.517 6.660 30 40 FKEB CC[C@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C1 16636861 NQKMPWCUVMNGNF-NSHDSACASA-N 370.283 5.501 30 40 FKEB O=C(/C=C\c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 31872611 XQZXRYFHQGNJJS-HMQSQOOHSA-N 354.405 5.202 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(C(F)(F)F)c2)cc1 44843197 UXFCXDMSBQKNJJ-VAWYXSNFSA-N 363.379 5.693 30 40 FKEB CC/C(C)=N\Nc1nc2c(cc(C)c3nc(N/N=C(/C)CC)sc32)s1 57327740 RFWLWVRHWRVULA-JTMCVSSMSA-N 374.539 5.610 30 40 FKEB Cc1cc(N2[C@H]3CC[C@@]2(C)CC(C)(C)C3)n2c(nc3ccccc32)c1C#N 102155382 SVWMVURDYHFUDW-HJPURHCSSA-N 358.489 5.215 30 40 FKEB CCCc1c/c(=N\c2ccc(C(C)C)cc2)n2c([nH]c3ccccc32)c1C#N 102800662 FFIQPKBXYORMRI-WNAAXNPUSA-N 368.484 5.601 30 40 FKEB C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)o1 103857915 NMIKFJVONSKILC-YZSQISJMSA-N 366.420 6.527 30 40 FKEB CC(C)[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C 198054605 DBGXZRJLWZEWHK-UHFFFAOYSA-N 361.344 6.160 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 219801388 JNYKHMBSRCDWHA-UHFFFAOYSA-N 371.811 5.889 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 408738248 SQAIEYBUMLBLLB-SSDVNMTOSA-N 371.799 5.545 30 40 FKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 2453486 ZWAXUNUCAWPDMV-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB Cc1cccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c1 9419981 HQIIVVLMZOYIPE-BKUYFWCQSA-N 362.425 5.097 30 40 FKEB Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccccc2)cc1 15979742 CKDPAQMRGIZDGB-OEAKJJBVSA-N 372.380 5.213 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1CCCO1 85923736 GIPDEPRRXIBGNF-DGSRBQDKSA-N 366.586 6.746 30 40 FKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 95099941 NFIJRJJFEMDZJR-JFMUQQRKSA-N 374.356 5.004 30 40 FKEB Cc1ccc2sc(-c3ccc(/N=C4\C=C(O)CC(C)(C)C4)cc3)nc2c1 102430536 ZOGPDJXUMCWFAX-HAVVHWLPSA-N 362.498 6.606 30 40 FKEB C=CCOc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 408736245 NQEIFKIMIQNJRP-GPXNEJASSA-N 353.465 6.231 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2F)cc1OC 409375703 ODKCUQZZMSLNII-WMJRALALSA-N 353.796 5.555 30 40 FKEB N#Cc1nc([C@@H]2C[C@@H]2c2cccc(F)c2)oc1NCc1ccccc1Cl 1775977536 ZKKBEFMVPQBRNJ-HZPDHXFCSA-N 367.811 5.222 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(N)=O)C1 792077 GWCPBGBMRHUHIY-HKNSOBRKSA-N 374.937 5.402 30 40 FKEB C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 1467963 IAPYSWIZQDUDLY-UHFFFAOYSA-N 358.489 5.023 30 40 FKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 2842393 FSKUVTXSZTZMPW-JFMUQQRKSA-N 374.356 5.004 30 40 FKEB O=C1/C(=C/c2ccccc2)CC[C@H]1C[C@@H]1CCC[C@H](C2=CCCCC2)C1=O 4026249 HWZZEAVSPCVWGA-RKWPIGEFSA-N 362.513 5.925 30 40 FKEB CCOc1ccc(-c2cs/c(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)[nH]2)cc1 5593083 RSXRHTIMHWWGGB-HUUWMEHWSA-N 369.534 5.245 30 40 FKEB CC(=O)c1ccc(/N=C2\c3ccccc3CN2c2ccc(C(C)=O)cc2)cc1 17128158 BITDAUFPEKDVLP-OCOZRVBESA-N 368.436 5.190 30 40 FKEB CCN(Cc1ccccc1)c1nc(SC)nc(-c2ccc(C)cc2)c1C#N 19820418 LMTPQWUXVDZODH-UHFFFAOYSA-N 374.513 5.072 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3C(F)(F)F)c2C#N)C1 24774938 GTUBHVIDEZUSPD-SNVBAGLBSA-N 364.392 5.016 30 40 FKEB CSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 26896845 UVPZUWPGBCNCAX-MRXNPFEDSA-N 374.914 5.545 30 40 FKEB C[C@H]1CCC[C@@H](C)N1CC#CCCCCC#CCN1[C@H](C)CCC[C@H]1C 67194110 WHEUQNRQTPXCSA-YCAMKHIRSA-N 356.598 5.079 30 40 FKEB CCCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O 73371136 MDYDMMGYPKQVFN-UHFFFAOYSA-N 362.554 6.466 30 40 FKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H]1CO1 100299975 MPHZZARYNGUYDH-UFYCRDLUSA-N 354.531 5.177 30 40 FKEB CCCCCCCCCCCCCCCCCC1=NCCCN1CCO 100307624 GHWPSBBFDDROPZ-UHFFFAOYSA-N 366.634 6.344 30 40 FKEB CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@]5(CO5)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 118918321 DWXSJAAPPYYVFJ-AQBRPVJQSA-N 360.582 5.575 30 40 FKEB CCN1c2cc(C)c(/C=N/c3ccc(C(C)C)cc3)cc2[C@@H](C)CC1(C)C 198102850 CYPCQVKNWFAIQX-JHKMYFMNSA-N 362.561 6.981 30 40 FKEB Cc1ccc([C@@H](NC(=S)Nc2ccc(CC#N)cc2)C(C)C)c(C)c1 225764269 WDQBCAPLKFWMRP-FQEVSTJZSA-N 351.519 5.053 30 40 FKEB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@H](C)C1 260834514 MRDFUYCKUFRYGT-GSHUGGBRSA-N 372.509 5.050 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)cc1 408761892 HRWQXAPULHNATO-CFRMEGHHSA-N 371.311 6.714 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1ccccc1-c1nc2ccccc2s1 1950647 YSJXEONDOOKZRE-WSDLNYQXSA-N 364.857 6.073 30 40 FKEB Cc1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O 4616645 USKWMMDZVFQPLL-FSJBWODESA-N 362.816 5.913 30 40 FKEB O=C(O/N=C1\CCCC\C1=C\c1ccccc1)c1ccc(Cl)c(Cl)c1 8656137 YSTDIKUIUMSQMQ-VZWFNZPKSA-N 374.267 6.164 30 40 FKEB CSc1nc(Nc2ccc(C(C)(C)C)cc2)c(C#N)c(-c2ccccc2)n1 19820770 BEGVCVBFUVPFOG-UHFFFAOYSA-N 374.513 5.778 30 40 FKEB O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)Oc2ccc3ccccc3c21 100914097 KPWHGMYAKUUHDR-BOPFTXTBSA-N 355.315 5.387 30 40 FKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 253568855 LSQNXCHDWJXDRA-JOCHJYFZSA-N 364.464 5.462 30 40 FKEB O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 409354136 YWNTWEANPCWHOP-VOTSOKGWSA-N 360.162 5.821 30 40 FKEB N#Cc1cc(Oc2cccc(-c3cnc4ccccc4n3)c2)nc2ccccc12 991098 XQMFQSDZWBMIOJ-UHFFFAOYSA-N 374.403 5.509 30 40 FKEB Cc1ccc(C)c(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 4175531 OJGOAILLUYYYHO-JJIBRWJFSA-N 366.877 5.420 30 40 FKEB Cc1[nH]c2ccccc2c1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 4934699 AUPWCNZTLKLQLN-LSFURLLWSA-N 351.759 5.595 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccccc1F 5007382 KXRDJMHKPJFNEN-ACCUITESSA-N 362.400 5.309 30 40 FKEB aggregator O=[N+]([O-])c1ccccc1/N=N/C(Cc1ccccc1)=N/Nc1ccccc1 16979437 ANLKBRPGHYSLRU-FWOYJBNGSA-N 359.389 5.347 30 40 FKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 20509910 IRSSRBJGHBHGMI-HJPURHCSSA-N 356.425 5.259 30 40 FKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1O 35189662 HAEZVIADSYLZDY-CIAFOILYSA-N 373.840 5.003 30 40 FKEB CCCCCCCCCCCC(=O)OC/C=C\COC(=O)c1ccccc1 104192838 YODDRCLEGMPMSY-PFONDFGASA-N 374.521 5.864 30 40 FKEB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCCC1 225852765 BMDAPIPAZHEIRE-UHFFFAOYSA-N 372.509 5.051 30 40 FKEB O=[N+]([O-])c1ccc(Br)c2cccc(C=Nc3ccccc3)c12 245241196 YTROOTGTGLIWOO-UHFFFAOYSA-N 355.191 5.261 30 40 FKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cc(C)c(C)cc3C)S2)c1 408721299 OCEIWWLOJDXUCD-ODLFYWEKSA-N 350.487 5.120 30 40 FKEB Clc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408853689 QPNVCKBWRUTVHJ-NDENLUEZSA-N 359.654 5.644 30 40 FKEB Cc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408973749 BJQZPMOCNFTHCR-FSJBWODESA-N 369.380 5.802 30 40 FKEB Cc1oc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c(C#N)c1C 409091477 QTQSHZUOPHZXIZ-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)s1 530674792 INRQIKRROJCTIQ-UHFFFAOYSA-N 361.451 5.149 30 40 FKEB COc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O 793503 YBFZKTRJXLAVMG-ZMOGYAJESA-N 372.424 5.576 30 40 FKEB CCCCCCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21 2188321 SOYHSEDTYGHQGB-UHFFFAOYSA-N 365.420 5.119 30 40 FKEB CCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 100052375 HXMBKUTXMKATOZ-RHWZNEOSSA-N 363.505 7.037 30 40 FKEB CCS/C(=N\c1ccc(-c2nc3ccc(C)cc3s2)cc1)SC 105913148 MUDKTFIFWFKIET-HNENSFHCSA-N 358.557 6.375 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@@H]1C 108843664 HBJNHROHBMWODL-IFIJOSMWSA-N 362.926 5.238 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408965394 GUYJUBOAJWXWBU-WGOQTCKBSA-N 372.512 6.345 30 40 FKEB CCOc1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409238850 LPCJIVYUVPCLSY-WGOQTCKBSA-N 372.443 5.978 30 40 FKEB C/C(=N\OCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1cccs1 709130 DQBHHDSAYLGYRT-PXLXIMEGSA-N 358.507 5.374 30 40 FKEB N#Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 717837 AQJZRBIYOLMZEG-UHFFFAOYSA-N 367.477 5.908 30 40 FKEB CSc1ccc(/C=N/c2ccc(C)c(I)c2)cc1 861768 MUCKLHUMYVJMNG-LICLKQGHSA-N 367.255 5.072 30 40 FKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCCCC2)ccc1Cl 1441606 XTJLJMWTPJVGOX-UHFFFAOYSA-N 351.837 5.174 30 40 FKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 2233823 IFZPXXAQSWXPIK-UHFFFAOYSA-N 365.380 5.035 30 40 FKEB O=C(Nc1ccc(F)cc1F)c1ccc(/C=N/c2ccc(F)cc2F)cc1 3292492 ANDXJJWNXPBFNY-OPEKNORGSA-N 372.321 5.246 30 40 FKEB Fc1c(F)c(F)c(N/N=C/c2ccc(Cl)cc2Cl)c(F)c1F 5567857 BBTQVBORLBFCNQ-IPBDZQFASA-N 355.093 5.135 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 15657721 OVKSHCIVDWZSJD-ZYCYNAJASA-N 371.521 5.267 30 40 FKEB CCCCCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 50860320 KFYJEPHZMQTQMI-UHFFFAOYSA-N 352.478 5.691 30 40 FKEB C/C(=N/OC(=O)c1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 59520208 JFFIBGFBODDXEB-QQXSKIMKSA-N 365.432 5.673 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2ccc(F)cc2F)cc1 97980695 XDYNMSKGIGADBA-LFVJCYFKSA-N 360.448 6.150 30 40 FKEB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1C[C@@H]3C#N 104056382 FILZRTOLEMCSFG-VXPALWEYSA-N 355.522 5.426 30 40 FKEB O=C1C(O)=C/C(=N/c2cc(C(F)(F)F)ccc2Cl)c2ccccc21 105408993 YDQZCHUSJBYKRV-XKZIYDEJSA-N 351.711 5.118 30 40 FKEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916104 OEFVYGZGLIGBOP-QNVBHGCDSA-N 366.549 5.415 30 40 FKEB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C#N 225854757 HZKZHDOELJREQM-VGSWGCGISA-N 372.509 5.051 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC 409381900 ORMXHTYPHQUDDA-VTGBELTLSA-N 366.288 6.238 30 40 FKEB Cc1cccc(C)c1/N=C1\S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C 1007951 RKRUBLFSINPGIC-UXTWZOPHSA-N 361.470 5.019 30 40 FKEB CCCCc1ccc(NC(=O)On2c3ccccc3c3ccccc32)cc1 1574622 ADTURJBNPGLBDV-UHFFFAOYSA-N 358.441 5.798 30 40 FKEB O=C(c1c[nH]c2ccccc12)[C@@H]1O[C@@H]1c1ccc(-c2ccccc2Cl)o1 3305491 BQBAEIAKXXMNPO-RTWAWAEBSA-N 363.800 5.404 30 40 FKEB C/C(=N/OCc1ccc(C)cc1)c1cccc(N2Cc3ccccc3C2)c1 4051086 GAGHQIWHICVWEM-PLRJNAJWSA-N 356.469 5.456 30 40 FKEB CCc1cc2c(cc1C(=O)/C=C\c1cccs1)C(C)(C)CCC2(C)C 33374236 LFZMOFCOCVBLRY-KTKRTIGZSA-N 352.543 6.556 30 40 FKEB CCCCCCCCCCCCCCCCn1c(C=O)nc2ccccc21 100757156 GDUOVWQWGLFACP-UHFFFAOYSA-N 370.581 7.330 30 40 FKEB CCCCCCCCN1CCN(CCCCCCCC)[C@H]2CCCC[C@@H]21 104340068 NZDPNEQUECZGAX-ZEQRLZLVSA-N 364.662 6.636 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccccc1Br 108101387 KRGLOXQZLGQSFT-MTJSOVHGSA-N 361.258 5.247 30 40 FKEB Cc1cc(C=Nc2ccc(O)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 245204307 RBGZUQSSGZPMLS-UHFFFAOYSA-N 359.256 5.857 30 40 FKEB C=C[C@](C)(O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC(C)=O 245333791 ATQYAMUGIFHJOX-MMGCJVFTSA-N 350.543 5.268 30 40 FKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)cc1Cl 408663363 RWNDWNWKWVVADK-WSDLNYQXSA-N 364.836 5.241 30 40 FKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 408849509 WKQUUOAMGLYHFF-XYGWBWBKSA-N 373.887 6.289 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2C(C)C)cc1 408910685 IXQDSUZBAZIJCU-FTIPTLOASA-N 370.905 5.661 30 40 FKEB Cc1ccsc1/C=N/c1ccc(/N=C/c2sccc2C)c([N+](=O)[O-])c1 4119187 HSXHAPISFAJLFU-ROUMAOROSA-N 369.471 5.836 30 40 FKEB Cc1cccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 4473816 IICIWUKWIQWYTG-LPYMAVHISA-N 357.369 5.462 30 40 FKEB CN1/C(=C/C(=O)COc2ccc(Cl)cc2Cl)Sc2ccccc21 5008919 XDJIJKKPPKINAT-MFOYZWKCSA-N 366.269 5.025 30 40 FKEB O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccc(Cl)c(Cl)c1 6928364 DIESFIKCEWDMAH-UHFFFAOYSA-N 372.295 5.629 30 40 FKEB N#Cc1c(-c2ccccc2C(F)(F)F)cc(-c2ccc(Cl)cc2)[nH]c1=O 8873826 PFUNDMSNTFSJSC-UHFFFAOYSA-N 374.749 5.253 30 40 FKEB N#C[C@]1(c2ccccc2)CCc2nc3ccccc3c(-c3ccccc3)c2C1 12546876 ASSSEQNBKDMYNC-SANMLTNESA-N 360.460 5.852 30 40 FKEB O=C1C[C@@H](c2ccccc2)S[C@@H](c2ccccc2)/C1=C/c1ccccc1 28617235 APOLUKMMVZLGCM-MOVXLXCVSA-N 356.490 6.259 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1 105453586 DCAYDEQIXDZGSZ-UHFFFAOYSA-N 366.933 5.316 30 40 FKEB C=CCc1cc(/C=N\c2ccc(Cl)c(Cl)c2)cc(OCC)c1O 408845199 LNAGBKYPTKBLJV-NHDPSOOVSA-N 350.245 5.577 30 40 FKEB CCCN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1ccc(Cl)cc1 409082137 RSCSWXOOKWSMOY-HATACVMWSA-N 372.877 5.060 30 40 FKEB Cc1cc(/C=N/c2ccc3ccccc3c2)c(O)c(Br)c1C 1434363 BCGBRLLUWLVASZ-SRZZPIQSSA-N 354.247 5.675 30 40 FKEB N#CCCn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 2182531 DMUBDVVCPYUCHV-UHFFFAOYSA-N 372.471 7.042 30 40 FKEB N#CCOc1ccc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc1 4975186 ACERGHXZQNGUCY-QMTMVMCOSA-N 371.267 5.722 30 40 FKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(NC2=NCCCS2)cc1 5692527 VXEUAFXKNPCCCA-BJMVGYQFSA-N 356.878 5.141 30 40 FKEB CC(C)[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccccc1 12526845 MTGSJPIBZBASKF-XIQMRYHBSA-N 371.484 5.082 30 40 FKEB O=C(C1=CS[C@@](Cc2ccccc2)(c2ccccc2)S1)c1ccccc1 20068818 KKQLWAMIKXJFAG-HSZRJFAPSA-N 374.530 6.286 30 40 FKEB CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCC 72399568 OQNWHOCKDMLTSP-LEWJYISDSA-N 371.606 5.106 30 40 FKEB in-vitro Cc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCS2)cc1 104809896 MNUCOEPRCPNZNX-VAWYXSNFSA-N 366.507 5.152 30 40 FKEB O[C@]12CCCC[C@H]1[C@@H](c1ccccc1)[C@H]1CCC[C@H]2/C1=N/Nc1ccccc1 105334897 QYOXYFORJPSJMA-OKBUHSMTSA-N 374.528 5.590 30 40 FKEB Oc1c(C=Nc2ccc(Br)c(Cl)c2)ccc2ccccc12 260840660 WFZAUSVKPJSZIL-UHFFFAOYSA-N 360.638 5.712 30 40 FKEB C=CCOc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409049905 YOJDKCUAAXDRPS-VXLYETTFSA-N 351.189 5.217 30 40 FKEB O=C(O)c1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 3081472 VCGBGNGJKNCNOW-YDZHTSKRSA-N 365.816 5.368 30 40 FKEB Cc1ccc2[nH]c(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc2c1 3112953 CYZDTQXZDBBDQL-FSJBWODESA-N 361.832 5.648 30 40 FKEB Clc1ccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)cc1Cl 3113877 NXKQZASWJGCOGS-FSJBWODESA-N 367.235 6.552 30 40 FKEB CCN(CC)c1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 3161950 JHYAKDOFLIUZKC-NLRVBDNBSA-N 369.512 6.411 30 40 FKEB Fc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(F)cc4)cccc23)cc1 3194030 RGGQDKYQWSWGKS-DPCVLPDWSA-N 370.402 6.619 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 3226172 NHVLHQFCPVSMLE-UHFFFAOYSA-N 363.288 6.083 30 40 FKEB CC(C)(C)c1ccc(C(=O)ON=C2CCCCCCCCCCC2)cc1 4118221 WSUSHFNMLGOAAM-UHFFFAOYSA-N 357.538 6.802 30 40 FKEB CCN1/C(=C/C(C)=N\c2ccccc2)Oc2ccc(-c3ccccc3)cc21 4579155 KQMVUWZYZZFEPU-PAADJVFPSA-N 354.453 6.206 30 40 FKEB O=C1/C(=N/Nc2ccc(Cl)cc2Cl)Sc2c1ccc1ccccc21 6536470 JRMWORYXRVEYGH-PYCFMQQDSA-N 373.264 5.861 30 40 FKEB O=C(/C(=N/N=C/c1cccc2ccccc12)c1ccccc1)c1ccccc1 6566145 ZQCLREBIUQWPCP-HTBZSNLMSA-N 362.432 5.546 30 40 FKEB O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)OCO2 7743800 ZBYGMEMEPZIXFE-VOTSOKGWSA-N 369.829 5.088 30 40 FKEB Cc1cc(Cl)cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 8336059 NXWOONOABJZBPZ-BBTUJRGHSA-N 350.849 5.377 30 40 FKEB CCCCCCCCCCCCCCCCNC(=O)c1ccccc1F 8385845 HDVSUOLVDGFSCX-UHFFFAOYSA-N 363.561 7.037 30 40 FKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 32100544 VCEFXTPXDZRFTD-FOCLMDBBSA-N 363.844 6.331 30 40 FKEB c1ccc2c(c1)/C(=N/Nc1cccc3ccccc13)c1nc3ccccc3nc1-2 35467957 PJXOYGKVHRLHIC-OLFWJLLRSA-N 372.431 5.628 30 40 FKEB C[C@H](Oc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1)C(=O)O 59678593 KLZQVDOONOQTGG-PFRBSUFTSA-N 351.446 5.337 30 40 FKEB C[C@H]1[C@H]2C/C(=N/Nc3nc(-c4ccc(Cl)cc4)cs3)[C@@H](C2)C1(C)C 103663362 PMOPGEDYCSIGCV-WHAYNTJASA-N 359.926 5.934 30 40 FKEB Cc1ccc2nc(-c3ccc(Nc4ccc(N)cc4C#N)cc3)sc2c1 408712600 AHIUOANZSJWFMN-UHFFFAOYSA-N 356.454 5.469 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 408736119 GHVXURDUJZEDBJ-GIWBLDEGSA-N 352.437 5.569 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 408744577 YOSXQEKTEVZWOC-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB Cc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1Cl 408847957 OMTVBWSOFPQYND-SSDVNMTOSA-N 353.805 5.666 30 40 FKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408852579 UMLCDASQUQANDU-MFOYZWKCSA-N 367.861 5.021 30 40 FKEB CCCOc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409044047 APYPIIJXPFFTMC-VXLYETTFSA-N 353.205 5.441 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C#N)cc3)o2)c(Br)c1 409231841 MUNYPCLYDGETER-WSDLNYQXSA-N 365.230 5.640 30 40 FKEB Cc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 948980 PDHLKQXCFQFEMM-UHFFFAOYSA-N 371.223 5.686 30 40 FKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1cccc2ccccc12 3115443 MZLLQXKCALLVHO-UFFVCSGVSA-N 354.793 5.474 30 40 FKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCCCC2)cc1Cl 6402940 SLNFKIPBSVBAQH-LJQANCHMSA-N 367.880 5.450 30 40 FKEB Cc1occc1/C(S)=N\c1ccc(Cl)c(/C=N/OC2CCCC2)c1 6483665 BQUDVOCALIHNLE-RGVLZGJSSA-N 362.882 5.543 30 40 FKEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1cccc(Oc2ccccc2)c1 12652539 SQLZDDFTIBRJDY-HZHRSRAPSA-N 371.465 5.887 30 40 FKEB O=C(Nc1ccc(Cl)cc1)N1CCCCC/C1=N\c1ccc(F)cc1 13302109 LILKRNXZBOZZOR-RELWKKBWSA-N 359.832 5.617 30 40 FKEB C=CCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 14396857 NXZDZHMVNRKVAH-UHFFFAOYSA-N 359.425 5.468 30 40 FKEB O=C(/C=C/c1ccccc1)c1c(OCc2ccccc2)ccc2ccccc12 33376559 YDLIXDZCGHDVMB-BMRADRMJSA-N 364.444 6.315 30 40 FKEB CCC(=O)O[C@H]1CCC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 33679693 VBXGBFDLNSIXQO-OBGHECQKSA-N 358.522 5.230 30 40 FKEB C/C(=C\C(=O)C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 100094426 FWIHODFRGUSGOW-QHHAFSJGSA-N 365.195 5.171 30 40 FKEB O=C(/C=C/c1ccccc1)/N=C1\c2ccccc2CN1c1ccc(Cl)cc1 102947702 ZOKLKQIVXZWVEI-TXWIMSGXSA-N 372.855 5.347 30 40 FKEB C=CCOc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807472 WDVLPHVRDTTXHO-UHFFFAOYSA-N 368.546 5.294 30 40 FKEB CC(=O)c1cccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408942220 WUCDABBBEBWCDJ-ZMOGYAJESA-N 356.347 5.449 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2O)cc1OC 409382990 PWVMRBFSDQTJRZ-VARIZKOUSA-N 368.260 5.636 30 40 FKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 2415166 IIHQVNYORKMBDX-UHFFFAOYSA-N 364.518 5.116 30 40 FKEB Cc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3ccc(F)cc3)cc2)cc1 2707077 OPTDGNQIEYFKIC-NZTOXLHLSA-N 359.400 5.504 30 40 FKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3ccccc32)cc1 6315206 KRLOZNAOQWYWJM-UHFFFAOYSA-N 355.466 5.498 30 40 FKEB Cc1ccccc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 8992369 KZBMHKAFNGTRAK-NRXDDIFHSA-N 368.432 5.703 30 40 FKEB COc1ccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 12630780 LFRZMITTYZYKCR-DNQXCXABSA-N 367.452 5.111 30 40 FKEB C=C[C@](C)(O)CC[C@@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@]21C 13590772 ATQYAMUGIFHJOX-BGJPATFMSA-N 350.543 5.268 30 40 FKEB CCc1cccc(C)c1N/C(C)=C/C(=O)c1ccc(Br)cc1 32100481 QKZXHUHSYYXXAW-WYMLVPIESA-N 358.279 5.519 30 40 FKEB c1ccc(-c2csc(NN=C3c4ccccc4-c4ccccc43)n2)cc1 35653534 HFZMTEQTEYMYEZ-UHFFFAOYSA-N 353.450 5.655 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 100070172 SNDQGJLUXUXWSL-ZVHZXABRSA-N 359.473 5.420 30 40 FKEB CCCCCCCCNCc1ccccc1OCc1ccccc1Cl 102562111 XMYJVHPRPUMLJD-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB Cc1c(Br)c(/C=N\C2CCCCC2)c(C)n1-c1ccccc1 408854322 CLJVZHAPMDNXBU-BKUYFWCQSA-N 359.311 5.608 30 40 FKEB CC(C)CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2195478 GFRWYTJECXAAIU-UHFFFAOYSA-N 358.510 6.425 30 40 FKEB C=C(C)CN/N=C1\CC(C)(C)Cc2nc(CC)c3c([nH]c4ccccc43)c21 5470441 AIBLTCZJJGTNDD-ZXVVBBHZSA-N 360.505 5.121 30 40 FKEB biogenic CC[C@](C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 6371526 AHWYAIGADCNSTP-VWLOTQADSA-N 368.480 5.201 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)o1 22016434 KFNXQMWSHZVPRI-IZZDOVSWSA-N 365.816 5.390 30 40 FKEB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(F)c1C#N 109989279 HLGYOXNTBLFNSP-UHFFFAOYSA-N 371.824 5.035 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccccc2Oc2ccccc2)C1 408563262 KJBUAMSWUGGJCA-ZELAZJAISA-N 363.501 6.580 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1 409052097 QHXLHVJNWGXHKR-UFFVCSGVSA-N 363.273 5.348 30 40 FKEB C=CCSc1nc(-c2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2347725 MALCSDLXQJNNEZ-UHFFFAOYSA-N 368.527 5.488 30 40 FKEB CCCCOc1ccc(/C=N/c2ccc(/C=C/C(=O)OCC)cc2)cc1 4281070 YTHHDEGKTDSWIO-GOTGCJRDSA-N 351.446 5.192 30 40 FKEB S=c1[nH]ncn1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 6982475 NIJUQCVJPPMUDK-HZHRSRAPSA-N 371.469 5.293 30 40 FKEB CCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 8397398 KIKWROWJMGIRHU-UHFFFAOYSA-N 370.581 6.309 30 40 FKEB CCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 8993050 PQZVHUZQJJEIAT-LLVKDONJSA-N 356.457 5.625 30 40 FKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)/C=C/c2cccs2)c1 12542273 IARUFECXJLGGSL-WJBNLIIASA-N 370.543 5.420 30 40 FKEB Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 13126146 VTMMMXJPBSEINH-FOKLQQMPSA-N 368.786 5.415 30 40 FKEB CCCCN(CCCC)c1nc(-c2ccco2)c2c(c1C#N)CCCC2 20827222 KTPKLZOLINSREV-UHFFFAOYSA-N 351.494 5.499 30 40 FKEB N#Cc1ccccc1-c1ccc(C[n+]2ccc(Cc3ccccc3)cc2)cc1 79047020 OOJKGDAKLQXKNS-UHFFFAOYSA-N 361.468 5.152 30 40 FKEB CCCCCCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1 100310641 CMUAZOCPWSISRQ-UHFFFAOYSA-N 368.583 6.401 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1 408591765 KHFCOACVPBYOGP-UDWIEESQSA-N 368.414 5.198 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc([C@@H](C)CC)cc2)c1C 408961346 RUJNKQUKAPHRTK-CICSQNLLSA-N 372.556 7.229 30 40 FKEB Cc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1225536 HYMYHVWDCAAIKH-MFKUBSTISA-N 355.416 5.737 30 40 FKEB C=CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1771695 CUGBIWROSFZFSS-UHFFFAOYSA-N 370.404 5.817 30 40 FKEB Cc1ccc(-c2nnc(OCc3ccccc3C#N)c3ccccc23)cc1 3427562 CHJMLAQULYWAFG-UHFFFAOYSA-N 351.409 5.056 30 40 FKEB CCCCCCCCCCCC[C@@H]1OC(=O)c2c(OC)cc(OC)cc21 8399070 OADUPWXLPAKTBT-IBGZPJMESA-N 362.510 6.226 30 40 FKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCC(C)C)o3)o2)cc1C 39404146 VESOTYDVPAQJTF-UHFFFAOYSA-N 365.433 5.070 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(NC(C)=O)cc2)c1C 408967316 PWSRHDXTXFSZHS-BUVRLJJBSA-N 359.473 5.366 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)cc3Cl)ccc21 2057078 NDTZLPSKDNLSMH-ZMOGYAJESA-N 367.279 6.872 30 40 FKEB Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 4827638 RNRHRLGDPRGNCX-YDZHTSKRSA-N 374.831 5.102 30 40 FKEB C=CCOc1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 4975172 ZFIQRFCKNBMEDW-YRVVQQKDSA-N 372.295 6.385 30 40 FKEB O=P1(NN=C2CCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 5602937 HOHTUIDDGYRMJG-UHFFFAOYSA-N 364.385 5.812 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 8084950 XRRJMXCBGCHJOJ-LFVJCYFKSA-N 358.441 5.017 30 40 FKEB c1ccc(/C(=N\N=C(/c2ccccc2)c2cccs2)c2cccs2)cc1 17377381 RYRZNIKWTXINJZ-MBALSZOMSA-N 372.518 6.100 30 40 FKEB F/C(=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 100046675 UGHJWZHBCXGSAY-UPHRSURJSA-N 350.049 5.168 30 40 FKEB O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 100467637 NPGQDHORGPOZSS-JWURABDDSA-N 350.643 5.085 30 40 FKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Nc3ccccc3)cc2)C1 408563359 LJQQQQNNLNRZHM-QZZNQRLBSA-N 362.517 6.531 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)c(C)c1 408931732 PNBOUNKINLTTOW-QFEZKATASA-N 374.484 5.557 30 40 FKEB COc1cc(C)c(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1C(C)C 408976243 ADIRTWRPQLZWNY-UHFFFAOYSA-N 357.457 5.140 30 40 FKEB O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 1680121 NKAYBLHJUYBILQ-LJQANCHMSA-N 350.805 5.417 30 40 FKEB Cc1nc(-c2ccccc2)nc(N/N=C/c2c(O)ccc3ccccc23)c1C 4595686 SAWMATWOCYMQJN-ZVHZXABRSA-N 368.440 5.065 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2Cl)cc1 8278019 NGXOZBVJHOGKKS-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB CCCCCCC(=O)/C=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 17105367 AGAGOSQRYHBTIQ-QINSGFPZSA-N 372.486 5.007 30 40 FKEB [N-]=[N+]=Nc1ccc(/C=C2/CCC/C(=C/c3ccc(N=[N+]=[N-])cc3)C2=O)cc1 31319885 UZNOMHUYXSAUPB-MCOFMCJXSA-N 356.389 6.790 30 40 FKEB Cc1cc2c(cc1/C=N/c1ccc(O)cc1)[C@H](C)CC(C)(C)N2C(C)C 223591446 USANHWOCKAIYSS-PTZPRWATSA-N 350.506 5.952 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 225848356 DHOJJKRMFMGIRC-OAQYLSRUSA-N 360.498 5.051 30 40 FKEB CCCCC[C@@H](F)/C=C/[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)O 252461259 LQQORSBLZLAVKX-VDTPOSAZSA-N 355.494 5.743 30 40 FKEB C[C@H]1CCc2c(sc(/N=C/c3cc(Br)cs3)c2C#N)C1 1057978 IBGBNNLBDKBFOM-LLADZKGESA-N 365.321 5.319 30 40 FKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Br)cc1 1093681 YCMGIKXQYOLNDT-UDWIEESQSA-N 354.251 5.002 30 40 FKEB CC(C)CCOc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 5613868 DTWFSDSQPSPYGW-CIAFOILYSA-N 351.277 5.864 30 40 FKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(C)cc1 6961249 CWIKUTBYWRHLEL-PCLIKHOPSA-N 359.469 6.032 30 40 FKEB COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 8733358 RMPIKAZLSIGIBQ-APSNUPSMSA-N 372.420 5.119 30 40 FKEB FC(F)(F)c1ccc(Cl)c(/N=C2\SCCN2c2ccccc2)c1 13138600 VXYJUALJRNGQMB-QNGOZBTKSA-N 356.800 5.600 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccccc2Cl)cc1 16450751 ZNQMOWMODJEGLB-ZBJSNUHESA-N 351.793 5.113 30 40 FKEB CCCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 97953050 WRNNSRJKZMNNBY-UHFFFAOYSA-N 373.544 7.187 30 40 FKEB Clc1cc(/N=C/c2cccc3ccccc23)ccc1N1CCOCC1 100384176 LMEMBYWTYOSGBM-HZHRSRAPSA-N 350.849 5.080 30 40 FKEB O=C1/C(=C\Nc2cc(C(F)(F)F)ccc2Cl)Sc2ccccc21 100845926 UEOIGHZLDOSPRU-RIYZIHGNSA-N 355.768 5.601 30 40 FKEB CCCCCCCCCC[C@@H](SCC)C(=O)c1cc(C)ccc1O 100931369 GZGKWQBLAILRFW-HXUWFJFHSA-N 350.568 6.536 30 40 FKEB CCc1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)cc1 1473006 WUKDKDKAQJZUGD-UHFFFAOYSA-N 354.457 5.789 30 40 FKEB CC#CC(CCCN(C)Cc1ccccc1)(c1ccccc1)c1ccccc1 1745179 SFRBWVMDCABPND-UHFFFAOYSA-N 367.536 5.908 30 40 FKEB O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccccc1 2106400 ZQEMDHRHIVJUIN-VIBAAIGISA-N 368.388 5.078 30 40 FKEB biogenic CN(C)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 4083801 WXCMZDUVAYRTIW-KGENOOAVSA-N 368.278 5.056 30 40 FKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 5425879 PNSLDFSWGWJLPV-YMGUWVMPSA-N 370.478 5.332 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 5902767 QBYQPNPPUJBKPD-LBPRGKRZSA-N 356.466 5.162 30 40 FKEB O=C1/C(=C\c2ccccc2Cl)CCCC/C1=C/c1ccccc1Cl 100389444 SHLLNPTZMBSFFR-JTFWXBGUSA-N 357.280 6.604 30 40 FKEB CCCCCCCCNC(=O)Nc1cc2ncccc2c2cccnc12 104547587 ODCWWFJNFGGJIO-UHFFFAOYSA-N 350.466 5.265 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cc(Cl)ccc1C 409106966 PHJCWMQSKCVSTM-LPYMAVHISA-N 358.869 5.016 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1C 409210667 LVMGNGRIVRXLGO-ZVHZXABRSA-N 359.425 5.331 30 40 FKEB CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 1442000 DUODOFTZNTWZTP-DEOSSOPVSA-N 354.453 5.189 30 40 FKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(O)cc1 1649610 IMLOAMSUXFEQKT-AXOLISODSA-N 359.252 5.919 30 40 FKEB C=CCN(CC=C)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773051 ZUSTTWSTJBAIJC-UHFFFAOYSA-N 370.283 5.782 30 40 FKEB CCOc1cc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)ccc1OC 6155462 YKJZYODUODBZEJ-VZUCSPMQSA-N 362.425 5.152 30 40 FKEB CCN(/N=C/c1ccc(Cl)c(Cl)c1)c1cc(C)c(C#N)c(Cl)n1 12411813 YEDLSCKMXDJQBK-ZVBGSRNCSA-N 367.667 5.082 30 40 FKEB O=C(/C=C(/Nc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccccc1 100888058 PJBWCIJKBDSNNU-HMMYKYKNSA-N 361.828 5.402 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1C 143175235 PKGSSCHDGSSPOQ-CVKSISIWSA-N 353.469 6.010 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408931094 HCCFWLJQELNCBU-PFRBSUFTSA-N 372.896 5.105 30 40 FKEB Brc1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 409213153 SUWJZSWGJWVXHP-HMAPJEAMSA-N 366.258 5.779 30 40 FKEB CC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409243541 SGOSJUCPHSEQFZ-YSMPRRRNSA-N 370.427 5.782 30 40 FKEB COc1cccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n23)c1 1473005 APBHIJOTTVEVAK-UHFFFAOYSA-N 356.429 5.235 30 40 FKEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccccc1Br 5417622 FJYXNOVDEQMXAT-KEBDBYFISA-N 357.173 5.304 30 40 FKEB CCCCCCCCCCCCCC(=O)Nc1cccc2cccnc12 8452337 KXVKKRKOZODISC-UHFFFAOYSA-N 354.538 6.874 30 40 FKEB C=CCn1c(SCc2coc(-c3cccs3)n2)nc2ccccc21 39576203 YZNDKRFAYIHDGF-UHFFFAOYSA-N 353.472 5.231 30 40 FKEB CCCCCCCCSCCS(=O)(=O)CCCCCCCC 100246050 FXBBBJWUCSTSGG-UHFFFAOYSA-N 350.634 5.855 30 40 FKEB CCCCCCCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1 101472158 QMENFMRLMLALMB-UHFFFAOYSA-N 357.365 7.877 30 40 FKEB O=C1/C(=C/c2ccccc2)CC[C@H]1C[C@@H]1CCC[C@@H](C2=CCCCC2)C1=O 105364666 HWZZEAVSPCVWGA-DPHUMXOYSA-N 362.513 5.925 30 40 FKEB C=C1/C=C/C(C)(C)C[C@@H](OC(=O)c2ccc(O)c(OC)c2)C/C(C)=C/CC1 137919021 ORHIUFMZSVDUJM-LHOFCLFPSA-N 370.489 5.585 30 40 FKEB Cc1sc2c(c1C#N)C[C@@H]1CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]3[C@]1(C)C2 253569817 MVAGPIUKXMGVFG-AFNCZQSISA-N 367.558 5.455 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)cc1 408755517 OCYYXZANPMVANF-YZSQISJMSA-N 352.481 6.560 30 40 FKEB Cc1cc(/C=N\Nc2ccccn2)cc(C)c1OCc1ccc(Cl)cc1 408855662 FXCSQNKIVPHCME-CFRMEGHHSA-N 365.864 5.377 30 40 FKEB CCOC(=O)c1c(/N=C/c2[nH]c3ccccc3c2Cl)sc2c1CCC2 727507 CXGOLOCPNSZKHX-UFFVCSGVSA-N 372.877 5.299 30 40 FKEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4175315 JHDCBCCFXMTNHG-XQNSMLJCSA-N 352.850 5.112 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 5546201 JOUAPASCTDXUOU-PKNBQFBNSA-N 369.829 5.873 30 40 FKEB N#C[C@H](c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 15022943 JEFJOTSDPTYHAQ-DHIUTWEWSA-N 355.416 5.242 30 40 FKEB Clc1ccc(/N=C(\c2ccncc2)c2cc(Cl)ccc2Cl)cc1 17109577 ZOZAKIFZZRADNL-PTGBLXJZSA-N 361.659 6.211 30 40 FKEB CCCCCCCCC[C@](C)(O)C#C[C@@](C)(O)CCCCCCCCC 30729238 SVJREAUWQPERAY-ZEQRLZLVSA-N 366.630 6.773 30 40 FKEB biogenic,in-vitro CCCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 38145488 CYMBTOZDBGCUJT-UHFFFAOYSA-N 353.677 5.141 30 40 FKEB Oc1ccc(Cl)cc1/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 68603182 PXGZMVADVLUWOY-ZVHZXABRSA-N 373.843 5.649 30 40 FKEB Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2)c1 100507619 IKNNQLHYCCCTLU-YDZHTSKRSA-N 364.832 5.357 30 40 FKEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1cccc2ccccc12 103856899 OUQIRMFBFJUJQM-UUYOSTAYSA-N 355.821 5.279 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)c1 225712086 YGZKLBOIVRTQAF-FQEVSTJZSA-N 354.519 5.306 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(Cl)ccc2C)c1C 408961012 PTAODZMHUOWFLC-AFUMVMLFSA-N 364.920 6.677 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cc(Cl)ccc2C)c1C 408967893 SNVXLBKRHXOCBE-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1cccc(Cl)c1 409209388 FBJVJHDORKYHJS-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 409211085 MPYSWJGTSHYOET-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1ccccc1 829768 HTMAMZILSQVNPL-XSFVSMFZSA-N 358.418 5.235 30 40 FKEB CCCCC[C@H](C[N+](C)(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1731550 SXOVUBFTUPYCEW-YBHKSSGVSA-N 357.345 5.478 30 40 FKEB C=C[C@]1(C)[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C 4533101 LCPAUIIWRMSYSN-QWINMVKISA-N 362.554 5.124 30 40 FKEB N#Cc1ccccc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 4536420 HXPDMGNOWNBVIT-UHFFFAOYSA-N 356.303 5.089 30 40 FKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCCC(C)C 6375617 QEYYRMXJNKIJFE-FYJGNVAPSA-N 369.490 5.176 30 40 FKEB C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 8570580 FGSMBEXNQWEGAT-UHFFFAOYSA-N 369.770 5.566 30 40 FKEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1 718253 ZXAHFLZBCMVCHD-QFIPXVFZSA-N 371.505 6.126 30 40 FKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1ccccc1F 1079494 UPXFNTHOUUGRHI-OAHLLOKOSA-N 369.823 5.007 30 40 FKEB O=C1/C(=C\c2ccccc2)Cc2cc3c(cc21)C/C(=C/c1ccccc1)C3=O 2267513 IAIUSMNVFBIDNU-IINORCHSSA-N 362.428 5.331 30 40 FKEB C=C(C)CNC(=S)N/N=C/c1c2ccccc2c(Cl)c2ccccc12 3320897 YSHQQKSAJUPKDA-FSJBWODESA-N 367.905 5.021 30 40 FKEB COC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 4151767 PHDYKDZKLTVFIC-UNOMPAQXSA-N 362.406 5.063 30 40 FKEB CC1(C)C2=C(/C=C/C=N/c3cccc([N+](=O)[O-])c3)CCCN2c2ccccc21 5261079 SFRHKWGLZHABHK-NVMGMXFGSA-N 373.456 5.699 30 40 FKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)n2c1nc1ccccc12 5660237 SROCEZZNZWMXGI-UHFFFAOYSA-N 363.395 5.832 30 40 FKEB CCOc1ccc(C(=O)/C(=C\c2ccc(C)o2)c2nc3ccccc3o2)cc1 5872866 RENUPIOSBUOTDR-XMHGGMMESA-N 373.408 5.551 30 40 FKEB CCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9194959 MEAKUVDMEWTQNE-AWQFTUOYSA-N 357.668 5.169 30 40 FKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1 54996030 LCKGQJOEHXQJOZ-UHFFFAOYSA-N 350.465 6.647 30 40 FKEB C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 225405055 FRTLZEAIXDNARZ-HNNXBMFYSA-N 351.519 5.098 30 40 FKEB Cc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1 408919235 VBOVBZQBCALVPR-DJOYVXLESA-N 374.465 5.392 30 40 FKEB Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408942138 XSNCRETUGNMNQN-FIZBLTRDSA-N 364.492 6.572 30 40 FKEB COc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409019866 ZKMWDAAQTLRLMG-UDWIEESQSA-N 359.903 6.312 30 40 FKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1cccc(O)c1 850325 VBMJFGJBJSYXEK-HSZRJFAPSA-N 370.452 5.250 30 40 FKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CC1 1431380 CRKZDVKLSHHJBB-INIZCTEOSA-N 359.256 5.306 30 40 FKEB Cc1cccc2oc(-c3cccc(/N=C/c4ccc([N+](=O)[O-])cc4)c3)nc12 3115212 FUPHAEAXFMICRP-LPYMAVHISA-N 357.369 5.462 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1 4155002 YJYHPUMZNXWHAR-LFYBBSHMSA-N 351.789 5.081 30 40 FKEB CCCCCCCCCCCC[S@](=O)[C@H]1CCCC[C@@H]1OC(C)=O 8442544 UIXJKRQTHMCKBN-MZLICYQSSA-N 358.588 5.530 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\C1CCCCC1 12879929 UBVDQPPYMIRBTH-SWZIWVEMSA-N 355.610 7.193 30 40 FKEB biogenic CCCCCCCCCCc1ccc(NC(=O)c2ccc(C)cc2)cc1 68568964 VIRZVJMPHHZISV-UHFFFAOYSA-N 351.534 6.931 30 40 FKEB biogenic Cc1ccccc1[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1 225504235 RJWMBRVPYWZOAW-QFIPXVFZSA-N 371.509 5.137 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225762037 FSFKNZFIFZWCIA-HXUWFJFHSA-N 354.519 5.244 30 40 FKEB Cc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1Cl 408932505 CQMHBJLZDBWFRG-WYMPLXKRSA-N 362.782 6.209 30 40 FKEB CC(C)(C)OC(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809076 AIDNBOSOKNGFOY-UHFFFAOYSA-N 364.204 5.002 30 40 FKEB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 829059 FFYZCTIAPVYXFP-RISCZKNCSA-N 369.317 5.028 30 40 FKEB CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 4695686 SWFDZKFFEJMROY-CXUHLZMHSA-N 373.477 5.557 30 40 FKEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)ccc1Cl 5416744 DQLUYGGCWAQJIF-UFWORHAWSA-N 357.624 5.181 30 40 FKEB O=[N+]([O-])[C@H](c1ccccc1)[C@H](C/C(=N\O)c1ccccc1)c1ccccc1 6575557 SCTWZSDTEFFVCK-LQQVSHDKSA-N 360.413 5.057 30 40 FKEB C[C@@H]1CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cccc1c32 16608522 IYLMRCDHXHHVKN-MKJBLZNBSA-N 372.390 5.459 30 40 FKEB C/C(=N\OC(=O)c1ccccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 36644266 UQNCJHRKXVJXJL-ZVHZXABRSA-N 361.828 5.492 30 40 FKEB C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 222370164 ZFIQRFCKNBMEDW-LAPQFRIASA-N 372.295 6.385 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225848509 KWWIVNVQVBUHEU-JOCHJYFZSA-N 374.525 5.297 30 40 FKEB Brc1ccc(/C=N/N(c2ccccc2)c2ccccc2)s1 408988605 DZAJYXOZFSVXPQ-CPNJWEJPSA-N 357.276 5.683 30 40 FKEB O=[N+]([O-])c1cc(/C=N\N=C2c3ccccc3-c3ccccc32)ccc1Cl 5031763 YTNQSBFMJJGHGY-UUYOSTAYSA-N 361.788 5.100 30 40 FKEB CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2COc2ccccc2-3)cc1 6239424 VWXQJRFHNXALDF-UHFFFAOYSA-N 365.436 5.362 30 40 FKEB CCCCCCCCCCCCCCCCCCOCCCCCC 104071858 VVYMPVCHKSOSIC-UHFFFAOYSA-N 354.663 8.845 30 40 FKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2ccccc2)cc1 408960194 DIVSGGQNSKQJGP-XSFVSMFZSA-N 374.440 5.384 30 40 FKEB Oc1ccccc1OC(F)(F)C(F)(F)c1ccc(C(F)(F)F)cc1 1083810955 BVGZEHFINPHZRM-UHFFFAOYSA-N 354.221 5.175 30 40 FKEB C=CCc1cccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)c1O 1433579 GXECLMAWBHWUKE-BUVRLJJBSA-N 353.425 5.415 30 40 FKEB CCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 2131705 FKYNWSRSQFDDQR-KEBDBYFISA-N 352.217 5.016 30 40 FKEB CCCCCCCn1c(/N=C/c2cc(Cl)ccc2O)nc2ccccc21 2268657 OOOHAAICYSNPGS-HZHRSRAPSA-N 369.896 6.116 30 40 FKEB COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1OC 4014247 HHYPJPCORPKTMP-PKNBQFBNSA-N 365.454 5.032 30 40 FKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)COc1ccc(Cl)cc1Cl)C2 4505757 CKFQIOWNGZFDKW-SQYQJFGESA-N 370.276 5.118 30 40 FKEB CC(C)(C)C1CCC(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 5504489 DOCRWTYMQUIYAD-UHFFFAOYSA-N 357.376 5.618 30 40 FKEB C[C@@H](NC/C(O)=N/c1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1 23865742 MGBCTYZQIIARAT-GFCCVEGCSA-N 373.428 5.027 30 40 FKEB CCn1c2ccccc2c2cc(/C=N\N3c4ccccc4C[C@H]3C)ccc21 72099253 TWPXERWDHZWUPC-GGMUZDTOSA-N 353.469 5.600 30 40 FKEB C=CCn1c(/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc21 101350385 AIROOPYHEIXWQC-KOEQRZSOSA-N 367.452 5.552 30 40 FKEB CCCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 408909773 ICZFEBPBPRYVST-RERTVAKNSA-N 372.493 5.854 30 40 FKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2ccc(F)cc2)c1 2619258 ACZZFGNKTOGWFK-QOCHGBHMSA-N 356.466 5.098 30 40 FKEB O=C1Nc2ccccc2/C1=N\c1ccc(Oc2ccc3ccccc3c2)cc1 4610663 WCUVRQVGSSTOQI-UHFFFAOYSA-N 364.404 5.705 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 5547742 AFUZBYFDFRMIBX-JXMROGBWSA-N 353.761 5.404 30 40 FKEB CC[C@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1cccc(OC)c1 7814254 GAQBFYCWOOLDDR-XOMICKMZSA-N 374.893 5.004 30 40 FKEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)Oc1ccccc1 13850308 NDMYLXAWSLMSJS-HNNXBMFYSA-N 369.465 5.036 30 40 FKEB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)[C@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C 14904061 DWXSJAAPPYYVFJ-PZTYKSJDSA-N 360.582 5.575 30 40 FKEB biogenic Cl/C(=N\c1cccc2ccccc12)N(c1ccccc1)c1ccccc1 17311003 XWFIEOIMMLRDEE-WJTDDFOZSA-N 356.856 6.904 30 40 FKEB in-vitro Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 59503509 NBLZFZCGWOFUKI-BLOQEJBCSA-N 370.477 5.804 30 40 FKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 408864693 YIKWVUIWNGMWLL-YYKCHOOESA-N 366.486 5.462 30 40 FKEB CCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 408912158 LHYMDCJBSMFPAL-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 409213326 SIQODOYBKYWLBE-IFRROFPPSA-N 372.635 5.169 30 40 FKEB COc1ccccc1Oc1ccc(N/C(C)=C/C(=O)c2ccc(C)o2)cc1 409366488 SRGWCZFDEPYWNM-CCEZHUSRSA-N 363.413 5.588 30 40 FKEB Clc1ccc(-c2nc3cc(/N=C/c4cccnc4)ccc3[nH]2)c(Cl)c1 822273 KEFYANJBUGFOEX-FOKLQQMPSA-N 367.239 5.682 30 40 FKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1518509 ITPURNMUNPDJMY-UHFFFAOYSA-N 374.252 5.241 30 40 FKEB Cc1ccc(/N=C/c2c(-c3ccccc3)[nH]c3ccc([N+](=O)[O-])cc23)cc1 3212607 OEAOETZATMIAJF-OEAKJJBVSA-N 355.397 5.802 30 40 FKEB CCSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 5240735 DJYVSPCAWXFHQZ-UHFFFAOYSA-N 356.516 5.253 30 40 FKEB CSc1ccc(N/C(S)=N/C(=O)c2ccc(Cl)cc2Cl)cc1 5550545 PIUZPGUEPGALPH-UHFFFAOYSA-N 371.314 5.253 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 8570879 WZXZFRNMFPOACJ-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB [N-]=[N+]=Nc1c(Br)cc(Br)cc1-c1ccccc1 17003850 QRGATRIOODMXSS-UHFFFAOYSA-N 353.017 5.820 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(F)cccc1Cl 18136401 JLWXMZCERBMWOR-HXUWFJFHSA-N 370.855 5.701 30 40 FKEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccc(Cl)cc1 27586218 XMUPUHBKWHGLCX-UHFFFAOYSA-N 374.875 5.830 30 40 FKEB CC(C)Nc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33027220 HEMUSZNBMKXQNG-UHFFFAOYSA-N 373.412 5.359 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1c(C)cccc1C 408906376 IXKTVIDWSWNVJG-JRLDGGGSSA-N 370.905 5.581 30 40 FKEB Fc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 409207990 DPTGESCTVDUPGA-WYMPLXKRSA-N 374.242 6.462 30 40 FKEB CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 833877 FUXSVTREVQVZDE-RUZDIDTESA-N 368.480 5.579 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(O)cc1 4384820 UCWHVEGXWVTUPG-HXUWFJFHSA-N 351.471 5.294 30 40 FKEB S=C1N/C(=N\c2ccccc2)C2(CCCCC2)N1c1cccc(Cl)c1 5428450 FPCRFRWCVUFOPZ-UHFFFAOYSA-N 369.921 5.468 30 40 FKEB N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 6476520 HIYHMVJOXZHBDZ-UHFFFAOYSA-N 371.440 5.600 30 40 FKEB N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(F)c1 8590864 IZZKNFAQWZJEMD-UHFFFAOYSA-N 373.412 5.226 30 40 FKEB CCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@H]12 70665155 CYZKFNCUYBQMOB-XXBNENTESA-N 356.554 6.339 30 40 FKEB biogenic Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C 225886886 RIQZETXSWYHZDF-UHFFFAOYSA-N 359.473 5.523 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cccc(Br)c2)C1 408563982 TZDJYLMMUBIUSR-XTZCOPOCSA-N 350.300 5.550 30 40 FKEB N#Cc1ccccc1CO/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408595223 WASTWSVBXJKHCQ-KSEXSDGBSA-N 371.223 5.676 30 40 FKEB CCCCCCCCCc1cc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1673121 RKBUOSSPPOJKQF-UHFFFAOYSA-N 369.485 5.058 30 40 FKEB CCCCCCCCc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1 2329155 BXADNMCONAIAAO-UHFFFAOYSA-N 360.527 5.702 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1 4679555 QPBHNMXBPQDKSI-LBPRGKRZSA-N 358.532 5.475 30 40 FKEB C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 5499768 GLZOJWRXQSLBKU-UHFFFAOYSA-N 359.857 5.216 30 40 FKEB CCn1cc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c2ccccc21 28182724 OOXWFRLPVNUBKF-QRVIBDJDSA-N 373.452 5.622 30 40 FKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(OCc3ccccc3)cc2)cc1 51318637 BDZPPUCEMLOIBY-WUKNDPDISA-N 371.480 6.198 30 40 FKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3F)c(C)c2s1 72228593 RLFLRZOUXYVHQS-UHFFFAOYSA-N 370.453 5.112 30 40 FKEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Br)cc3)cc21 198077460 BQKWPJDKOXZJIY-KOUDTOEKSA-N 371.322 5.922 30 40 FKEB Cc1cc2c(cc1/C=N\c1ccccc1O)[C@@H](C)CC(C)(C)N2C(C)C 223616576 GXFWNTBWOQJAFX-PDESAOGPSA-N 350.506 5.952 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)c1 408589640 FFFYBYFBUGEHNS-AFUMVMLFSA-N 357.457 5.133 30 40 FKEB CCCCCCC(=O)/C=C/c1cccc(OCc2cccc(Cl)c2)c1 1575867 URKLWGCRHYRYMK-BUHFOSPRSA-N 356.893 6.472 30 40 FKEB Cc1cc2c(cc1C)/C(=N/c1ccccc1Br)NC(C)(C)C2 2310988 ZMJFXVPCBAOROQ-UHFFFAOYSA-N 357.295 5.069 30 40 FKEB COc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)N=C2O)c(OC)c1 2593034 ZKBCSHSQJAAWLF-CXUHLZMHSA-N 374.849 5.089 30 40 FKEB CCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 4591077 SIUPQTLWAXZFAG-IECUCWQJSA-N 366.486 5.018 30 40 FKEB O=C(/C=C/c1ccc(Br)cc1)c1cccc(Br)c1 6338139 JWWAJUUTSOEXFW-RMKNXTFCSA-N 366.052 5.108 30 40 FKEB N#Cc1c(-c2ccco2)cc(-c2cccc(F)c2)n2c1nc1ccccc12 6517199 AISWJRPMMALTIM-UHFFFAOYSA-N 353.356 5.425 30 40 FKEB CC(C)c1ccc(N/C(S)=N\N(c2ccccc2)c2ccccc2)cc1 8685400 IZBYLHOYWUWZES-UHFFFAOYSA-N 361.514 6.261 30 40 FKEB aggregator CCOc1ccc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)cc1 8991235 HXOOSAHOKHQDHV-CYVLTUHYSA-N 370.408 5.045 30 40 FKEB N#Cc1cnc2ccc(Cl)cc2c1N1CCC(Cc2ccccc2)CC1 16841514 JKIVCVUWYBPCSW-UHFFFAOYSA-N 361.876 5.219 30 40 FKEB CCCCCCC(=O)/C=C\c1cccc(OCc2cccc(Cl)c2)c1 17127540 URKLWGCRHYRYMK-YPKPFQOOSA-N 356.893 6.472 30 40 FKEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)cc1 44844013 AJTDTRLWSNPECE-OUKQBFOZSA-N 351.446 5.069 30 40 FKEB CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cccc2ccccc12 100155140 PTVPMCKJNJJYKH-ZHZULCJRSA-N 359.450 5.413 30 40 FKEB CCCCCCCCCCCCCC(=O)c1ccc(-c2ccccc2)cc1 101470454 NWRBORDZFZOODD-UHFFFAOYSA-N 364.573 8.237 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)C 104110133 OTJQQAKRVGMJDZ-UHFFFAOYSA-O 369.658 6.070 30 40 FKEB Cc1cccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)c1C 409214774 YSRIHWOCXZMRQK-OYKKKHCWSA-N 359.425 5.331 30 40 FKEB CCOc1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 681028 JYFYTKKZAPLQCY-BUVRLJJBSA-N 356.425 5.953 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccsc1 1076734 GKDVYKIAIHZAIR-MRXNPFEDSA-N 369.461 5.051 30 40 FKEB O=C(Nc1cccc(Cl)c1)ON=C(c1ccccc1)c1ccccc1 3118574 QOVYCPYXPQYLRC-UHFFFAOYSA-N 350.805 5.341 30 40 FKEB CN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@H]1C#Cc1ccccc1 4043705 DGCHUPNBTKIVDY-HHHXNRCGSA-N 372.471 5.646 30 40 FKEB C=CCOc1ccc(CNc2ccc(NC(=O)CCC)cc2)cc1OCC 4661528 SOCJKOWIDBJNKW-UHFFFAOYSA-N 368.477 5.001 30 40 FKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(OCC)cc1 13806475 HEIVFKRFQUXXSW-DQRAZIAOSA-N 350.487 5.342 30 40 FKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)NC1=O 59433491 PZTCSHHBIAQAGH-ZHZULCJRSA-N 374.465 5.130 30 40 FKEB CCCCCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 59931565 YNDKYIDVUCXKFV-UHFFFAOYSA-N 359.897 5.619 30 40 FKEB CCCCCCCc1ccc(/N=C/c2ccc(OCCCCC)cc2)cc1 68569015 QBYDDGRNEMVCJE-YYADALCUSA-N 365.561 7.519 30 40 FKEB O=C1/C(=N\c2ccc(C(F)(F)F)cc2)c2ccccc2N1c1ccccc1 100327257 LKJZKWBKJKHTBI-PLRJNAJWSA-N 366.342 5.505 30 40 FKEB CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC 100923616 RJIRXFOWROZRFS-UHFFFAOYSA-N 356.615 6.107 30 40 FKEB Cn1c(=O)cc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c2ccccc21 104084359 BPZZWHCUXJBSNQ-SFFYKXJYSA-N 366.424 5.705 30 40 FKEB Cc1ccccc1N(C)/N=C1/C=C(c2ccc(-c3ccccc3)cc2)OC1=O 408727715 XDILWSJJPPNJEU-DAFNUICNSA-N 368.436 5.052 30 40 FKEB O=C(O)c1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 408910892 LUPSFTVOGQOYSP-UFFVCSGVSA-N 360.196 5.702 30 40 FKEB O=C1C2=C(Nc3ccc4ccccc4c3[C@@H]2c2ccncc2)c2ccccc21 1422401 BYENSEHYPUFWIT-NRFANRHFSA-N 360.416 5.400 30 40 FKEB COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 2239186 IQXCPELUXWSHGU-QHCPKHFHSA-N 371.461 5.562 30 40 FKEB CCOC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc(C)c1C 4739504 MWSSFNFICQZEPF-FBCYGCLPSA-N 372.273 5.305 30 40 FKEB CCOc1ccc2nc3cc(/N=C/c4ccc(OC)cc4)ccc3c(N)c2c1 4811431 KXZBEQKKAQFWNL-AFUMVMLFSA-N 371.440 5.128 30 40 FKEB Cc1nc(-c2ccc([C@H](C)Nc3ccc(C#N)cc3[N+](=O)[O-])cc2)cs1 12797967 XCXQOONXOMCSPF-LBPRGKRZSA-N 364.430 5.072 30 40 FKEB O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 32179374 GASMKFGEAHHJFU-NTMALXAHSA-N 353.761 5.404 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Br)c(Cl)c1 100248300 IIEZSSLNBBFQHN-KEBDBYFISA-N 360.638 5.712 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1C 409210357 KKFSRRMQOXWTSN-DHRITJCHSA-N 367.851 6.426 30 40 FKEB COc1ccc([C@H]2CC(=O)C=C(Nc3ccccc3-c3ccccc3)C2)cc1 867365 CYHQVBZVKLDBEB-HXUWFJFHSA-N 369.464 5.805 30 40 FKEB COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c2ccccc12 2820935 YDTAFHAHYWNYGU-KOEQRZSOSA-N 352.437 6.343 30 40 FKEB CN(C)c1ccc(/C=C/C(=O)c2ccc(Sc3ccccc3)cc2)cc1 4859455 AFHVSMFBYMEQGP-LICLKQGHSA-N 359.494 5.800 30 40 FKEB C=C(C)[C@H](CCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)[C@@H](C)CC 5954047 AUTQGTNTUWGZPT-HOTGVXAUSA-N 354.490 5.548 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2cccc3ccccc23)c1 8368207 AIOIQUWCLKCJGS-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(F)cc1F 9482248 AKEFCOYVXNFSRD-FQEVSTJZSA-N 354.400 5.187 30 40 FKEB Cc1ccc2oc(-c3cc(/N=C\c4cccc(C)c4O)ccc3O)nc2c1 15938961 QSRMVSDWTPVTRO-FMCGGJTJSA-N 358.397 5.273 30 40 FKEB Clc1ccc2nc(N/N=C\c3cccs3)nc(-c3ccccc3)c2c1 38195898 BXHYZVHIJYOZPS-MTJSOVHGSA-N 364.861 5.458 30 40 FKEB CCCCCCCCNCc1cccc(OCc2ccccc2Cl)c1 102561972 VTYZZAYRBHFRJB-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB Cc1cccc(Cn2c(C#N)cc(N)c2Sc2ccc(Cl)cc2)c1 225889005 XPTILTMKKICXMB-UHFFFAOYSA-N 353.878 5.103 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409379201 VKPPONOVZQHMDU-XIJPWPHISA-N 366.288 6.238 30 40 FKEB CC(C)(C)c1cc(Br)cc(/C=N/c2ccccc2C#N)c1O 865480 GFEYDMUHQSVHQR-SRZZPIQSSA-N 357.251 5.074 30 40 FKEB Cc1ccc(O)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 1107660 AHGUBYTXFZGAIO-FSJBWODESA-N 358.353 5.436 30 40 FKEB CC(=O)N(C[C@H](C)/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1 1306833 KKWWBKVWSMWNHK-IBGZPJMESA-N 371.484 5.518 30 40 FKEB Cc1cc(Br)c(O)c(/C=N/c2cccc(Cl)c2Cl)c1 3085106 ILQHMQNRHSWUTB-CNHKJKLMSA-N 359.050 5.521 30 40 FKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)OC(C)=O 4023647 FCPHMAOZUSIKSS-WXXPDCOUSA-N 374.609 7.244 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C#N)C1 4173500 KCTWOJFQHFGUGA-ZETCQYMHSA-N 371.314 5.365 30 40 FKEB C=CCn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(C(C)(C)C)cc1 5858175 VQVGBJAYENIWMU-GOSISDBHSA-N 369.534 5.032 30 40 FKEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 6826776 YGPSWYYYDMUIAO-NDENLUEZSA-N 364.441 5.162 30 40 FKEB O/N=C1\C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1 13301347 ODMJIIJUJAYBCI-UBGGSZPBSA-N 356.469 5.151 30 40 FKEB Cc1cc(C)c(/C=C\C(=O)c2ccccc2OCc2ccccc2)c(C)c1 33376548 SIKMBWWJHUQIHT-YPKPFQOOSA-N 356.465 6.087 30 40 FKEB Cc1cccc(C(=O)/C=C/C2=C(N3CCCCCC3)Cc3ccccc32)c1 55129541 ZCAQEGDWUKAAOA-BUHFOSPRSA-N 357.497 5.577 30 40 FKEB CCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 59664000 OPRBMJRRRLVEQJ-HZHRSRAPSA-N 373.880 6.138 30 40 FKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 408740817 IFPAKMXFXQOZGH-UYRXBGFRSA-N 366.486 5.100 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 408742757 YCFYFURDVYXYCV-PCLIKHOPSA-N 359.517 6.034 30 40 FKEB CCOc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 409202203 QAAZXZLYWYNYTK-IWIPYMOSSA-N 365.860 6.068 30 40 FKEB C/C(=N\OCc1ccc(Cl)cc1)c1sc2nc3ccccc3n2c1C 1394360 HWUZFSNDDBIUPB-WSDLNYQXSA-N 369.877 5.452 30 40 FKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 3899420 YMQBYAWVVARBBM-UHFFFAOYSA-N 351.258 5.058 30 40 FKEB biogenic C[C@@H]1C/C(=N\NC(=S)Nc2ccc(SC(F)F)cc2)CC(C)(C)C1 5691420 BIQGAROVISTMFF-GDKRHEGXSA-N 371.522 5.490 30 40 FKEB O=C(/C(=C/c1cccc(F)c1)c1nc2ccccc2s1)c1ccccc1 5938500 ZBDZQISGNOLEBB-JXAWBTAJSA-N 359.425 5.859 30 40 FKEB CCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(C)CC1 72121341 WRYPPCPHIBQVGO-UHFFFAOYSA-N 353.615 5.386 30 40 FKEB Cc1ccc(/N=C/N(C(=S)NCc2ccccc2)c2ccc(C)cc2)cc1 101548327 DGSQXISEQLIDAT-KOEQRZSOSA-N 373.525 5.545 30 40 FKEB CC1(C)OB(c2c(F)ccc3c2C=C[C@H]3[Si](C)(C)C(C)(C)C)OC1(C)C 169811389 PFRBOPOSGGFYGE-QGZVFWFLSA-N 374.381 5.283 30 40 FKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccccc1 408780544 DEIYZPPYMAKXOH-NLRVBDNBSA-N 356.513 6.892 30 40 FKEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 409186400 BPEWSLMIUSHTTK-PCLIKHOPSA-N 373.452 5.435 30 40 FKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)cc2C)cc1 409212628 RBARVODXQYTMFR-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB O=C(c1cc(Cl)cc(F)c1Cl)C(F)(F)C(F)(F)C(F)(F)F 575360939 UDUSZBWMHYJWGY-UHFFFAOYSA-N 361.015 5.148 30 40 FKEB Cc1ccc2nc(-c3cc(/N=C/c4cc(C)c(C)cc4O)ccc3O)oc2c1 1433545 FLDQYNPGFNQANN-WYMPLXKRSA-N 372.424 5.582 30 40 FKEB Cc1ccc(C(=O)CSc2nc(C)cc(-c3ccccc3)c2C#N)cc1 1439974 WHXXVJWUVLOYPC-UHFFFAOYSA-N 358.466 5.212 30 40 FKEB CCCCCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 3228215 RQDTXBSJQXRPFV-UHFFFAOYSA-N 350.553 5.360 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)cc1C 5571065 LWFTZQVLOSXEON-YDZHTSKRSA-N 374.513 5.767 30 40 FKEB N#Cc1c(NC(=O)c2ccc(OC3CCCC3)cc2)sc2c1CCCC2 28228487 PASMRWIGWRRPOT-UHFFFAOYSA-N 366.486 5.072 30 40 FKEB CCCOc1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 32100211 QIEHLRFQVHYIIV-WUKNDPDISA-N 357.453 5.951 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 38611730 DGKAJFBWCOTIQA-HSONSCOFSA-N 373.537 5.347 30 40 FKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 100210417 VMLZPLRJWXKCSW-MFKUBSTISA-N 374.484 5.638 30 40 FKEB C=CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C 408903896 AZIMVDSYMLSHSF-LTGZKZEYSA-N 368.436 5.211 30 40 FKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cccc(C)c2C)c1 409211472 NUGLRUCWFCRCFL-MFKUBSTISA-N 372.468 5.380 30 40 FKEB C=CCN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 2252020 NIJQTHFLABJBOY-VWLOTQADSA-N 353.465 5.926 30 40 FKEB C=CCOc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 3999919 BMCZDYVAHVNULV-DQRYEYLNSA-N 374.484 5.119 30 40 FKEB biogenic CC(/C=C1\S/C(=N/c2ccc(Cl)cc2)N=C1O)=C\c1ccccc1 6261729 BWHSFTRUFFZNEW-YMGXUNRSSA-N 354.862 6.018 30 40 FKEB Brc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 12403693 PIVATZDYQKKODX-BZROTZBESA-N 364.246 6.615 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(OCC)cc1 16711483 DBVYNMDHRAKEEU-XDOYNYLZSA-N 370.905 5.687 30 40 FKEB Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccccc3F)c1)C2 59503642 CIIIGPCZLHCFIF-ZHACJKMWSA-N 371.455 5.859 30 40 FKEB ClC12C[C@@H]3C[C@@H](C1)CC(c1ccc(/N=C/c4cccs4)cc1)(C3)C2 100503810 RQKPBDNYJWVLFP-SGSHPBPJSA-N 355.934 6.328 30 40 FKEB CCCCCCCc1ccc(C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100984477 JUTCIZFINAWAQM-XUZZJYLKSA-N 355.566 6.240 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1 225495234 YPZMXMKZBHOQLI-FQEVSTJZSA-N 354.519 5.325 30 40 FKEB C=CCOc1ccc(CNc2ccc(OCC)cc2)cc1Br 409114763 LBFHKOCEIUVTTK-UHFFFAOYSA-N 362.267 5.025 30 40 FKEB Cc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1C 1027670 DSDGVWNJFRGNIU-CIAFOILYSA-N 354.247 6.077 30 40 FKEB N#CCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 8392393 WKTUEPKTZLPKSR-UHFFFAOYSA-N 350.805 5.016 30 40 FKEB C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1-c1cccnc1 8472075 DKAIDIFZQLJIOT-ZDUSSCGKSA-N 356.882 5.033 30 40 FKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2c(C)cccc2C)o1 28236792 BAJYQQZNRZSLDG-UHFFFAOYSA-N 361.441 5.456 30 40 FKEB Cc1cc2c(cc1C=C1C(=O)c3ccccc3C1=O)[C@H](C)CC(C)(C)N2C 113777724 BUFICFQQYWVYTN-OAHLLOKOSA-N 359.469 5.180 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 223521863 KSXUGJHLWSNEKN-QRVIBDJDSA-N 354.881 5.731 30 40 FKEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCOC(C)=O 252680043 UXNQBRLSYUSFKW-YOQZKJSOSA-N 350.543 5.126 30 40 FKEB biogenic,in-vitro CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1 408777072 VEGPYHBEPNQTTP-ZVHZXABRSA-N 364.420 5.161 30 40 FKEB CC(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409406882 RKDQRNDLBHHUQD-UHFFFAOYSA-N 367.452 5.069 30 40 FKEB N#Cc1ccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 1083811113 XXDBGSUQRSIIRV-UHFFFAOYSA-N 365.195 5.000 30 40 FKEB CC(C)c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 5825655 ZJBAXGXDSGPHTQ-GZTJUZNOSA-N 356.878 5.355 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OC 8084240 JFGSIKSXKUEZML-FYJGNVAPSA-N 374.278 5.336 30 40 FKEB O=C1[C@H](Cc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 13152455 YRGIXGZBFRNAQP-LPNGOHTBSA-N 358.466 5.065 30 40 FKEB CCCCCCCOc1cccc(NC[C@H](C)Oc2ccc(CC)cc2)c1 100039055 WYAJAXGZZAWWLQ-FQEVSTJZSA-N 369.549 6.478 30 40 FKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1cccc(Oc2ccccc2)c1 100060275 JWIAHKMPYBUUSF-HKOYGPOVSA-N 358.441 5.066 30 40 FKEB CCCCCCCCCCCCCCCCCc1nccn1CCO 100307706 FHQAAMIOVUDAPE-UHFFFAOYSA-N 350.591 6.289 30 40 FKEB C=CCSc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 219799034 RVZCTFXJEYCAMD-UHFFFAOYSA-N 363.935 5.140 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 252429330 DGKAJFBWCOTIQA-NGAGZHDZSA-N 373.537 5.347 30 40 FKEB COc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Cl 408718482 ZOKLFXTUGYVJCM-UHFFFAOYSA-N 364.784 5.071 30 40 FKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 409120664 VGEMJMIFQYDMAL-HMAPJEAMSA-N 362.454 6.113 30 40 FKEB CCCCc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409187241 NVXNJVLYKKXVFJ-HZHRSRAPSA-N 353.462 5.110 30 40 FKEB C=C(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccccc2)cc1 2171432751 HREFEKMBLJVPDQ-UHFFFAOYSA-N 366.461 6.161 30 40 FKEB C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 2746709 LYGQOZRGTLPLDK-QHCPKHFHSA-N 370.452 5.331 30 40 FKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 3312050 SAEGUHNWIRLAPV-UHFFFAOYSA-N 359.857 5.216 30 40 FKEB Cc1ccc(-c2csc(N/N=C/c3ccccc3OC(F)F)n2)cc1 4837412 MWLWWAHABTUSRZ-UFFVCSGVSA-N 359.401 5.166 30 40 FKEB CC/C(C)=N/Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 5610762 KZXBEWZDIRJWJR-OEAKJJBVSA-N 364.474 5.260 30 40 FKEB COc1cc(Br)c(/C=N/c2cccc(Cl)c2C)cc1OC 8277787 SSVBJSZQDZVBOB-DJKKODMXSA-N 368.658 5.179 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)C3(c4ccccc4)CCCC3)c2C#N)C1 30822872 PXMNTLHPVSEXIW-HNNXBMFYSA-N 364.514 5.195 30 40 FKEB O=C(/C=C\c1ccccc1Cl)c1ccc(C#CCC2CCCCC2)s1 33376406 OQIFWXRPOFGDOM-SQFISAMPSA-N 368.929 6.620 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1Cl 409210000 IWLXEZRYTHAGDL-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB O=C(c1ccc(Cl)s1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242987 QVQUXWFPKNQGAN-UHFFFAOYSA-N 364.616 5.052 30 40 FKEB C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@H](C)C(=O)c1ccccc1 4843934 BCFFUTDQTAOCOQ-CVDCTZTESA-N 354.449 5.728 30 40 FKEB Cc1c(CCC(C)C)c(N2CCC(C)CC2)n2c(nc3ccccc32)c1C#N 4869565 VACGRAWVMWDQII-UHFFFAOYSA-N 374.532 5.493 30 40 FKEB Cc1ccc(N/N=C(\CCCCC(=O)O)c2ccc3ccccc3n2)cc1 5204468 PZOABEAJHNRMBW-NJNXFGOHSA-N 361.445 5.004 30 40 FKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1c[nH]c2ccccc12 5376632 NQYWGLGSFWGKEU-UDWIEESQSA-N 369.449 5.213 30 40 FKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1cccc(Br)c1 6321444 JUIQPSFNSPSTKK-BQYQJAHWSA-N 356.046 5.652 30 40 FKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408780347 XQHKRNAWRRGFPX-FSJBWODESA-N 373.283 6.160 30 40 FKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 409051676 BZMBBLYPMGKUFC-FYJGNVAPSA-N 366.446 5.117 30 40 FKEB CCc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409076700 BVLBSWBELFBIGJ-WGOQTCKBSA-N 359.513 6.173 30 40 FKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 984970 MIZFRNVVSXZSPO-UHFFFAOYSA-N 360.548 5.120 30 40 FKEB Clc1cccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)c1Cl 3113159 LIYSQUNKOUMICQ-FSJBWODESA-N 367.235 6.552 30 40 FKEB CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 4819900 FMNOKRYALKWYRC-SILNSSARSA-N 368.436 5.317 30 40 FKEB CC(/C=C1\S/C(=N/c2cccc(Cl)c2)N=C1O)=C\c1ccccc1 6261732 QZVKWPAHBBJEBY-NEOBQEPSSA-N 354.862 6.018 30 40 FKEB O=C(/C=C/c1ccc(Cl)cc1)c1cccc(N2Cc3ccccc3C2)c1 59503633 SEMZTXPUGJQALQ-JLHYYAGUSA-N 359.856 5.756 30 40 FKEB CCCCCCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1 100934561 HRFNTUUOPSVBLG-UHFFFAOYSA-N 368.517 6.337 30 40 FKEB O=C1c2ccccc2C(=O)C1/C(=N/c1ccccc1Cl)c1ccccc1 104223481 CWRNGAKXQWAWNV-HIXSDJFHSA-N 359.812 5.156 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)C(C)(C)C 408737823 YCUPFRJURYIIQM-VCHYOVAHSA-N 352.301 5.407 30 40 FKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 408743911 VYCPZNLIEDVCSS-BUVRLJJBSA-N 360.457 5.194 30 40 FKEB CSc1ccccc1C(=O)O/N=C(/Cc1ccccc1)c1cccs1 409051657 BWKNLULKHVHNDT-FXBPSFAMSA-N 367.495 5.274 30 40 FKEB COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cn1 409064701 FISINBZRLUCMFD-MTJSOVHGSA-N 354.862 5.645 30 40 FKEB Cc1oc(/N=C/c2cccc(OCc3ccccc3Cl)c2)c(C#N)c1C 409142980 SMFSGSSPYSYHGK-WYMPLXKRSA-N 364.832 5.751 30 40 FKEB N#Cc1c(-c2ccccc2)cc(Nc2ccccc2)n2c1nc1ccccc12 727805 NWLXCNROVRWQKU-UHFFFAOYSA-N 360.420 5.770 30 40 FKEB N#C/C(=N\Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 4175386 VTPRHIOEXZRCJP-HZHRSRAPSA-N 373.268 5.457 30 40 FKEB O=C(/C=C/C(Br)=C\c1ccccc1)c1ccc2ccccc2c1 4263151 REXPJNZPUGSFKT-VIWRHKKTSA-N 363.254 6.015 30 40 FKEB O=[N+]([O-])c1ccc(Cl)cc1/C=N\N=C1c2ccccc2-c2ccccc21 5031747 MAAVYRFWYFYVNJ-UUYOSTAYSA-N 361.788 5.100 30 40 FKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1O 6958848 VEOISLXBSACJCT-OEAKJJBVSA-N 367.832 5.987 30 40 FKEB Cc1ccc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1 12768127 YYNZEJHLKNPMOA-UHFFFAOYSA-N 372.493 5.290 30 40 FKEB CCOC(=O)c1cccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 32100199 JCORBZFSRLKILX-FOCLMDBBSA-N 371.436 5.339 30 40 FKEB O=C(/C=C\C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(F)cc1 33376549 GMJNBAXPEJXKKJ-YPKPFQOOSA-N 361.460 5.408 30 40 FKEB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1C[C@@H]3C#N 104056388 FILZRTOLEMCSFG-ZLTIUTNPSA-N 355.522 5.426 30 40 FKEB C=CCSc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 219801673 LQXMVVOBTJGVPA-UHFFFAOYSA-N 351.515 5.060 30 40 FKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408784450 CAGREFGKVBAXJW-FSJBWODESA-N 356.828 5.646 30 40 FKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)ccc1F 408966333 LPPZACIOGCXUHW-VULFUBBASA-N 357.432 5.840 30 40 FKEB CCOc1cc(/C=N/c2ccccc2OC)ccc1OCc1ccccc1 680976 UVIPZRDVULNBRO-LFVJCYFKSA-N 361.441 5.424 30 40 FKEB Cc1cccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)c1 864763 DBZFJTSTJYQYEK-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB Cc1cccc(C)c1NC(=S)N(CCC#N)[C@@H]1C[C@@H](C)CC(C)(C)C1 1735800 ZPWZPXUNDXIEIK-CRAIPNDOSA-N 357.567 5.431 30 40 FKEB CC(C)(C)c1cc2oc3c(c2c(/C=N/Cc2ccccc2)c1O)CCCC3 2283801 ACMKNTHSNLWYEP-MFKUBSTISA-N 361.485 5.934 30 40 FKEB Cn1c2ccccc2c2cc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc21 4859454 LAXXCZWOUUZRFY-MDWZMJQESA-N 356.381 5.136 30 40 FKEB O=C1/C(=C/c2ccccc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 13682301 OBLDTXIQGBOYFD-ROJFHSNZSA-N 354.405 5.395 30 40 FKEB CCc1ccc(/C=[N+](\[O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 80343894 RODCLMSUINEBNN-QQXSKIMKSA-N 369.424 5.227 30 40 FKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 408685173 QGMFTPXWZLIXBZ-UHFFFAOYSA-N 371.477 5.829 30 40 FKEB Cc1ccc(N=C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 1736412 XPOYSDFKEIYUDW-UHFFFAOYSA-N 352.264 6.735 30 40 FKEB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1959675 OQODOYHBHPSIGG-USYSOWRXSA-N 364.514 5.520 30 40 FKEB C=CCOc1ccccc1/C=C/[C@]12N=C(O)CCN1c1ccccc1C2(C)C 2110786 RKCDDZGORIEKDI-RQOTYCFOSA-N 374.484 5.119 30 40 FKEB biogenic Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3C)o2)cc1C(=O)O 4739270 LCRAXMPUWCMSIN-SSDVNMTOSA-N 353.805 5.666 30 40 FKEB Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(=O)Nc1ccccc1C#N 5033252 LKCNCMLGWHXGLV-UHFFFAOYSA-N 371.223 5.686 30 40 FKEB COc1ccc(/C=N/c2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 5513492 MBCZZMCZKQDEFP-VSIOZEBNSA-N 351.833 5.181 30 40 FKEB CC(C)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 6377322 RYBGGHFMRRDSLI-BJMVGYQFSA-N 353.676 6.666 30 40 FKEB CCCCCCCOc1ccccc1/C=N/Nc1nc2ccccc2s1 8385614 HBRKNQPFZVNCNL-CJLVFECKSA-N 367.518 6.092 30 40 FKEB COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 11946786 MISLRQQIELEHRC-FBCYGCLPSA-N 360.624 5.043 30 40 FKEB C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 24261448 LCNTUEBVZRUVNV-INIZCTEOSA-N 358.466 5.200 30 40 FKEB FC(F)(F)c1ccc(CNCCCSC(F)(F)C(F)(F)F)cc1 97950193 VVHNTFMUGTYAAS-UHFFFAOYSA-N 367.305 5.073 30 40 FKEB Cc1sc2c(c1C#N)C[C@@H]1CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]3[C@]1(C)C2 253569819 MVAGPIUKXMGVFG-KURBTGNBSA-N 367.558 5.455 30 40 FKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(Cl)cc1 408774064 OCEHUBOPUTWKMN-ZVHZXABRSA-N 350.893 6.622 30 40 FKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(C)c3)cc2)cc1 408805180 JFPUAVDVZDIGCX-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(C(C)(C)C)cc1 408967885 SNBFCUOFGPLQLE-VULFUBBASA-N 366.455 6.420 30 40 FKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1Cl 409052241 QUHBVSZCMXIACS-FXBPSFAMSA-N 355.846 5.205 30 40 FKEB Cc1ccc(C)c(CSc2nc(O)c(C#N)c(C3CCCCC3)n2)c1 1043295 LSHOSZQLVLPEGG-UHFFFAOYSA-N 353.491 5.011 30 40 FKEB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2084421 GCOKZAPIFFDGBD-GJZGRUSLSA-N 360.567 5.926 30 40 FKEB COc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 3097503 YWYAUGZSEYXBLT-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)s3)s2)cc1 5360805 JLUIBHPPWZIVCT-SOFGYWHQSA-N 360.887 6.035 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225661112 WNCDCEBLLJMKAC-KRWDZBQOSA-N 368.546 5.294 30 40 FKEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccccc1Cl 225889037 QZIBCWITWCEJLC-UHFFFAOYSA-N 374.296 5.448 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](/C(C)=N/O)CC[C@H]32)C1 253497815 DGKAJFBWCOTIQA-VSWUDBGYSA-N 373.537 5.347 30 40 FKEB C=CCc1cc(/C=N/c2cccc(Br)c2)cc(OCC)c1O 408849260 VTEZVQFLVRNZCN-UDWIEESQSA-N 360.251 5.033 30 40 FKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 408966753 NYKOPSXUVLTIQT-OYKKKHCWSA-N 370.412 5.301 30 40 FKEB Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccccc1 409219415 QFZNNCQGPSJGDV-WGOQTCKBSA-N 371.867 6.823 30 40 FKEB CCC[C@H]1CCc2c(sc(NC(=O)CCCc3ccccc3)c2C#N)C1 649573 JKYLLVBQYDTSAT-KRWDZBQOSA-N 366.530 5.486 30 40 FKEB N#CC1(c2ccccc2)[C@@H](c2ccccc2)CC(=O)C[C@@H]1c1ccccc1 1678888 HUFNWVLCSKBRCC-DNQXCXABSA-N 351.449 5.378 30 40 FKEB CCCCCOc1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1 2334482 LFCILKXAGDEZHB-QNGOZBTKSA-N 372.538 5.440 30 40 FKEB Cc1[nH]c2ccccc2c1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 4923564 BYQQPXRTILLLIQ-DNTJNYDQSA-N 352.652 5.883 30 40 FKEB C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 55459545 DPZXORLWNADUGH-WPZAJUNFSA-N 363.288 5.481 30 40 FKEB CCCCCCCCCOc1ccc(/C=N\c2ccc(CC)cc2)cc1 100167806 JSULNRYOPRWGFZ-QQTULTPQSA-N 351.534 7.129 30 40 FKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N 225675918 DXOBULIIVXDGQN-UHFFFAOYSA-N 362.473 5.188 30 40 FKEB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 225756089 NLLIRZPNFFHVOM-UHFFFAOYSA-N 362.473 5.188 30 40 FKEB Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 408737599 FMKQIGJTMNMXAV-CIAFOILYSA-N 353.809 5.406 30 40 FKEB N#Cc1ccsc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 609647029 QNFRCHUNAKMQLJ-UHFFFAOYSA-N 371.421 5.213 30 40 FKEB CCCCCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 2668014 CQWHWIJFAHJIHS-UHFFFAOYSA-N 373.544 7.187 30 40 FKEB CCCCOc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 4194658 IBTJSHUQCGMHQB-UHFFFAOYSA-N 354.475 5.124 30 40 FKEB Clc1ccc(/C=N/Nc2nc3ccccc3c3ccccc23)c(Cl)c1 4834552 JKVLITMWOAMKGI-FSJBWODESA-N 366.251 6.141 30 40 FKEB CC(C)c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 5003200 NOGPOTKWZZKMSD-FOKLQQMPSA-N 350.491 5.140 30 40 FKEB COc1ccc2cc(C(=O)/C=C/c3ccc(N4CCCCC4)cc3)ccc2c1 5897395 BIKVYIJFGKHVHV-VGOFMYFVSA-N 371.480 5.735 30 40 FKEB CCCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9197709 WDCVJHOVUCCBAY-SSDVNMTOSA-N 360.288 5.482 30 40 FKEB COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O 20242190 SUOSYMZXCLSURC-MFKUBSTISA-N 361.485 5.619 30 40 FKEB N#Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226339660 OENHDMZDXDSTKM-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408621490 MOIQWBSKBGZOPZ-DHZHZOJOSA-N 370.279 6.297 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409082926 RKYKYVVUKJXIGN-CVKSISIWSA-N 373.496 5.813 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 409201394 MQUSDIZUCWBACN-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccccc1 2219679 SKPUDFCLRLREET-JOCHJYFZSA-N 358.868 6.683 30 40 FKEB Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/N=C/c1ccccc1 2576646 HBLCBUKUOZOGKC-OIEABDAFSA-N 358.228 5.410 30 40 FKEB COc1ccc(Br)cc1/C=N/Nc1ccc(Cl)c(Cl)c1 4919703 STRDDXDAWNEOMV-QGMBQPNBSA-N 374.065 5.211 30 40 FKEB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3ccccc3)ccc1C#N)C2=O 5393118 ASRKMGFOXOKHTE-PERKRYKHSA-N 362.498 5.106 30 40 FKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccccc2C(F)(F)F)c1 6047217 NHXQHSXKLGZSHF-LIMNOBDPSA-N 366.692 5.824 30 40 FKEB C=CCn1c(S[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC 8132736 QFLKSKMDHHMUOK-AWEZNQCLSA-N 369.465 5.132 30 40 FKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccccc1 12375941 RWTIAVYPUHTIPX-ZHZULCJRSA-N 358.418 5.235 30 40 FKEB CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 100543361 HTTVHUFQHYFCLY-UHFFFAOYSA-N 362.539 5.550 30 40 FKEB CCCCCCCCc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1 100566250 MGADALABQVYORH-UHFFFAOYSA-N 352.400 5.945 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 103724196 YWQIMDKWQDSVML-FYJGNVAPSA-N 359.410 5.622 30 40 FKEB C=CCC(C(=O)Nc1ccc(OC)cc1)(c1ccccc1)c1ccccc1 225935421 PVKRNSKRZUFJBE-UHFFFAOYSA-N 357.453 5.196 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3)c2C)cc1 408938865 SLEVVWSYTPTVDC-DHRITJCHSA-N 371.406 5.867 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2cc(C(=O)O)ccc2C)c1C 408964588 CVABPEIQHGEXIM-OYKKKHCWSA-N 360.457 5.414 30 40 FKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1Cc1ccccc1 409095445 HOIHXSKXZAHPLR-OPEKNORGSA-N 372.394 5.013 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C#N)C1 1959702 OGMFLIZMSJZXSJ-BIPYJSMBSA-N 356.878 5.050 30 40 FKEB C=CCOc1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3359256 XTBDEWJKCIDPDV-UHFFFAOYSA-N 365.260 5.222 30 40 FKEB CCCCCCCCCCOc1ccc(C(=O)Nc2cccnc2)cc1 8397202 CGTJHZBYOJWHKY-UHFFFAOYSA-N 354.494 5.853 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] 8443706 FZTPVUZARUFXGY-UHFFFAOYSA-N 364.486 5.853 30 40 FKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(C)cc(C)c1 16805972 NVZVYPCIIMDYOX-UHFFFAOYSA-N 366.468 5.757 30 40 FKEB C=CCSc1ccccc1NC(=O)CCCc1nc2ccccc2s1 36397842 UKWLVNWNUFTLRN-UHFFFAOYSA-N 368.527 5.536 30 40 FKEB Cc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 41549080 FBLROEVEMJLTNB-ZDUSSCGKSA-N 360.360 5.114 30 40 FKEB CCCCCCCCCCn1c(-c2ccc(OC)cc2)nc2ccccc21 50861326 LFKQDSSPAKKGTG-UHFFFAOYSA-N 364.533 6.853 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 409189989 PGSDCFMMOPDOSM-ZVHZXABRSA-N 366.892 6.205 30 40 FKEB O=C(/C=C/c1cc2c(s1)-c1cc(Cl)ccc1OC2)c1ccc(F)cc1 5252629 YTEQLCWNHLNPOF-VOTSOKGWSA-N 370.832 5.996 30 40 FKEB Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 6190073 ZYVNICSAJMFSSO-WPWMEQJKSA-N 362.432 6.544 30 40 FKEB C=CCc1ccc(Oc2ccnc3cc(C(F)(F)F)ccc23)c(OC)c1 8623445 FEFPNNDKIHHZNU-UHFFFAOYSA-N 359.347 5.783 30 40 FKEB CCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 8993049 PQZVHUZQJJEIAT-NSHDSACASA-N 356.457 5.625 30 40 FKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)C(C)C)c(Cl)c2s1 72228994 LUCQAPCFJNNWTQ-UHFFFAOYSA-N 359.282 5.005 30 40 FKEB Clc1cc(Cl)cc(/N=C\C=C\Nc2cc(Cl)cc(Cl)c2)c1 104313287 WCKYYJKBGZSGCJ-MOFRGKDSSA-N 360.071 6.628 30 40 FKEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408776235 XFHRCTIGBYISIA-UCQKPKSFSA-N 352.865 5.375 30 40 FKEB Cc1[nH]c(=N)c(C#N)c(-c2ccc(OCC(C)C)cc2)c1-c1ccccc1 408979304 MJBUHNRRHUUQQX-UHFFFAOYSA-N 357.457 5.043 30 40 FKEB N#Cc1c(/N=C/c2cccc(O)c2)oc(-c2ccccc2)c1-c1ccccc1 409141274 MSJJDTFOTNSITK-WGOQTCKBSA-N 364.404 5.941 30 40 FKEB COc1ccccc1OC(F)(F)C(F)(F)c1ccc(C(F)(F)F)cc1 1083811061 RCBZDFWXKNHTLM-UHFFFAOYSA-N 368.248 5.478 30 40 FKEB CSc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1878541 YHZHGONIXFVHTD-OEAKJJBVSA-N 374.534 6.744 30 40 FKEB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 4320316 HJJUMAJDTXRFMA-LPYMAVHISA-N 359.385 5.311 30 40 FKEB COc1ccc2ccccc2c1/C=N/N=c1/[nH]c(-c2ccc(C)cc2)cs1 11991988 OJJZCQMQCKAYGV-YDZHTSKRSA-N 373.481 5.148 30 40 FKEB O=[N+]([O-])c1ccc(/C(=N/Nc2ccccc2)c2ccc(Cl)cc2)cc1 16951714 RVADDMIWYPTPGI-ZBJSNUHESA-N 351.793 5.113 30 40 FKEB C=CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)c2ccccn2)cc1 27661973 PATXXICQFCTJQJ-UHFFFAOYSA-N 372.468 5.056 30 40 FKEB Oc1ccc2ccccc2c1/C=N\c1ccc(Br)c(Cl)c1 32101509 IIEZSSLNBBFQHN-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB Fc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl 59302145 SJDZFNOLJZARLR-DJKKODMXSA-N 371.637 5.185 30 40 FKEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 72229793 KRGZZUQUNJTAKY-JJFYIABZSA-N 372.881 5.400 30 40 FKEB Cc1ccc(C(=O)/C=C\C2=C[C@H]([C@@H]3CCCCCN3)c3ccccc32)cc1 97447427 AESHSURTBODTEF-MNAGKXPHSA-N 357.497 5.447 30 40 FKEB CCCCCCCCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1 100166196 KELVVZFTTYSOQH-YYADALCUSA-N 365.561 7.519 30 40 FKEB O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 100437010 GREKRRJHAWDIHC-GAADFGEESA-N 362.498 5.623 30 40 FKEB CCOC(C/N=C\c1cc(C)c2sc3ccccc3c2c1C)OCC 104095001 OIXBQFHAYLPPLP-UUYOSTAYSA-N 355.503 5.489 30 40 FKEB Cc1ccc(NCC2(CC#N)CC2)cc1Oc1ncccc1Br 594707158 KSUDQBMBCSFZSH-UHFFFAOYSA-N 372.266 5.051 30 40 FKEB FC(F)(F)C(F)(CCOc1ccc(Br)cc1)C(F)(F)F 1083811053 PYVWHAKQMWGUKU-UHFFFAOYSA-N 369.074 5.051 30 40 FKEB N#Cc1c(NC(=O)CCSc2ccc(F)cc2)sc2c1CCCCC2 4496842 MDSMGDGHJGYJHO-UHFFFAOYSA-N 374.506 5.149 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccccc3O)C2=C(O)C1 4675434 UJABLNHTCHVCFC-IBGZPJMESA-N 365.473 5.206 30 40 FKEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 4739151 ILNDZSZMLOJPSY-UFFVCSGVSA-N 360.196 5.702 30 40 FKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 5589090 FWNZONNUYRDUCB-KTKRTIGZSA-N 370.168 5.276 30 40 FKEB O=[N+]([O-])c1ccc(/N=N\C(Cc2ccccc2)=N/Nc2ccccc2)cc1 104138973 IIWSYCPYQWJAEC-AJVDQADQSA-N 359.389 5.347 30 40 FKEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408533751 SBPQOXMXRWNPIT-UHFFFAOYSA-N 366.244 5.209 30 40 FKEB CC(C)N(/N=C/c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 408892169 GVBFAVAGGQELFS-VXLYETTFSA-N 352.221 5.151 30 40 FKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc2ncccc2c1 408966338 LTEVPNZGIUMKAF-QQXSKIMKSA-N 368.484 5.459 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 409062847 BRQXQWVALXAHMF-MFKUBSTISA-N 374.509 6.191 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc4c(c3)OCCO4)ccc21 978097 KIXNCXNOJWOZGW-BUVRLJJBSA-N 356.425 5.336 30 40 FKEB C=CCSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 4113196 LHZAIHJJQNBJBC-UHFFFAOYSA-N 361.297 6.329 30 40 FKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1 4280468 PCTWPKLTQOSEEH-FOCLMDBBSA-N 358.440 7.042 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCC2 4736788 TVOYCIKDYDAWGL-ACCUITESSA-N 374.465 5.410 30 40 FKEB N#Cc1nc(-c2cccs2)oc1Sc1ccc(Br)cc1 28405563 CXXZSMWTWRWAAH-UHFFFAOYSA-N 363.261 5.188 30 40 FKEB CC[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1 98086565 CVWQCSAQFJWZAS-AWEZNQCLSA-N 351.837 5.472 30 40 FKEB C(=N\c1ccc2[nH]c3ccc(/N=C\c4ccccc4)cc3c2c1)\c1ccccc1 101131986 ADLAGHAWPHZCJN-HJTNQMAYSA-N 373.459 6.822 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(Cl)c2C)c1C 408847721 RGUHRVAKVVVDJQ-AFUMVMLFSA-N 364.920 6.677 30 40 FKEB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C#N)c2c1 892241 ODRHXMFPRGYYSA-UHFFFAOYSA-N 363.420 5.334 30 40 FKEB Cc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1 102667200 UMZUPSIXMZIYFA-FQEVSTJZSA-N 369.464 5.773 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)C 6389316 OYNJHBVEVMLVIP-XBXARRHUSA-N 365.256 5.685 30 40 FKEB O=C1CCCCC/C1=C\Nc1ccc(Br)cc1Br 6896217 HNAONSKAJCOPBC-MDZDMXLPSA-N 373.088 5.041 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 8084718 HKCJCHSYQGYXEY-AFUMVMLFSA-N 367.851 6.371 30 40 FKEB CSc1nc(NCC(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820331 JOFVOTUXSSBUHY-UHFFFAOYSA-N 354.523 5.103 30 40 FKEB Cc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccccc2)cc1 59463803 FFHWFOWHXULKLV-LFVJCYFKSA-N 354.478 6.536 30 40 FKEB N#Cc1c(S[C@@H]2CCCCC2=O)nc(-c2ccccc2)c2c1CCCC2 170622678 STDDXIIAIBGWPR-HXUWFJFHSA-N 362.498 5.103 30 40 FKEB C=CCOC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 226236841 ZVVWKZUIGSMNSQ-UHFFFAOYSA-N 362.816 5.379 30 40 FKEB CCCOc1ccccc1/C=N\c1sc2c(c1C(=O)OCC)CCCC2 408603459 QYSFIYJEVYTJTN-HMAPJEAMSA-N 371.502 5.343 30 40 FKEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 408774685 QCWCTIJQIPNLHM-QRVIBDJDSA-N 366.848 5.285 30 40 FKEB COC(=O)c1ccccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408932497 COZFGZLHANRAJZ-CFRMEGHHSA-N 372.346 5.033 30 40 FKEB COc1ccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1 409119665 SNZURMOGWRHEHE-PCLIKHOPSA-N 369.420 6.097 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)cc1 409186806 ICPZSHBXROIIQT-HMAPJEAMSA-N 363.417 5.152 30 40 FKEB C[C@H]1CCc2sc(NC(=O)c3cccc(C(F)(F)F)c3)c(C#N)c2C1 1518440 PTOZPCPQBDHQGJ-JTQLQIEISA-N 364.392 5.016 30 40 FKEB O=C1/C(=C/c2ccccc2F)Oc2cc(OC/C=C/c3ccccc3)ccc21 8990616 QYEYQJBMGYSKNC-VJWOQVONSA-N 372.395 5.534 30 40 FKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccccc3)cc2[N+](=O)[O-])cc1 32124827 IEDOIEAJFQLLDV-STZFKDTASA-N 363.442 5.500 30 40 FKEB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC(C)CC1 225857063 ORUYGMGGDJNNRE-PSCUFVCCSA-N 372.509 5.050 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc4ccccc34)c2C#N)C1 409087986 VLPIFZOGPDYWMY-GTPWMTBTSA-N 372.537 6.675 30 40 FKEB CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 710655 NURCMHQWKQQQOI-VWLOTQADSA-N 369.464 5.912 30 40 FKEB O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCc3ccccc3)ccc21 11865219 HYWSYIGWVUVTIO-MTJSOVHGSA-N 362.812 5.535 30 40 FKEB COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cccc(C)c1O 16362332 FXUOQMPNSXJWCI-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB CN1/C(=C\C(=O)CSCc2ccc(Cl)cc2)C(C)(C)c2ccccc21 18081316 NPRINZAMGPYTPD-NDENLUEZSA-N 371.933 5.454 30 40 FKEB CCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 97954973 RCDJLLCGWYSSRF-UHFFFAOYSA-N 351.881 6.362 30 40 FKEB CCCCCCCCCCCCCCCCNCCCCCC(=O)O 104338779 GOWCFTMXXXIBGF-UHFFFAOYSA-N 355.607 6.702 30 40 FKEB Cc1ccc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)c1 113854043 SEMPUCRIJUHTGS-CIAFOILYSA-N 369.262 5.772 30 40 FKEB COc1ccc(Cl)cc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 408957810 WEWYMFYIMYRFDD-LSHDLFTRSA-N 354.793 5.441 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1cccc(F)c1 409212261 PDJSMKQRYMMFMJ-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(C)o2)n2c(nc3ccccc32)N1 1078323 OCWFAKZNZWQGNZ-NRFANRHFSA-N 369.424 5.110 30 40 FKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1 3025663 CGHQRUNLTCZDOC-BELFRPKZSA-N 369.380 5.819 30 40 FKEB Clc1cc(Cl)c(N/N=C/c2nc3ccccc3s2)c(Cl)c1 4183874 KLNKJJOXTUBEIH-CNHKJKLMSA-N 356.665 5.703 30 40 FKEB C/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(C(C)(C)C)cc1 4871720 ZXBCVDQRMQBIPN-XQNSMLJCSA-N 353.535 5.312 30 40 FKEB C=CCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9196806 WJTZGBFZXIZOLP-UFFVCSGVSA-N 369.679 5.335 30 40 FKEB CSc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 14671946 HFOYFHRPXLIMJK-FQEVSTJZSA-N 353.512 5.675 30 40 FKEB CC(C)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 59500241 HZZLWFDDCUAFFV-NLRVBDNBSA-N 365.480 6.413 30 40 FKEB CCCCCCCCCCCCCCCCS/C(=N\CC)NCC 95902550 XGIDGJASGYIQDR-UHFFFAOYSA-N 356.664 7.186 30 40 FKEB CC/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc(C(C)C)cc1 103371366 PDIVOSRRYVFKFZ-BXWSFNFDSA-N 367.493 5.282 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 408760690 DGAZPYKPMATYRD-OEAKJJBVSA-N 361.445 5.624 30 40 FKEB N#Cc1c(-c2ccc3[nH]c4ccccc4c3c2)c(-c2ccccc2)c[nH]c1=N 408981996 XDHGHOFBTJJIBC-UHFFFAOYSA-N 360.420 5.334 30 40 FKEB COc1ccc2ccccc2c1/C=N/c1ccc(C)c(Br)c1 1087190 RBHCMVZCECPIRQ-CIAFOILYSA-N 354.247 5.670 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)Sc2ccccc21 2494610 MKIZDUVVPHBVDZ-ZDLGFXPLSA-N 373.260 6.583 30 40 FKEB O=C1C2=C(c3ccccc31)c1c(ccc3ccccc13)N[C@@H]2c1ccccc1 3470881 JUWBBGYVSGBZKQ-RUZDIDTESA-N 359.428 6.005 30 40 FKEB CC(=O)Oc1ccc(/C=N/c2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 4381068 ZKDDVNCJPUIWJI-IOFATVNJSA-N 369.420 5.259 30 40 FKEB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 4712977 DGKAJFBWCOTIQA-PKBXYDTDSA-N 373.537 5.347 30 40 FKEB C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c(O)c1 5451450 NBPIBLBFQZHKJV-UHFFFAOYSA-N 355.821 5.631 30 40 FKEB biogenic CCCc1cc(Nc2ccc(C(C)C)cc2)n2c(nc3ccccc32)c1C#N 9359546 OVBPAPBHRCEZPX-UHFFFAOYSA-N 368.484 6.179 30 40 FKEB Cc1cccc(Cl)c1N/C=C/C(=O)c1ccc(Br)cc1 51318602 XZZKUBRYAHKXPU-MDZDMXLPSA-N 350.643 5.219 30 40 FKEB CCc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)cc1 55129802 MNIYMMRVWSQSAT-CCEZHUSRSA-N 357.497 5.441 30 40 FKEB Oc1ccc2ccccc2c1/C=N\c1ccc(-c2cn3ccccc3n2)cc1 101206327 QCNGURAQQCHBDL-MYYYXRDXSA-N 363.420 5.611 30 40 FKEB C(=C\Nc1ccc(-c2ccccc2)cc1)\C=N\c1ccc(-c2ccccc2)cc1 104313275 NMTVOLGEUFUEOW-UIJIQULRSA-N 374.487 7.349 30 40 FKEB C/C=C/CCCCCC[C@H](CCCCCCC)OC(=O)c1ccccc1O 137079132 QIPKHCFTUSJWMP-GUWAZMKPSA-N 374.565 7.195 30 40 FKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cccc(Br)c2)C1 408563980 TZDJYLMMUBIUSR-FNDVETGQSA-N 350.300 5.550 30 40 FKEB C=CCOc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 408613577 YHBANXBQILDNJU-UHFFFAOYSA-N 370.649 5.419 30 40 FKEB CC[C@H](C(=O)C=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2049241037 MDGSZSJIRYOQHA-ZJDLJICXSA-N 356.506 5.299 30 40 FKEB C=CCSc1nc(SCCC)nc2sc3c(c12)CC(C)(C)OC3 2399322 CAPSOHHXIGNXTG-UHFFFAOYSA-N 366.577 5.323 30 40 FKEB N#Cc1c(-c2ccc(Br)cc2)csc1Nc1ccccc1 3224991 CDBCFCARWRXVBV-UHFFFAOYSA-N 355.260 5.793 30 40 FKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1cc2ccccc2o1 4924327 FXCPCHKYXPFDJI-LSHDLFTRSA-N 352.743 5.941 30 40 FKEB Cc1ccc(/N=C2\S/C(=C/Nc3ccc(C)c(Cl)c3)C(=O)N2C)cc1 6426560 MQZBNZRTBYXCFL-AVJLYGTLSA-N 371.893 5.103 30 40 FKEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1c[nH]c2ccccc12 8073143 ZEJYJQHFQCLDQM-UHFFFAOYSA-N 358.894 5.030 30 40 FKEB Cc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 8371735 VZPZIJYLGCKYTO-JVWAILMASA-N 369.439 6.617 30 40 FKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCc2ccccc2)n1 9422969 UJHTWKSKSSSNRV-UHFFFAOYSA-N 364.436 5.604 30 40 FKEB N#Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)c(C(F)(F)F)c1 12621865 XYUGZRDGGJESTF-UHFFFAOYSA-N 364.710 5.229 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 408915035 OXJOMEVJPWPLJQ-KLPPEWMLSA-N 350.487 5.317 30 40 FKEB C=CCn1c(SCc2ccccc2C)nnc1-c1ccc(Cl)cc1 2452725 FMGFBQOMCXCKCC-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3961750 RTMVFRLKMNQTIF-HZHRSRAPSA-N 371.465 5.629 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1C[C@H]2c1c[nH]c2ccccc12 5421435 OVOQEGFNDXCOFU-KRWDZBQOSA-N 356.469 5.563 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(F)cc1 8368695 RGNLHBQDQALCHG-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB Cc1cc2c(cc1C=C1C(=O)c3ccccc3C1=O)[C@@H](C)CC(C)(C)N2C 113777727 BUFICFQQYWVYTN-HNNXBMFYSA-N 359.469 5.180 30 40 FKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 408740842 NDQXGDRJAZGOQY-YZSQISJMSA-N 373.544 6.208 30 40 FKEB CCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(Cl)cc1OC 408936161 ONPSHJNVAGYNRW-YVNNLAQVSA-N 372.774 5.212 30 40 FKEB O=C(/C=C/Nc1ccc(Br)cc1)c1cccc2ccccc12 409178234 JPFOMSYAUXXINT-OUKQBFOZSA-N 352.231 5.411 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)cc1 409188386 YUUYXTKXGMFJLS-WYZSWBMLSA-N 374.528 6.757 30 40 FKEB CCCCCCCCc1cc2c(Br)sc(C=O)c2s1 1776010827 BSMJWDJUHRIHDN-UHFFFAOYSA-N 359.354 6.441 30 40 FKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1ccc(C(=O)O)cc1 2037854274 GJFIJJBYWAXQDE-MYDCNYLUSA-N 370.876 5.864 30 40 FKEB N#Cc1ccc(-c2cccs2)nc1SCc1c(F)cccc1Cl 850061 URJMXLYGJGEAIO-UHFFFAOYSA-N 360.866 5.767 30 40 FKEB COc1cccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)c1OC 5211035 OXOOWKAQWKFVBS-FOCLMDBBSA-N 374.436 5.179 30 40 FKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 6961226 GOBQAFOIPQXDSE-WGOQTCKBSA-N 373.496 6.340 30 40 FKEB O=[N+]([O-])c1ccc(/N=C(\Cl)N(c2ccccc2)c2ccccc2)cc1 17424478 CYLPQCPAFCRLLK-XUTLUUPISA-N 351.793 5.659 30 40 FKEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249958 NTBBJZSNEBOLTD-YDZHTSKRSA-N 366.848 5.065 30 40 FKEB C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 78532154 CIOXATBSRMENGI-UHFFFAOYSA-N 355.743 5.176 30 40 FKEB CCCCCCCCCCCC[PH](CCCC)(CCCC)CCCC 104361191 MNATZCXKUUYIAY-UHFFFAOYSA-N 372.662 9.058 30 40 FKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 225247083 LSQNXCHDWJXDRA-QFIPXVFZSA-N 364.464 5.462 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)cc1 225712044 RLWPWMIQHNNJSK-HXUWFJFHSA-N 354.519 5.306 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 409199241 AKGIPHSQZRVVLR-CFRMEGHHSA-N 370.279 6.631 30 40 FKEB COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)c2c(OC)cccc12 2054210 FCBZQKPVOFZVPA-YZSQISJMSA-N 367.448 6.275 30 40 FKEB CCC(C)(C)C1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 4568081 CXNCDDOYBWMOBJ-WXUKJITCSA-N 356.556 6.692 30 40 FKEB CN(C)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(C)C)cc2)cc1 5328515 YVDRPYNZZVLTDC-RPCRKUJJSA-N 370.500 5.320 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)ccc1O 12747341 RYUHDXBURIOYCW-UXBLZVDNSA-N 370.351 5.052 30 40 FKEB CCCCC1CCC(c2nc(C#N)c(NCCCN3CCCCC3)o2)CC1 16753992 KDIFPFNKOKLNDC-UHFFFAOYSA-N 372.557 5.298 30 40 FKEB Clc1ccc(/N=C/c2ccccc2OCc2ccccc2)c(Cl)c1 100402646 SZCDYOYMKZVBNB-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@@H](C[C@@H](C)SCC)C1 100858573 UNYHPEBIVPSHTA-SJORKVTESA-N 367.599 5.290 30 40 FKEB CCCCCCCCNCc1cccc(OCc2ccc(Cl)cc2)c1 102561982 MKUUOMDCVNETQQ-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccccc3F)cc1)C2 408730686 HAUNVEMRHHRAST-FMIVXFBMSA-N 371.455 5.859 30 40 FKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21 408754549 KTOREADWZNOSMG-QHRIQVFBSA-N 369.783 5.085 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(C)=O)cc2)c1C 408962000 WUGASVZETXSWEH-MFKUBSTISA-N 358.485 5.918 30 40 FKEB N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccc(Cl)cc1Cl 948979 HXULSJFPTOIRAT-UHFFFAOYSA-N 357.196 5.377 30 40 FKEB N#Cc1ccc(-c2ccc(Oc3ncnc4sc5c(c34)CCC5)cc2)cc1 3296584 PGXKKZBWNPCERH-UHFFFAOYSA-N 369.449 5.511 30 40 FKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(O)cc1 5215045 RSRCFRRCHQCGFL-RMKNXTFCSA-N 359.208 5.855 30 40 FKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccccc1O 5260982 MQVUDOVJEVDBFK-DEOSSOPVSA-N 369.464 5.855 30 40 FKEB COc1cc(C#N)ccc1OCc1cc2ccc(SC)cc2nc1Cl 6607826 NDWSJCLAXBVTMD-UHFFFAOYSA-N 370.861 5.069 30 40 FKEB O=C(/C=C\Sc1nc2ccccc2o1)c1ccc(Br)cc1 6942965 OUAXBGTYLMIQQM-KTKRTIGZSA-N 360.232 5.079 30 40 FKEB CCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1F 102568136 CFYLPSTUZFZTPR-UHFFFAOYSA-N 363.904 6.118 30 40 FKEB CCCCCCCCCCCCCCCSc1ccc2ccccc2c1 104134591 KLYWYPGRNUVIIU-UHFFFAOYSA-N 370.646 9.023 30 40 FKEB Cc1cccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409380028 GCEFZRLTHSBBKJ-MYYYXRDXSA-N 372.468 5.380 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(C(C)C)cc4)cc3)sc2c1 2839571 QJZRJDVLJHSZKW-MFKUBSTISA-N 370.521 7.146 30 40 FKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 3666188 BDYUCQDKSINQLM-GCMSVZMUSA-N 365.546 5.587 30 40 FKEB O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(N2CCCCCC2)cc1 5898380 KXTDIHALKMHKIG-SDNWHVSQSA-N 373.418 5.982 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C#N)C1 5901897 DIQPNBRCLVVAIF-LLVKDONJSA-N 373.909 5.071 30 40 FKEB CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(C)cc3)cc2c1 6846853 HTKHCHHHGCCYBK-DHZHZOJOSA-N 351.833 5.491 30 40 FKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)cc1 6869025 GERXIFYAWDQPHJ-AQTBWJFISA-N 354.450 5.060 30 40 FKEB CCCCCCCCCCCCCCCCNC(=O)[C@H]1CCCN1C 8457018 IWROSCADYPUKCR-OAQYLSRUSA-N 352.607 5.678 30 40 FKEB CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2ccc(Cl)cc2)C1=O 89392234 LAVGDRDRBJXNQN-TXUZILRVSA-N 360.284 5.245 30 40 FKEB CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C 111868314 WLMTYYBAGSMBPQ-UHFFFAOYSA-N 354.619 7.980 30 40 FKEB CCCCCCCCCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3188539 WVLATRYUVKVSPH-UHFFFAOYSA-N 360.454 5.112 30 40 FKEB N#Cc1ccc(C(=O)N2/C(=N/c3ccccc3)SCc3ccccc32)cc1 3421097 ACMKHHKUEHWOEO-GYHWCHFESA-N 369.449 5.140 30 40 FKEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4031676 MEKFWSMLNMWQPH-UHFFFAOYSA-N 374.252 5.241 30 40 FKEB CC(C)Cc1ccc([C@H](C)/C=C2\CC[C@H](CN3CCCCC3)C2=O)cc1 5732446 ZKLVNVLQZNFKHL-RGEZATBYSA-N 353.550 5.380 30 40 FKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/N=C(/N)S 5782426 YRHMFELWQFBOTP-VJVOSHJKSA-N 358.338 5.578 30 40 FKEB Cc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 8811608 JNMKMMBBBYYIOP-ZVHZXABRSA-N 364.876 5.351 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)oc2c1 14920693 NWRLFMSROHBVPA-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)cc1Br)c1ccc(Cl)cc1 32100146 IZYBQNTYVOEGQC-BQYQJAHWSA-N 371.061 5.564 30 40 FKEB CCN1c2cc(C)c(/C=N/c3ccccc3OC)cc2[C@@H](C)CC1(C)C 198100781 MYJXJAMIGNXPRW-SYXCRGJESA-N 350.506 5.866 30 40 FKEB N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1 225881900 FIISMCFYBLBSTB-UHFFFAOYSA-N 358.228 5.089 30 40 FKEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccccc3Cl)nc1-2 408723520 WEYOEXBSTUJWLL-AWQFTUOYSA-N 356.834 5.115 30 40 FKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408967801 SFJGIPVGAMTIRF-PCLIKHOPSA-N 360.501 6.151 30 40 FKEB Cc1nn2cc(C#N)c(-c3ccc(F)cc3)nc2c1-c1ccc(Cl)cc1 2339319 DKOZNEFIWCNRNX-UHFFFAOYSA-N 362.795 5.036 30 40 FKEB N#CCCN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 2623896 SBTHYEIKXLXKTM-UHFFFAOYSA-N 365.285 5.032 30 40 FKEB Cc1ccc(Cl)c(/N=C/C=C2/N(C)c3ccccc3C2(C)C)c1Cl 3265941 UZXKERZIPOGNLD-ZSZRBZNDSA-N 359.300 6.316 30 40 FKEB N#Cc1ccccc1CSc1nnc(-c2ccco2)n1C1CCCCC1 5230812 LRWWSVFNZIFSRK-UHFFFAOYSA-N 364.474 5.207 30 40 FKEB N#Cc1ccccc1NC(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11689813 OMPYSZLEOUHGCZ-UHFFFAOYSA-N 373.799 5.272 30 40 FKEB CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663865 QAIXCNXSDYZMTG-HAVVHWLPSA-N 353.462 5.875 30 40 FKEB Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118928019 AZOKMFUETPLROZ-BIFLGSCQSA-N 366.549 5.415 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1C 213160812 YNONZOMMRRUZDE-QNQNADBQSA-N 364.514 5.606 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc3ccccc23)C(=O)N1C 408908496 FHUWJQMGWDMNMG-NVZLDUMVSA-N 372.493 5.636 30 40 FKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408914583 OGDRYMAOZNVCMH-ZMMZXMISSA-N 350.487 5.398 30 40 FKEB CCc1ccc(C(=O)/C=C/Sc2ncc(C(F)(F)F)cc2Cl)cc1 2573064 FEGUEZWSCXIGEY-BQYQJAHWSA-N 371.811 5.805 30 40 FKEB COc1ccc(C(=O)/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 5714756 GVSPXQVUXHMUMA-MDWZMJQESA-N 366.501 5.892 30 40 FKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C\c1cccc(Cl)c1 12375948 ADMJUEWONNHPPH-QRVIBDJDSA-N 354.236 5.975 30 40 FKEB Clc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)c(Cl)c1 33468246 VFQWWPKBQICNLP-FBHDLOMBSA-N 371.227 5.576 30 40 FKEB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 59770238 REQDBGIWNDYVLF-UHFFFAOYSA-N 373.456 5.029 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1 100984822 WJWAWHQJIVUVGL-UHFFFAOYSA-N 365.646 7.697 30 40 FKEB CCC1=C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 102942006 MNGHRFLADCZLEV-OAQYLSRUSA-N 373.496 6.103 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 104377618 JGHVKTBNPLLCNM-JWQCQUIFSA-N 364.682 7.734 30 40 FKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccccc2C)c1 409201174 KDWHXYJYAWDZAX-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB COc1cccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(C)o3)cc2)c1 409349216 SAEGOQXCAYSVPS-FYWRMAATSA-N 363.413 5.588 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(NC(C)=O)cc2)cc1OC 409389065 ZBAWKCQRHMZUBG-UMYHVIPVSA-N 374.868 5.235 30 40 FKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(OC)c1O 6449786 PXVVVQVVWIHIRH-DQAKUKQTSA-N 362.267 5.427 30 40 FKEB CCOc1cc(C)c(/C=N/N(c2ccccc2)c2ccccc2)cc1C(C)C 6844643 JOYFTJXMJIIEPY-NLRVBDNBSA-N 372.512 6.689 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 118914423 DGKAJFBWCOTIQA-VBDUCNQISA-N 373.537 5.347 30 40 FKEB Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1C 225885855 ALHCKVXYGUGWSO-UHFFFAOYSA-N 351.837 5.053 30 40 FKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408906441 BMTCKJYTJPNFJZ-KLPPEWMLSA-N 366.486 5.098 30 40 FKEB CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1cc(C)ccc1C 408912182 PHCYARFMFBERJU-KRICTJEJSA-N 356.516 5.297 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)cc1 409102779 FCYKGIRAXVRMSL-CCEZHUSRSA-N 363.844 6.249 30 40 FKEB Fc1cccc(CO/N=C/c2cccnc2Sc2ccc(Cl)cc2)c1 3105170 DXYYMMKFFBNDRA-FSJBWODESA-N 372.852 5.576 30 40 FKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 6272106 QEPKOJTUVMXBHU-UHFFFAOYSA-N 351.221 5.116 30 40 FKEB Fc1c(F)c(F)c(/C=N\N=C2c3ccccc3-c3ccccc32)c(F)c1F 16920963 NOQRIWHCKUUTMO-WMDMUMDLSA-N 372.296 5.234 30 40 FKEB O=C1/C(=C\c2ccc(Cl)cc2)CSC/C1=C/c1ccc(Cl)cc1 16958665 NUUZUMOYGRIQFX-VULZFCBJSA-N 361.293 5.776 30 40 FKEB CN1/C(=C\C(=O)c2ccc(Oc3ccccc3)cc2)C(C)(C)c2ccccc21 18089913 PCQMCPDNWOGZJJ-ULJHMMPZSA-N 369.464 5.973 30 40 FKEB N#Cc1ccc(/C=C\c2ccccc2/C=N\Nc2ccccc2)c([N+](=O)[O-])c1 33368254 CHYFQTBWBGACDI-ISMYTQSWSA-N 368.396 5.083 30 40 FKEB CC(C)(C)C1=CC(Br)(Br)C=C(C(C)(C)C)C1=O 35858691 WRRFKBTXZIRGSF-UHFFFAOYSA-N 364.121 5.000 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1cccc([N+](=O)[O-])c1 677609 HNMMTZYQKDAKND-HSZRJFAPSA-N 370.408 5.421 30 40 FKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(=O)C[C@H]2c1cccs1 1079912 ZZMWDJJXFQZJNB-HNNXBMFYSA-N 369.461 5.051 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 1252823 CYGGCEMEOZVFJZ-UHFFFAOYSA-N 371.531 5.067 30 40 FKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc(C#N)cc2)cc1 1565968 MWZAEVGEFBTLHG-NTEUORMPSA-N 361.441 5.330 30 40 FKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1C 2239229 PQBYFUDLXOXFJQ-XMMPIXPASA-N 369.489 6.170 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 8277993 HTTCMSPDRFUBQI-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Cc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 41549078 FBLROEVEMJLTNB-CYBMUJFWSA-N 360.360 5.114 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl 408783106 NEPIKELJYVKYOM-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(Cl)cc2Cl)o1 408962442 SCZNYHQAEFQDGV-YVNNLAQVSA-N 374.223 6.011 30 40 FKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967819 SHKBKMWPEZWPGA-MFKUBSTISA-N 364.920 6.796 30 40 FKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(N(C)C)c1 1021880 NBEBQGBBQNYMJV-UHFFFAOYSA-N 369.472 5.040 30 40 FKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1F 2471353 HBAXNKZIGDRJLC-UHFFFAOYSA-N 368.448 5.226 30 40 FKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1ccccc1F 3257026 IWCVCXHWXWKZHV-UHFFFAOYSA-N 363.413 5.206 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)Cc2ccccc21 6340263 VMYMLVAYKUEPIM-JLHYYAGUSA-N 365.772 5.331 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C4/C(=O)Nc5ccccc54)cc3)sc2c1 12482091 QVJYTOCFGYVGEM-UHFFFAOYSA-N 369.449 5.345 30 40 FKEB C/C(=N\c1cccc(/N=C(\C)c2ccccc2O)c1C)c1ccccc1O 68603049 KUCNIHHVFRWMLN-MUPYBJATSA-N 358.441 5.688 30 40 FKEB CCCCCCCCOCCOC[C@H](O)COCCCCCCCC 100923939 VHDXJQZUGOMCLK-OAQYLSRUSA-N 360.579 5.118 30 40 FKEB CCCCCCCCCCCCC[C@H](O)CCCCCCCC(=O)O 104356628 CCLWQKIJFKKZPD-NRFANRHFSA-N 356.591 6.864 30 40 FKEB CCCCCCCCCCCCCCCC/N=C\c1ccc2c(c1)OCO2 104364179 JVIFNTIEDXETDU-QQTULTPQSA-N 373.581 7.316 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1C 408966180 KHYAFSGKLJYQNP-WGOQTCKBSA-N 358.529 6.759 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 409110917 AUACCLRPBBCZHF-UHFFFAOYSA-N 371.908 5.953 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 409187939 VVSJAEGKRJBZPV-PCLIKHOPSA-N 360.501 6.367 30 40 FKEB Cc1sc(NC(=O)Nc2cccc(Cl)c2)c(C#N)c1-c1ccccc1 2763960 FTBFTVRVFZYCOS-UHFFFAOYSA-N 367.861 5.893 30 40 FKEB CCCCCCCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1 3022802 WGIFJXJMDSRATN-UHFFFAOYSA-N 350.462 6.061 30 40 FKEB Fc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccccc3)n2)cc1 5515303 IVICCGSTYBDIBD-PCLIKHOPSA-N 368.415 5.396 30 40 FKEB CCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC 100501543 COAHVTXOBICIGS-OAQYLSRUSA-N 356.591 6.562 30 40 FKEB CCCCCCCCCCCCCCCCCC[n+]1cccc(C#N)c1 104129410 ZWZVSTNPGUKYJE-UHFFFAOYSA-N 357.606 7.107 30 40 FKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(C(C)C)cc3)cc21 198154012 CUKACOJNOFISQE-AFUMVMLFSA-N 366.936 6.846 30 40 FKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(Br)cc1 408776255 XMXCTKKNOYMQMA-WSDLNYQXSA-N 371.253 5.746 30 40 FKEB O=C1C(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)c2ccccc21 408810100 JWCQEHBDLSCOGL-UHFFFAOYSA-N 374.823 5.382 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1Cl 409203497 YHGNNPQXIPSSOG-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB C=CCOc1cc(N(CC)CC)ccc1/C=N/c1cc(Cl)ccc1O 5311742 MVTDQTOPCHNAOS-HYARGMPZSA-N 358.869 5.207 30 40 FKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O 20646461 XCZKYEHGLIXNSF-ZHZULCJRSA-N 369.461 5.004 30 40 FKEB N#Cc1nc(-c2ccccc2)oc1Sc1ccc(Br)cc1 27663813 GNBLQYHILSFGEM-UHFFFAOYSA-N 357.232 5.127 30 40 FKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4Cl)ccc32)c1 409239579 HJNDNZQGOGUYGR-AFUMVMLFSA-N 362.835 6.233 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(C)C)cc2)cc1OC 409377071 GBARQPREVOIZNO-LJGKHRNASA-N 359.897 6.400 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C#N)C1 995726 BDVLMUCQMISCPS-BUUCAEBMSA-N 370.543 5.484 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 5217255 YTDFADZOLFTDDP-CXUHLZMHSA-N 356.421 5.419 30 40 FKEB O=C(/C=C(\CC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 5224386 CUENDXNDKAMCNN-CAPFRKAQSA-N 360.840 5.879 30 40 FKEB N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1ccco1 5902307 FNWNTCDBPKFVBD-UHFFFAOYSA-N 362.392 5.219 30 40 FKEB Clc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C23CO3)cc1 51330045 XRNIJGTWGQRMME-PWDIZTEBSA-N 357.280 6.413 30 40 FKEB CCCCCCCCCCCCNCCOCCOCCOCCCC 100923443 DTXRXPPSRFORIE-UHFFFAOYSA-N 373.622 5.347 30 40 FKEB CCCCCCCC/C=C\CCCCCCCCNCCC(=O)OCC 101460688 XRLIWQLZLWCKJU-QXMHVHEDSA-N 367.618 6.567 30 40 FKEB C=CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccccc1 103449236 YLCCWBYOLBTXIC-MNVZFQSXSA-N 354.862 5.130 30 40 FKEB CCCCCCCCCCO[P+](=O)OCCCCCCCCCC 103672283 PGWXBHYYRSGZLP-UHFFFAOYSA-N 361.527 7.958 30 40 FKEB Clc1ccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 103749424 DHJGZZSMGVCATD-FSJBWODESA-N 367.235 6.552 30 40 FKEB CCN1c2cc(C)c(/C=N/c3ccc(C(C)C)cc3)cc2[C@H](C)CC1(C)C 198102837 CYPCQVKNWFAIQX-DZTFFZQKSA-N 362.561 6.981 30 40 FKEB C=CCSc1ccccc1C(=O)NCCCc1ccc(C(C)C)cc1 219820216 KCGHPELPQVSPTD-UHFFFAOYSA-N 353.531 5.451 30 40 FKEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222924330 IANKAXVGMVFORK-NRFANRHFSA-N 367.489 5.345 30 40 FKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C(C)C 409097769 OLIOGVZIZQUKPO-ZVBGSRNCSA-N 368.359 5.059 30 40 FKEB C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O 1078028420 OMNJRQNCWHCCBZ-ILUGMNPVSA-N 362.510 5.138 30 40 FKEB biogenic CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccccc3)nc(C)c2C)cc1 4595685 OFOOZAGFMWRJKG-LFVJCYFKSA-N 373.504 5.053 30 40 FKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cccc(C)c4O)c3)oc2c1 4713972 YAPWBXJAXZZYHH-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB O=C(/C=C/c1cccs1)c1ccc(C(=O)/C=C/c2cccs2)cc1 4948819 AWFKHBXZPFZQCK-WGDLNXRISA-N 350.464 5.602 30 40 FKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)cc1 6262057 LFKIBDDZXKUQJQ-ATVHPVEESA-N 370.861 5.637 30 40 FKEB CC(/C=C/c1ccccc1)=N\OC(=O)COc1ccc(Cl)cc1Cl 12362691 NXWUZTSBFSTHSX-WLGVBFMHSA-N 364.228 5.005 30 40 FKEB CSc1nc(Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccccc2)n1 31773897 OOXVJTOSMKXXMB-UHFFFAOYSA-N 360.486 5.604 30 40 FKEB Cc1ccc(O)c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 100930791 XYVAGIVBLOIARZ-RGVLZGJSSA-N 356.219 5.474 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225762058 FSFKNZFIFZWCIA-FQEVSTJZSA-N 354.519 5.244 30 40 FKEB COC(=O)c1ccc(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)cc1 1435262 VPRXBADWYGYBFS-ZVHZXABRSA-N 370.408 5.340 30 40 FKEB biogenic CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccc(O)cc1 4182820 BBSGSCJMIRLUCB-QHCPKHFHSA-N 370.452 5.250 30 40 FKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(Br)cc1 5446565 KFBBNNFQRYVHIA-RMKNXTFCSA-N 356.046 5.652 30 40 FKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 15826336 LOQACNYKUPQIPS-FQEVSTJZSA-N 352.503 5.384 30 40 FKEB CCCCC[C@@H](CSCC)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17125318 JUSWCYBUGDBLAE-KLQCNHIUSA-N 359.362 6.525 30 40 FKEB Oc1c(/C=N/c2ccc(Cl)c(Br)c2)ccc2ccccc12 32101697 GYOMIQWMDLGDRK-KEBDBYFISA-N 360.638 5.712 30 40 FKEB CC(C)Oc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2Cl)cc1 33741328 YBVNOFHZEUNNPB-ZHACJKMWSA-N 350.245 5.589 30 40 FKEB CCN1/C(=C2/SC(=S)[C@H](c3ccccc3)C2=O)Sc2ccccc21 102131259 RGDITFBWNHNVOR-BQASMSSTSA-N 369.536 5.215 30 40 FKEB CC1(C)C[C@@H]2C[C@@](C)(CN2CC#CC[C@](O)(c2ccccc2)C(C)(C)C)C1 102676565 FMISKHXPDOXXJM-SDUSCBPUSA-N 367.577 5.214 30 40 FKEB Cc1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1Cl 409013685 NHKMDORJEZDKDI-CIAFOILYSA-N 373.681 5.952 30 40 FKEB CC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 409016924 BNNQTOMCNUZGTC-CIAFOILYSA-N 371.914 6.506 30 40 FKEB CC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 1056096 ZXISTEGEVDRLAE-BUVRLJJBSA-N 357.409 5.167 30 40 FKEB Clc1cccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1Cl 2052814 VDDRTSXNOAKXND-FSJBWODESA-N 367.235 6.552 30 40 FKEB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2084422 GCOKZAPIFFDGBD-HUUCEWRRSA-N 360.567 5.926 30 40 FKEB CC(C)(C)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5446082 KTJSYZHCFQERNN-SSDVNMTOSA-N 365.355 5.357 30 40 FKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)o1 7871330 LXGUBCNEIYITFB-KLPPEWMLSA-N 360.438 5.397 30 40 FKEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1C(C)C 9197860 CYRZCWGDYYURDX-FOKLQQMPSA-N 374.315 5.961 30 40 FKEB N#Cc1c(SCc2ccccc2)nc(N2CCCCC2)c2c1CCCC2 13809992 HNXFSWREJXPNSE-UHFFFAOYSA-N 363.530 5.115 30 40 FKEB CCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 100297755 IZUINEIOLHLHIT-PMACEKPBSA-N 368.558 5.567 30 40 FKEB CCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530418 GPYWTIGTMLSTRJ-VOTSOKGWSA-N 366.214 6.226 30 40 FKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)c2ccccc12 226362458 KMTPDAYPGFMDLU-ZRDIBKRKSA-N 356.356 5.266 30 40 FKEB C#CCOc1c(Cl)cc(/C=C2\Sc3ccccc3C2=O)cc1OCC 408820680 ZGDLGRWWGUAUAT-PDGQHHTCSA-N 370.857 5.080 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1c(C)cccc1C 408910001 VPQWNKBQPSWTAI-JRLDGGGSSA-N 354.450 5.066 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccco3)cc1)N2 408934769 FZBVDNFSAPGYTL-PHGUOVJZSA-N 354.453 6.165 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409241641 KXBJXARHOKFBRZ-CVKSISIWSA-N 356.444 6.196 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccccc1[N+](=O)[O-] 677614 OMHJXCWXMPLCMC-QHCPKHFHSA-N 370.408 5.421 30 40 FKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C3=C(CCCC3)N4C2=C1 4026647 LNXRKALIIDIDBW-OPXMRZJTSA-N 370.496 5.278 30 40 FKEB biogenic C=C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(CC)CC 4692434 JDYNTSZROVUNQE-AREMUKBSSA-N 369.552 6.308 30 40 FKEB Clc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1Cl 5031756 MHIBUFAKGGNVRG-FMCGGJTJSA-N 351.236 5.845 30 40 FKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1 8570852 HEZPXYZSOWZULN-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c2C)c1 16349895 XYNIOIXINQEADC-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB CCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1 100073836 XQQYMNZQNMFGAR-UHFFFAOYSA-N 368.565 7.006 30 40 FKEB CCCCCCCCCCCCCC(=O)OCCCC[C@@H]1CCCO1 100304485 YNBODGDUUODERH-OAQYLSRUSA-N 354.575 6.580 30 40 FKEB CCCCCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 100323084 WASWHLZLAREPJK-UHFFFAOYSA-N 374.565 6.342 30 40 FKEB CC(C)CC[C@]1(CC/N=C/c2ccc(N(C)C)cc2)CCO[C@H](C(C)C)C1 100761309 XFEGJCRHNUKDAC-JHMAFAHISA-N 372.597 5.819 30 40 FKEB biogenic CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 100929809 PNSLDFSWGWJLPV-YFJKJPLSSA-N 370.478 5.332 30 40 FKEB CCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 199788779 IYAUTGRZIRZZES-KTKRTIGZSA-N 358.288 6.761 30 40 FKEB Cc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)cc1Cl 226361805 CYYSFEYTPKZPBE-UHFFFAOYSA-N 360.800 5.423 30 40 FKEB CCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccc(Cl)cc1 409078392 CFFMWJAESYTTBK-FMIVOPDJSA-N 360.866 5.255 30 40 FKEB N#Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409245112 NOPHAYWCGMLECD-YSMPRRRNSA-N 353.400 5.451 30 40 FKEB CCCc1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 4499449 VJRLGBMZMANDEK-DJKKODMXSA-N 368.658 5.217 30 40 FKEB CC/C(=C\C(=O)c1ccc(OC)cc1)Nc1ccc(Cl)c(Cl)c1 4832549 TUWNCYOAGCBXAA-ACCUITESSA-N 350.245 5.591 30 40 FKEB N#C/N=C(/S/C=C/C(=O)c1ccc(Cl)cc1)SCc1ccccc1 5603530 GNMGWQNIKHTTFV-SDMMKSMRSA-N 372.902 5.540 30 40 FKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@@H](C)OC(C)=O 12653491 FCPHMAOZUSIKSS-IFNSEHJYSA-N 374.609 7.244 30 40 FKEB biogenic CSc1nc(Nc2cccc(C)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19794122 QHKZYGNZFZYSMW-UHFFFAOYSA-N 366.877 5.443 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)c1 100116863 ATNCJUDAGBWJDE-WGOQTCKBSA-N 352.481 6.615 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccc(O)cc3)cc1)C2 106110729 RNZJYOICLYLWFC-LFYBBSHMSA-N 369.464 5.425 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=C5/C=CC(=O)S5)CC[C@@]43C)[C@@H]1CC[C@H]2O 118927704 JWXSORBJXRIMRM-VVHZAYFRSA-N 370.558 5.394 30 40 FKEB COc1cccc2c(/C=N/c3ccc(C)cc3C)c(-c3ccccc3)[nH]c12 408846734 YVIITQFWVYENGH-MFKUBSTISA-N 354.453 6.211 30 40 FKEB COc1ccc(OC(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1 1083811019 MXUSLUGTNCPGDZ-UHFFFAOYSA-N 368.248 5.478 30 40 FKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2cc(C(C)(C)C)ccc2O)o1 2069973 FPEOATBWKHFMKV-ZMOGYAJESA-N 367.876 6.662 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4084028 PRWWYYCTGGYLJU-QQIKKZTESA-N 372.549 5.476 30 40 FKEB biogenic C=CCSc1nc(Oc2ccc3ccccc3c2)c2sccc2n1 5631295 DDJTWSCJQZYXFW-UHFFFAOYSA-N 350.468 5.915 30 40 FKEB Oc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 15163227 NEGMCPBIEUXOAG-VHVSQPRNSA-N 366.464 5.969 30 40 FKEB CCCCCCCCCCCCc1ccc(I)cc1 59077579 YGIPEPBPLKBCLA-UHFFFAOYSA-N 372.334 6.755 30 40 FKEB CCCCCCCCCCSCCSCCCCCCCCCC 82126402 NJNNTWRBFGHMTD-UHFFFAOYSA-N 374.744 8.734 30 40 FKEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225467377 NIAUCIBGWVOAQP-KRWDZBQOSA-N 353.462 5.089 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 408692448 MSFFOCRTDQYGPG-XNTDXEJSSA-N 359.469 5.697 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 408759691 JSWLQMVRVFDATO-WGOQTCKBSA-N 353.469 5.955 30 40 FKEB C=C(C)[C@H]1C[C@@H](c2ccccc2)[C@H](CCC)O[C@@H]1c1ccc(C(=O)O)cc1 2037853958 RFSQBBXWPTZEGZ-WZYRSQIMSA-N 364.485 5.991 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 3253608 AQHFYBNKHUDUKB-UHFFFAOYSA-N 367.326 5.463 30 40 FKEB CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2C2CCCC2)cc1 3504395 BRJHWFYMRHVVEW-UHFFFAOYSA-N 354.523 5.363 30 40 FKEB CC1=C(c2ccccc2)[C@]2(c3ccccc3)[C@H]3C=C[C@H]([C@H]4CC[C@@H]43)[C@]2(C)C1=O 4473354 WZOOUDLTRAKAHN-YRDAZSLMSA-N 366.504 5.829 30 40 FKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5194062 DJIPYPAYGGIAGG-NVMNQCDNSA-N 361.224 5.565 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1 8368192 DADJSDSOJVGWGQ-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 9350944 JTQMMGXCJOFQSC-UHFFFAOYSA-N 372.859 5.793 30 40 FKEB CCCCCCCCCCCCCCCCCCN(C)C(=N)NC(=N)N 97951391 XGHYEEBQHDRLPJ-UHFFFAOYSA-N 367.626 5.598 30 40 FKEB CCN(CC)c1ccc(/C=N\c2ccc(C)cc2C(=O)c2ccccc2)cc1 103277833 UAUDDXVZLIJBHV-ITYLOYPMSA-N 370.496 5.823 30 40 FKEB CCCCCCCCCCC[C@@H](CCCCCCC)c1ccc(C)cc1 104145400 OGAMHWGABJDLOK-RUZDIDTESA-N 358.654 9.360 30 40 FKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 408737418 AAPUKZLIQGZANL-WSDLNYQXSA-N 371.253 5.746 30 40 FKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCCC 409115720 JYDLEZJKGSANJZ-UHFFFAOYSA-N 373.924 6.177 30 40 FKEB Cc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)c1 409229414 OPWPKPOTLOJPDO-VCHYOVAHSA-N 370.905 5.465 30 40 FKEB N#C[C@@H](OC(O[C@H](C#N)c1ccccc1)c1ccccc1)c1ccccc1 1759530 SOKMZRPGTCRBON-FGZHOGPDSA-N 354.409 5.248 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3)cc1)N2 4181635 QLXPYLKCHCENEO-MFIRHNNRSA-N 364.492 6.572 30 40 FKEB CCN(CC)c1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(O)c1 4867307 YAYXMAAOBKJBJH-XIEYBQDHSA-N 373.500 5.279 30 40 FKEB N#C/C(=N\Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 6829716 RYWXHNIDRPYMFF-HZHRSRAPSA-N 373.268 5.457 30 40 FKEB COc1cc2c3c(c1)/C(=N\c1cccc(Cl)c1)C(=O)N3C(C)(C)C=C2C 12406279 ARNFSIIHKUOGSO-PTGBLXJZSA-N 366.848 5.012 30 40 FKEB CCCC[C@H](CC)COC(OC[C@H](CC)CCCC)C(=O)/C=C\C(C)C 17289675 XAVZCHZOMKLYST-XIVBZFBUSA-N 368.602 6.560 30 40 FKEB Cc1cccc(C(=O)/C=C2/c3ccc4ccccc4c3CC(C)(C)N2C)c1 32125466 GQWPXPNJPMISIK-HAHDFKILSA-N 355.481 5.639 30 40 FKEB biogenic,in-vitro O=C1/C(=C2/Sc3cc(Cl)ccc3C2=O)Sc2cc(Cl)ccc21 38611056 KOAKDLSQLKOGDY-NXVVXOECSA-N 365.262 5.482 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c(O)c2)c(C)n1-c1ccc(Cl)cc1 101627541 JCIGIUWDHYIAJC-SSDVNMTOSA-N 359.256 5.857 30 40 FKEB Cc1ccc(/C=N/c2c(Br)cc(C)cc2Br)cc1 102957950 HIEJDNJIJNINBY-GIJQJNRQSA-N 367.084 5.579 30 40 FKEB C=CCOc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225867980 PWEIXDPAROQVMH-UHFFFAOYSA-N 352.503 5.007 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1cccc(Cl)c1 408755362 UIBHNJLFTJBYKG-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C#N)c(C)o1 1003138 WLWNJIZYOGTISJ-UHFFFAOYSA-N 354.406 5.196 30 40 FKEB N#CCC[C@](C#N)(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 3134437 NXLREFNFZXELQG-DEOSSOPVSA-N 350.421 5.031 30 40 FKEB Cc1ccc([C@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)o1 6267633 RIOYRLGRVGTGIU-INIZCTEOSA-N 373.496 6.270 30 40 FKEB CCCCCCCCCCC/C=C/CCCCCCCCCC(=O)O 100500410 SHSZEHRDEQXEAR-OUKQBFOZSA-N 352.603 8.059 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C2/CCCCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 104160616 IHRPWSXWLYWEMJ-BWGFTNSASA-N 368.393 5.019 30 40 FKEB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC(C)CC1 225857043 ORUYGMGGDJNNRE-JQHMZKTJSA-N 372.509 5.050 30 40 FKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccccc1F 225886997 QXMKVVQGBKSXJA-UHFFFAOYSA-N 363.436 5.354 30 40 FKEB COc1ccccc1/N=C\c1c(-c2ccccc2)[nH]c2c(OC)cccc12 408840788 FWJHIVDQYZFUNZ-IWIPYMOSSA-N 356.425 5.603 30 40 FKEB N#Cc1ccccc1-c1ccc(/C=N\c2sc3c(c2C#N)CCCC3)o1 409063153 HTAJRAXYMHVSKV-CFRMEGHHSA-N 357.438 5.381 30 40 FKEB Cc1cc(/N=C/c2c#ccc(OCc3ccccc3)c2)n(-c2ccccc2)n1 409072303 ROURYRGHKVLYND-KOEQRZSOSA-N 365.436 5.111 30 40 FKEB O=C(O)c1cccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)c1 409105806 OVJOIINMVVVDNW-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB CCCCc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409223460 ZOGWJWPEWCOHPY-XIEYBQDHSA-N 359.538 7.239 30 40 FKEB CCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1 1710201 RMEOHNRKUVNLAN-KOEQRZSOSA-N 353.469 5.385 30 40 FKEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@@H](C(C)(C)C)C3 2272624 CQTMIPWUPCLWOH-CYBMUJFWSA-N 374.575 5.073 30 40 FKEB C[C@@](C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 6442016 FUWLTBFRTDYGSY-XMMPIXPASA-N 370.452 5.169 30 40 FKEB CCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C 104326505 WCOJLACCZHOZKF-UHFFFAOYSA-N 350.635 7.369 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)cc1 225712017 RLWPWMIQHNNJSK-FQEVSTJZSA-N 354.519 5.306 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408752716 JRHSTCBDWZWUGB-YDZHTSKRSA-N 365.864 5.457 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1cc([N+](=O)[O-])ccc1Cl 409084217 AMGXCWSJKJSRMR-IUXPMGMMSA-N 353.603 5.070 30 40 FKEB C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccc1 1467955 KZNJYLHGSGCAIY-UHFFFAOYSA-N 366.468 5.398 30 40 FKEB C(=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1cccs1 3961032 MECXYEXIPOPLNC-KGENOOAVSA-N 361.495 5.985 30 40 FKEB N#Cc1c(/N=C/c2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1 4714590 ZQMMAQBICWNRSA-JVWAILMASA-N 366.395 6.375 30 40 FKEB C=CCOc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 8534516 OCDAVTRVRWDXQW-FKANHJMESA-N 355.522 5.099 30 40 FKEB COc1ccc(C)cc1/N=C\c1ccc(/C=N/c2cc(C)ccc2OC)cc1 17063337 VOFQSHZKHYFHRT-WFOJNGAISA-N 372.468 5.822 30 40 FKEB CN(C)CCC(/C=C/c1ccccc1)=N/Nc1ccc(Cl)c(Cl)c1 17194737 YUKBHICVLDHULH-XEBHLSMGSA-N 362.304 5.426 30 40 FKEB Cc1cc(C)cc(Oc2cc(C#N)c(C#N)cc2Oc2cc(C)cc(C)c2)c1 18195228 SIOSAQVDXCLQGJ-UHFFFAOYSA-N 368.436 6.248 30 40 FKEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OCCCC 95740491 FEXXLIKDYGCVGJ-NHCUHLMSSA-N 354.575 6.578 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 101391934 JKVORWCBUOXAQD-JWGURIENSA-N 374.528 5.383 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](C)COC 104109748 QYHQEBIHGUJHIN-VIOKTNGOSA-N 353.591 6.175 30 40 FKEB CCCCCCCCCCCCCCCCCC/C(=C/C(=O)O)C(=O)O 112966343 DORSXXCBNVVKKP-VXPUYCOJSA-N 368.558 6.734 30 40 FKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408935311 CRQSIRVSFCNIFS-SASJVVMLSA-N 366.464 5.969 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc([C@H](C)CC)cc2)cc1OC 409376001 RXPGJLKBXABBPW-HVGZKEQUSA-N 373.924 6.790 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 2738358 LOVGPIBSHZSJSA-CYBMUJFWSA-N 370.493 5.552 30 40 FKEB CCc1ccc(-c2csc(/C(C#N)=N/Nc3c(C)cc(C)cc3C)n2)cc1 4175564 QLLGNAFZFYQTNM-NCELDCMTSA-N 374.513 5.638 30 40 FKEB COc1ccc2sc(Nc3nc(-c4ccc(C#N)cc4)cs3)nc2c1 5122778 KXKHNYXOLSFWRP-UHFFFAOYSA-N 364.455 5.044 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 6961323 BDDGAIXHXUDTSH-MFKUBSTISA-N 363.432 5.862 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OC 8371750 OHCQOJGEKWOLCM-UDWIEESQSA-N 360.251 5.082 30 40 FKEB COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1Br 13137373 DSSUCQSVBPSAIF-SOFGYWHQSA-N 357.203 5.100 30 40 FKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccs1 13306986 ZMYDBRATYLNXEQ-PDGQHHTCSA-N 364.447 5.297 30 40 FKEB O=C(/C(=C/c1cccnc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 32665180 IYGOJAZMODCCRV-ATVHPVEESA-N 359.816 5.035 30 40 FKEB C=CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635345 SMSNQNCKILLMPJ-UHFFFAOYSA-N 364.253 5.613 30 40 FKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1cccc(F)c1 225887018 PPZAFYLVJBGDGZ-UHFFFAOYSA-N 363.436 5.354 30 40 FKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)CCC2=O)c1 408674368 ZKYWJAASEQSHSR-UHFFFAOYSA-N 372.509 5.199 30 40 FKEB N#Cc1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 843500 HTLBTPGUZSSSTE-UHFFFAOYSA-N 364.404 5.738 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 4158529 FRZDBDNJVWDQRI-JXMROGBWSA-N 373.235 6.158 30 40 FKEB Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCCCC2)cc1 16969751 KBCGGHIOJYZTHJ-RQZHXJHFSA-N 368.524 6.343 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1 58583525 QHXGFOCPQQADIF-KTKRTIGZSA-N 371.609 7.340 30 40 FKEB biogenic,in-vitro Cc1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1I 668188 NYROBCNTXXOACE-VXLYETTFSA-N 374.225 5.140 30 40 FKEB COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)ccc1O 1233843 RRTSFYJDYWTIMW-YDZHTSKRSA-N 374.465 5.737 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3cccc(F)c3)C2=C(O)C1 4322976 GXJLPKMAFZZYTA-IBGZPJMESA-N 373.427 5.604 30 40 FKEB CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 5176114 XQMMQMAQEYIETB-ZRDIBKRKSA-N 365.816 5.455 30 40 FKEB COc1ccc(C(=O)C/C(=C(/C)C(=O)c2ccccc2)c2ccccc2)cc1 5516705 DFWDAKHMSONYCF-PTGBLXJZSA-N 370.448 5.625 30 40 FKEB C(=N\Nc1nc2ccccc2s1)\c1c2ccccc2cc2ccccc12 16525773 LKDLXBLDRRNSKU-UCQKPKSFSA-N 353.450 6.049 30 40 FKEB CN(C/C(O)=N/c1nc(-c2ccc(Cl)cc2)cs1)Cc1ccccc1 20386056 WQJBUQLARJTPPB-UHFFFAOYSA-N 371.893 5.184 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C(F)(F)F)cc1 51318916 MXNCMODGFPSZBJ-MDZDMXLPSA-N 369.770 5.566 30 40 FKEB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C#N)c1 225679012 YDBNCAUOLPBJQG-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226258045 KGLHDYKZHDXWMZ-GQCTYLIASA-N 357.620 5.649 30 40 FKEB COc1cccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409080183 MKUBDUOKFUYPFP-MFKUBSTISA-N 361.485 5.619 30 40 FKEB Cc1ccc(O)c(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 711436 KPVCSBODJNSAAV-FSJBWODESA-N 358.397 5.273 30 40 FKEB Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1Cc1ccccc1)CCC3 755422 DQLLHBBKWJLPCM-UHFFFAOYSA-N 363.464 5.420 30 40 FKEB O=C(N=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 3895224 SLAALXBAUFACQW-UHFFFAOYSA-N 361.444 6.031 30 40 FKEB CO/N=C(/CSCc1ccccc1Cl)c1ccc(Cl)cc1Cl 4084640 RKUYLWDJYWDSED-SILNSSARSA-N 374.720 5.931 30 40 FKEB Clc1cc(Cl)c(N/N=C/c2cnc3ccccc3n2)c(Cl)c1 5529082 USSSVSXAWIOJSV-DNTJNYDQSA-N 351.624 5.036 30 40 FKEB C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)N=C2O)cc1 6262060 VEBMEBQXECQYQH-BOPFTXTBSA-N 370.861 5.637 30 40 FKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 8751299 DGOSWIYPOMLAHM-UHFFFAOYSA-N 366.342 5.496 30 40 FKEB C=CCN1C(=O)C(C)=C(C)[C@H]1c1c(-c2ccc(F)cc2)n(C)c2ccccc12 9095170 XFEVBENOABVROZ-QFIPXVFZSA-N 374.459 5.390 30 40 FKEB CCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OC)cc2)cc1 97959466 FZYGMIKHMKKUHE-WCWDXBQESA-N 368.477 6.767 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCCO1 104355731 RYQKMSDUKYBZSD-QFIPXVFZSA-N 368.602 6.970 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1I 408550523 HOJIZGCCFIYFHD-RQZCQDPDSA-N 355.606 5.004 30 40 FKEB CCCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408889208 FMZJGTPMAAOTPG-RGEXLXHISA-N 366.486 5.066 30 40 FKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3cccs3)cc2)c1 409359508 OQRXFIDZXLJTDK-VAWYXSNFSA-N 351.427 5.358 30 40 FKEB CCOc1cccc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2C)c1O 993830 OSGCKKIYIYIHJI-ZVHZXABRSA-N 372.424 5.658 30 40 FKEB CC[C@@H](C)OC(=Nc1cccc2ccccc12)Nc1cccc2ccccc12 1711207 FITNPKAPUZPFAQ-GOSISDBHSA-N 368.480 6.908 30 40 FKEB C=CCN1C(=O)/C(=C\c2c(OCCC)ccc3ccccc23)SC1=S 2834897 JEWHJGQVUUEBKR-QGOAFFKASA-N 369.511 5.016 30 40 FKEB CCCc1cc(SCc2ccccc2)n2c(nc3ccccc32)c1C#N 5454017 ZKXQPCIZQQYRMB-UHFFFAOYSA-N 357.482 5.604 30 40 FKEB Cc1cc(OCN/N=C/c2c[nH]c3ccccc23)c(C(C)C)cc1Cl 6922019 GTVODCRMVCDAAD-FOKLQQMPSA-N 355.869 5.213 30 40 FKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 13616154 OBORUNWFHUJZQZ-ODLFYWEKSA-N 363.394 5.493 30 40 FKEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[C@H](C(C)(C)C)CC1 16951804 XJSHJNBGPFREKI-BXUJETTOSA-N 360.414 5.063 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccccc1 17075295 OOZYHIDNZNLPLQ-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB N#Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258139 ZOROEWYSAAPQRQ-UHFFFAOYSA-N 362.816 5.043 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccccc1Cl 28295608 QFDADRMACCWFJZ-UHFFFAOYSA-O 362.305 5.939 30 40 FKEB COc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 59463566 OBKKNHKVGYCHHC-LFVJCYFKSA-N 370.477 6.236 30 40 FKEB Cn1c(=O)cc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)c2ccccc21 104084354 BPZZWHCUXJBSNQ-QKOXBGIQSA-N 366.424 5.705 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(Cl)cc1 254875940 LLMZALSRBZIVTI-UHFFFAOYSA-N 356.878 5.297 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C4CCCCC4)cc3)c2C)c1 408767265 YSBYADGRBOFRCY-OVVQPSECSA-N 370.540 7.201 30 40 FKEB COc1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 408952212 LLBQPYYXKVGWNM-XIEYBQDHSA-N 352.437 5.904 30 40 FKEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 3088125 JYQXMOCBKSYSIR-UHFFFAOYSA-N 366.505 5.855 30 40 FKEB biogenic CCCCCCCCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 3666846 USQADFHBNQAIPC-UHFFFAOYSA-N 373.566 5.991 30 40 FKEB CC(C)(C)c1ccc(C(=O)/C=C/c2cccn(-c3ccccc3)c2=S)cc1 4115542 UTDKXLQQHIHVPZ-DTQAZKPQSA-N 373.521 6.400 30 40 FKEB C=CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 8253951 UXXIKJRJLYQEQI-UHFFFAOYSA-N 366.288 5.247 30 40 FKEB CCc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=O)[nH]2)cc1 8816524 VIZSGKYZFHCAEV-UHFFFAOYSA-N 369.251 5.450 30 40 FKEB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@]5(CO5)[C@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C 12652754 DWXSJAAPPYYVFJ-JWPUYAPMSA-N 360.582 5.575 30 40 FKEB biogenic N#Cc1c(N)nc2c(c1-c1sc(Cl)cc1Cl)CCCCCC2 19805464 UPFKOZHNLCPCKJ-UHFFFAOYSA-N 352.290 5.230 30 40 FKEB Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccccc3)c1C2 20849574 BJYMAGPOJUWFHS-PCLIKHOPSA-N 365.436 5.628 30 40 FKEB CSc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 101474926 RVAVDGHPWSFDPL-UHFFFAOYSA-N 370.236 5.059 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C#N)C1 102615277 YNILPZPGEHGBTC-MPTYRVRUSA-N 370.562 5.536 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223185071 HHXPNNYXPPBBQK-SFHVURJKSA-N 355.503 5.163 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2c(F)cccc2Cl)C(=O)N1C 408916098 USJOSESZQRZLKD-AVJLYGTLSA-N 374.868 5.275 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2)cc1 409251182 ZYYWYVFPWAZIOU-HYARGMPZSA-N 362.454 6.113 30 40 FKEB O=C(/C(=C/C=C/c1ccccc1)c1nc2ccccc2o1)c1ccccc1 1802917 CZWMAOFHNLDNJK-RGRQOOPWSA-N 351.405 5.808 30 40 FKEB C[C@@H](C#N)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 4246629 RWJCFRGOXSWJNA-LBPRGKRZSA-N 361.392 5.108 30 40 FKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc(Cl)c1 8570892 UQYJVWLZXHRTSQ-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB Cc1ccccc1N(/C=C/C(=O)C(F)(F)F)c1nc2ccccc2s1 12621520 KAVTWXYUAQAMEB-ZHACJKMWSA-N 362.376 5.388 30 40 FKEB N=C1N(c2ccccc2)C(=S)/C(=N\c2ccccc2)N1c1ccccc1 16958720 SOLNIHCIAWZQOF-MPYATAOSSA-N 356.454 5.006 30 40 FKEB Cc1nc2cc(/N=C/c3ccc(N(C)C)cc3)ccc2n1Cc1ccccc1 17887190 ZQUZFRCGZCLICA-PCLIKHOPSA-N 368.484 5.210 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(O)cc2)c2ccccc21 18285303 MODAMNKNAAZQCP-QFIPXVFZSA-N 357.434 5.259 30 40 FKEB COc1ccc(CN/N=C/c2c3ccccc3cc3ccccc23)cc1OC 20196114 WJPRVIDDFMZOQZ-WGOQTCKBSA-N 370.452 5.134 30 40 FKEB O=C(/C=C\c1ccccc1)c1c(OCc2ccccc2)ccc2ccccc12 33376558 YDLIXDZCGHDVMB-ICFOKQHNSA-N 364.444 6.315 30 40 FKEB Cc1s/c(=N\N=C\c2c(Cl)cccc2Cl)[nH]c1-c1ccccc1 59193795 IFDPJJQHAZXLKG-KEBDBYFISA-N 362.285 5.293 30 40 FKEB CC(C)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59250124 LFGGQNKCDIBCQF-HYARGMPZSA-N 367.290 6.114 30 40 FKEB C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O 85992605 ULWOIBVJYLRVQJ-JUWJACTHSA-N 362.510 5.140 30 40 FKEB biogenic,in-vitro O=C(O/N=C1/CCCC/C1=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 104281738 YSTDIKUIUMSQMQ-XGELCGEASA-N 374.267 6.164 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(CC)cc3)c2C)c1 408965119 GHBUBGMEIDUMDL-PCLIKHOPSA-N 374.484 5.584 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)cc1 409188011 WHLZRLIYLVEODN-UCQKPKSFSA-N 352.865 5.897 30 40 FKEB O=C1C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)c2ccccc21 409390600 FPYHUFARTVVMNO-UHFFFAOYSA-N 374.823 5.382 30 40 FKEB CC1(C)C(=NOCc2ccccc2)C(C)(C)C1=NOCc1ccccc1 1582123 SLVWXSATIZZKKS-UHFFFAOYSA-N 350.462 5.198 30 40 FKEB O=C1/C(=C\c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 4481462 TYTGDSMNTJULHF-ADGFTTEDSA-N 374.440 5.634 30 40 FKEB C=CCn1c(SCc2cc(Cl)cc3c2OCOC3)nc2ccccc21 4485654 XMYGADJTWXDGMV-UHFFFAOYSA-N 372.877 5.035 30 40 FKEB CCCCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 102560938 SIWRAUQZLWFLPK-UHFFFAOYSA-N 354.321 6.704 30 40 FKEB CCCC[C@H](CC)COC(OC[C@H](CC)CCCC)C(=O)/C=C/C(C)C 104347307 XAVZCHZOMKLYST-CEKHXOICSA-N 368.602 6.560 30 40 FKEB CSc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 408764262 QVEFVEBWYYWZBN-AOIWGVFYSA-N 363.442 5.015 30 40 FKEB C=CCn1c(C)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 408806697 BBPMEXDRRKGQLV-LGUFXXKBSA-N 365.480 6.308 30 40 FKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408935312 CRQSIRVSFCNIFS-WGCMYMJESA-N 366.464 5.969 30 40 FKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1NC(=O)c1ccccc1 409199212 BUPQTJUITQKCDC-XYGWBWBKSA-N 373.500 5.537 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(N(C)C)cc2)cc1OC 409379810 ZRQBPCBKMCSEKG-CRRPLPBISA-N 360.885 5.343 30 40 FKEB N#Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 4413819 GAOIRBAPUUXJKZ-UHFFFAOYSA-N 368.461 6.173 30 40 FKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1 5551705 IAFMAEMVVMRKED-MOSHPQCFSA-N 374.465 5.130 30 40 FKEB C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)SC1=S 83326857 XQDGQYJHAFZSOU-RVDMUPIBSA-N 373.524 5.126 30 40 FKEB CCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC 100300490 HFSVAOMVBYXXBW-UHFFFAOYSA-N 370.574 6.354 30 40 FKEB in-vitro C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)/C(=C\c4ccccc4)C[C@]3(C)[C@H]1CC2 118928310 ASJAFGMKVOVZFV-SGXGZPRZSA-N 362.557 6.682 30 40 FKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Br)c(C)c2)C1 408564251 XJDJSAKLKHSPTG-OKFGHLOFSA-N 364.327 5.859 30 40 FKEB Cc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 408737138 KWGHFFIYPOEYPN-KOEQRZSOSA-N 351.453 5.907 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C 409217466 VRSCHLRHHFHPFF-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 409250990 ZFUGVZLPVJPDTA-LGUFXXKBSA-N 370.496 6.103 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](/C(C)=N/O)CC[C@H]32)C1 1889184577 DGKAJFBWCOTIQA-YBUQEATGSA-N 373.537 5.347 30 40 FKEB Brc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 1233791 HNXPEXYNYOJXEU-KGENOOAVSA-N 352.231 5.992 30 40 FKEB C=C(C)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1240147 WYOXNMZTOKAOOC-UHFFFAOYSA-N 369.559 5.910 30 40 FKEB N#Cc1ccc(-c2cccnc2)nc1SCc1cccc(C(F)(F)F)c1 4451139 PXPLKOGWTNOERO-UHFFFAOYSA-N 371.387 5.326 30 40 FKEB CCC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1ccc(F)cc1 4934474 GJQDCDQVKYGGLL-MRXNPFEDSA-N 367.468 5.272 30 40 FKEB CCCCc1ccc2nc(C)cc(N/N=C/c3ccc4c(c3)OCO4)c2c1 5499296 AJSOFEXYDZOEQI-YDZHTSKRSA-N 361.445 5.061 30 40 FKEB CC/C(=N\Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 12532262 HSISXBRYQDREDK-HKOYGPOVSA-N 358.470 5.585 30 40 FKEB Brc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 100840541 YGEPNWRDCMNJAE-XDJDQNRRSA-N 364.246 6.615 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cn1 223522869 LTRVMGVWVDUNNA-JJFYIABZSA-N 355.869 5.126 30 40 FKEB N#Cc1ccc(OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 3438643 JFRKRFMGMBVVGY-UHFFFAOYSA-N 363.800 5.010 30 40 FKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)[nH]c1=O 4024972 KSRUVUAZALRVDV-UHFFFAOYSA-N 374.749 5.253 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC 8277775 XGPYJILINHJRRV-SRZZPIQSSA-N 350.245 5.626 30 40 FKEB Fc1ccc(N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)c(F)c1 33958107 QJCUPBLUJCFQMY-XKCZREFCSA-N 350.368 5.305 30 40 FKEB Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccccc3)c1)C2 59503638 WWCZVPYLZHPHQN-VAWYXSNFSA-N 353.465 5.720 30 40 FKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccco3)cc1)N2 408934771 FZBVDNFSAPGYTL-ROGXRUOCSA-N 354.453 6.165 30 40 FKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C#N)C1 996482 XBQOFSSDYJUTIH-AWEZNQCLSA-N 370.493 5.552 30 40 FKEB C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 2715293 NHVMZNFLFDGAEW-UHFFFAOYSA-N 370.456 5.084 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 3214741 KPVOJIKNCNGDRJ-UHFFFAOYSA-N 362.395 5.795 30 40 FKEB CC(C)=CCOc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 8765084 STRYQUOSJQZXHI-LPYMAVHISA-N 373.452 5.448 30 40 FKEB biogenic C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C)cc1C 28627943 UJKNTUVBTGSYMT-XDOYNYLZSA-N 354.906 5.905 30 40 FKEB Oc1c(/C=N/c2ccc(Cl)cc2Br)ccc2ccccc12 32101694 BWIZWANOEHYZIH-KEBDBYFISA-N 360.638 5.712 30 40 FKEB COc1ccc(Br)cc1/C=C1/CCc2c(C)cc(C)cc2C1=O 34782750 DFAGTUFAWURWPX-UVTDQMKNSA-N 371.274 5.287 30 40 FKEB CCCCCCCCCCCCCCCCNCCCN(C)CCCN 73258253 YXAXRWKOQLUXCW-UHFFFAOYSA-N 369.682 5.728 30 40 FKEB CCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 97954994 NRGXHFPCTZWPTL-UHFFFAOYSA-N 365.908 6.752 30 40 FKEB CCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)OCC 100684526 NTWNXCIKIGSVKG-UHFFFAOYSA-N 356.615 6.107 30 40 FKEB Cn1c(=O)cc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c2ccccc21 104084350 BPZZWHCUXJBSNQ-BASPJLQGSA-N 366.424 5.705 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1Cl 408590678 QDYMGBFGKMOGCQ-BHGWPJFGSA-N 365.864 5.888 30 40 FKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccccc3)cc2)c1 408594095 SDAPBTRFMZKQOP-KGENOOAVSA-N 364.426 5.297 30 40 FKEB C=CCc1cc(/C=N\c2cccc(Cl)c2Cl)cc(OCC)c1O 408850625 PTEXGBSQOLRGAU-NHDPSOOVSA-N 350.245 5.577 30 40 FKEB Clc1ccc(Sc2ccc(/C=N/c3cccc(Cl)c3)cc2)cc1 409107934 YIGBYIGDARMPMS-LPYMAVHISA-N 358.293 6.895 30 40 FKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1ccc(C(=O)O)cc1 2037854275 GJFIJJBYWAXQDE-RKTMXUFFSA-N 370.876 5.864 30 40 FKEB N#Cc1ccccc1CSc1nnc(-c2cccs2)n1-c1ccccc1 667081 QADNIJBHOIRLCG-UHFFFAOYSA-N 374.494 5.160 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(NC(C)=O)cc3)ccc21 712964 QSTXKWOMZAWPDR-BUVRLJJBSA-N 355.441 5.523 30 40 FKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccccc2C(=O)c2ccccc2)cc1 51318647 JLYJHSOLYMNUDP-WUKNDPDISA-N 369.464 5.850 30 40 FKEB Clc1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59248692 WFGLZRNEXPRBTG-VCHYOVAHSA-N 353.647 5.046 30 40 FKEB CCCCCCCCCCC/C(=N/O)c1ccc(OCCCC)cc1O 100933918 JWGOVEJYFBEWMV-LNVKXUELSA-N 363.542 6.670 30 40 FKEB CCCCCCCCNCc1cc(Br)c(OCC)c(OC)c1 102561792 SBAWDGCKKNYLKV-UHFFFAOYSA-N 372.347 5.307 30 40 FKEB O=C(/N=C1\c2ccccc2CN1c1ccc2ccccc2c1)c1ccccc1 102946552 TWCZCGXLBCGGSZ-SHHOIMCASA-N 362.432 5.447 30 40 FKEB Cc1cc(/C=N/c2cccc3cccnc23)c(C)n1-c1ccc(Cl)cc1 408738293 UKBIFAHQTYAWCB-AFUMVMLFSA-N 359.860 6.046 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc4ccccc34)c2C#N)C1 409087983 VLPIFZOGPDYWMY-CMPFEXHJSA-N 372.537 6.675 30 40 FKEB CC(C)c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409299860 SJWQVUMXZHSKDI-UHFFFAOYSA-N 373.500 5.450 30 40 FKEB Cc1cccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4)c3)nc12 1435267 RULYVWQAKICFJP-LPYMAVHISA-N 357.369 5.462 30 40 FKEB C#CCSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 2314833 PJXGHTWMFHUAKI-UHFFFAOYSA-N 350.443 5.213 30 40 FKEB C=CCSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 2388108 HCPNWVRFJCZCKU-DHZHZOJOSA-N 352.484 5.226 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C#N)C1 2736769 CAXHNZPTAZHBHR-CYBMUJFWSA-N 356.491 5.315 30 40 FKEB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)/C=C/c2ccccc2)c1 4480318 IDQPTCRJETUHHJ-YXLFCKQPSA-N 353.421 5.235 30 40 FKEB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1C[C@@H]3C#N 4720797 FILZRTOLEMCSFG-DPTATKNSSA-N 355.522 5.426 30 40 FKEB Cc1ccc(C)c(-n2c(S[C@H](C)C#N)nnc2-c2cccc(Cl)c2)c1 6331702 FDBUZUDQPKXMDY-CQSZACIVSA-N 368.893 5.209 30 40 FKEB C=CCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC 14397364 NKNDMZFCXKBMEN-UHFFFAOYSA-N 370.663 5.636 30 40 FKEB CC(C)c1cc(=O)oc2cc(O[C@@H](C)/C(O)=N/c3cccc(F)c3)ccc12 15393366 XFZPDQNHYDEFOE-ZDUSSCGKSA-N 369.392 5.111 30 40 FKEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(Cl)c1 44087242 FPOAUJIAKKQDQK-UHFFFAOYSA-N 356.878 5.479 30 40 FKEB Cc1ccc(C)c(/N=C\c2cccn2-c2ccc(Br)cc2)c1 408850435 NQGUKRKBFQGYEM-BKUYFWCQSA-N 353.263 5.607 30 40 FKEB CCCCCCCCNC(=S)Nc1cc2cccnc2c2ncccc12 408977192 VUUFIVBOLXDIMD-UHFFFAOYSA-N 366.534 5.430 30 40 FKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 409101830 ZAHVMXCJCONHTD-BUVRLJJBSA-N 365.860 6.590 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 1772491233 YOCMSQQGLTUHFQ-LHHJGKSTSA-N 366.819 5.954 30 40 FKEB Cc1ccccc1-c1nc2cc(/N=C/c3ccc([N+](=O)[O-])cc3)ccc2o1 1435028 JBFLSXWOTFAQGS-LPYMAVHISA-N 357.369 5.462 30 40 FKEB C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 2746710 LYGQOZRGTLPLDK-HSZRJFAPSA-N 370.452 5.331 30 40 FKEB Cc1ccc(-c2cc(C#N)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1 3133748 SGYBVJPQYSHHAK-UHFFFAOYSA-N 369.251 5.051 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1OC 5210877 MISYPOXVTAJJML-WYMLVPIESA-N 374.436 5.179 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)c(C)c1 5570779 SBWQMAMJHIGZJC-YDZHTSKRSA-N 374.513 5.767 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Cc2ccccc21 6340272 RHYKYTULLMTHEA-GXDHUFHOSA-N 355.220 6.076 30 40 FKEB Cc1ccc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 6788366 RYFVFKWYZOAELQ-UDWIEESQSA-N 355.235 5.464 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OCC 6959320 PUVNOIOINDLVFF-UHFFFAOYSA-N 350.245 5.016 30 40 FKEB Cc1ccc(/C=N\c2sc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 16663363 JCHLWXFBTYQRHO-MYYYXRDXSA-N 368.461 6.606 30 40 FKEB CCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1O 104364139 TWMIGWGQJJUBSY-HIXSDJFHSA-N 361.570 6.998 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](/C(C)=N/O)CC[C@H]32)C1 1889184578 DGKAJFBWCOTIQA-YUPMSLPGSA-N 373.537 5.347 30 40 FKEB C=CCOc1ccc(CNc2ccc(NC(=O)CCCC)cc2)cc1OC 4661529 CXDFRMHDDUUBRS-UHFFFAOYSA-N 368.477 5.001 30 40 FKEB COc1ccc2cc(C(=O)/C=C/c3cc(Cl)c(O)c(OC)c3)ccc2c1 5128992 DDABACFSUYDVTH-FPYGCLRLSA-N 368.816 5.112 30 40 FKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 6635652 PLIZHJLHWSEQNW-AWEZNQCLSA-N 368.502 5.176 30 40 FKEB COc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl 9196104 IFRSZFJONVMFAT-SSDVNMTOSA-N 359.256 5.279 30 40 FKEB Cc1ccc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 57227617 JHJOTOZWGYUFTP-LGUFXXKBSA-N 369.512 5.068 30 40 FKEB C/C(=N\c1ccc(Nc2ccccc2)cc1)c1cc2ccccc2oc1=O 68601466 OYGDLRZLXPIIAM-LFVJCYFKSA-N 354.409 5.677 30 40 FKEB CC(C)(C)C(/C=C/c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6186662 MCNFQUFLMJYHTB-IGEHUKCCSA-N 368.393 5.030 30 40 FKEB C=C(C)COc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 8570675 CRTVBJKKJIGOCB-UHFFFAOYSA-N 359.425 5.686 30 40 FKEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C(C)C)cc1 12603341 ADOZMTRAIWWMMQ-FRSXJTSWSA-N 367.493 5.282 30 40 FKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 32194221 OECNJPNASSVPSM-BHSNZVRNSA-N 371.440 6.309 30 40 FKEB C/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1 33733898 ZHHAQBXSQDCTSB-UKWGHVSLSA-N 353.636 6.229 30 40 FKEB Brc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 100034143 PIVATZDYQKKODX-XDJDQNRRSA-N 364.246 6.615 30 40 FKEB O=[N+]([O-])c1ccc(Br)c2cccc(/C=N\c3ccccc3)c12 100369164 YTROOTGTGLIWOO-ODLFYWEKSA-N 355.191 5.261 30 40 FKEB C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(Sc2ccccc2)o1 409002418 ZTZCBVWAEQEGJB-HKOYGPOVSA-N 370.477 6.603 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc(F)cc3)o2)c(Br)c1 409234444 WRJFPKMYQLEIAZ-SRZZPIQSSA-N 358.210 5.907 30 40 FKEB Cc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C\c3ccc(C)cc3)C2=O)cc1 2063771 GTZKYGBEJDVTBS-OQRYGUKSSA-N 358.525 6.796 30 40 FKEB N#C[C@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl 3851346 WTBPAUZQFSZOPC-CYBMUJFWSA-N 372.280 5.590 30 40 FKEB biogenic FC(F)(F)c1cnc(N/N=C/c2ccc([C@@H]3C=CCC3)s2)c(Cl)c1 5523723 JYVVRUAAGLKGTH-VQGIZBIESA-N 371.815 5.695 30 40 FKEB N#Cc1ccc(CSc2nc3ccccc3n2CCc2ccccc2)cc1 8642879 JXGXABMFRUBWEN-UHFFFAOYSA-N 369.493 5.443 30 40 FKEB CCCCCCCCCC[C@H](CCCCCCC#N)c1ccc(C)cc1 104053532 LUPARFXPTBEUGQ-XMMPIXPASA-N 355.610 8.474 30 40 FKEB CCCCCCCN(CCCCCCC)C(=N)c1ccnc2ccccc12 104331229 IMGPGBFUGOSGFK-UHFFFAOYSA-N 367.581 6.803 30 40 FKEB O[C@@]12CCCC[C@H]1[C@@H](c1ccccc1)[C@H]1CCC[C@H]2/C1=N/Nc1ccccc1 105334893 QYOXYFORJPSJMA-VNNWHNPNSA-N 374.528 5.590 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408737561 DEWYCSXUNPZQGW-YDZHTSKRSA-N 350.849 5.701 30 40 FKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408910704 LIWYRDGIGOJZAW-FSJBWODESA-N 366.848 5.505 30 40 FKEB CC1=C(/N=N/c2cc(O)cc3ccccc23)C(=O)[C@@H](c2ccccc2)[C@H]1C 1554504454 UXOWQUMFAGQLRA-SFXBGEISSA-N 356.425 5.906 30 40 FKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@@H]1C[C@@H]1c1ccccc1 1775975990 HVXXDLPSGXMGQW-MTQWCTHYSA-N 355.441 5.033 30 40 FKEB C=CCSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 2396149 ILWSNORYIXLZOK-UHFFFAOYSA-N 360.891 5.480 30 40 FKEB C/C(=N\OC(=O)c1ccc(Cl)cc1)c1sc(-c2ccccc2)nc1C 4050435 MMLVBVRAJQDIOM-LPYMAVHISA-N 370.861 5.353 30 40 FKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C\c1ccc([N+](=O)[O-])s1 13943050 WNARGGPVJIPZNG-JAIQZWGSSA-N 370.817 5.291 30 40 FKEB CCCCCC/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1Cl 27750710 KXYYSIOPIKBULU-LFVJCYFKSA-N 365.908 6.192 30 40 FKEB COc1ccc(/C=C\C(=O)c2ccc(C#CCC3CCCCC3)s2)cc1 33376405 PKHJXLXJNNPZJC-VBKFSLOCSA-N 364.510 5.975 30 40 FKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3C)nc3ccccc23)cc1 58196771 WTLKZNOHRFLQJZ-BUVRLJJBSA-N 352.441 5.360 30 40 FKEB COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409069931 BQDCSPLJZZRPAR-HMAPJEAMSA-N 353.874 6.250 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Oc3cccc(OC)c3)cc2)cc1 409104068 DFDWCSBNYUREPN-FOCLMDBBSA-N 373.452 5.858 30 40 FKEB O=C1/C(=C/c2c(Cl)ccc([N+](=O)[O-])c2Cl)Sc2ccccc21 714081 QJVFHTWZTSYURP-QPEQYQDCSA-N 352.198 5.231 30 40 FKEB CC[C@H](C(=O)/C=C/c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4266901 MDGSZSJIRYOQHA-CYRUXNTOSA-N 356.506 5.299 30 40 FKEB C(=N/Nc1cccc2cccnc12)\c1ccc(OCc2ccccc2)cc1 4380346 ICXKPYCHQMKXFR-PCLIKHOPSA-N 353.425 5.260 30 40 FKEB Cc1ccc(/N=C/C=C/C=C2/Sc3ccc4ccccc4c3N2C)cc1 5394318 KFVHSKORGXAXOM-KFRNMFHBSA-N 356.494 6.490 30 40 FKEB Cc1nc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)sc1C 16696190 MBVCGAXKSQLFGC-SRZZPIQSSA-N 371.893 5.438 30 40 FKEB CCCCCCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12 33354221 BMPOOZWDLVEBFC-UHFFFAOYSA-N 372.509 5.257 30 40 FKEB Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)c(Br)c1 100248343 ZCABAIVVKCTNNM-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB C=CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(Cl)cc1 101328238 UQJVLIYONMGDHE-NJNXFGOHSA-N 372.859 5.215 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)cc1 166562151 ALQZTRNOSHZEQP-ZVHZXABRSA-N 366.892 6.205 30 40 FKEB COc1ccccc1/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C 223541495 QHACAKCXIBBRSF-SYXCRGJESA-N 350.506 5.946 30 40 FKEB Fc1cccc(Cl)c1COc1ccc(/C=N\Nc2ccccc2)cc1 408601975 MOVARBVZHMSTBN-QRVIBDJDSA-N 354.812 5.504 30 40 FKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2)c1C 408915485 WDBMOXKKTFUOSK-FMCGGJTJSA-N 366.848 5.505 30 40 FKEB Cc1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1Br 409226919 WILLMZGYTCPJOJ-UDWIEESQSA-N 355.235 5.464 30 40 FKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)cc(F)c1 3290496 WVTIAXLVLYWJGH-UHFFFAOYSA-N 369.211 5.255 30 40 FKEB C#CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc2ccccc12 4262997 QKEQLATYWPJWJC-CCEZHUSRSA-N 368.461 5.268 30 40 FKEB C=C(C)CSc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 5271460 ZHTUKOLDEGDHQL-QGZVFWFLSA-N 366.577 5.323 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(F)F 6048164 KIPABZOOFKOUEQ-VZUCSPMQSA-N 360.400 5.490 30 40 FKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OC 8277723 WVCPFWZJPOKWKV-DJKKODMXSA-N 368.658 5.179 30 40 FKEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3ccccc3F)ccc21 13786902 PDNIHNCNNBGIMP-NHDPSOOVSA-N 364.347 5.160 30 40 FKEB N#Cc1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 15643918 HUJYRYPDDLZGCK-UHFFFAOYSA-N 358.466 5.020 30 40 FKEB O=C(/C=C\c1cc2c(s1)-c1cc(Cl)ccc1OC2)c1ccc(F)cc1 33376738 YTEQLCWNHLNPOF-SREVYHEPSA-N 370.832 5.996 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=CC[C@@H]32)C1 253618051 MZWRIOUCMXPLKV-HXDKXCNLSA-N 356.506 5.006 30 40 FKEB COc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c23)cc1 663445 ZTTSQECXVUXHNL-UHFFFAOYSA-N 363.467 5.154 30 40 FKEB aggregator Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)(C)C)c1 17213453 PLGIIOKXCKDKEU-GRSHGNNSSA-N 350.871 5.178 30 40 FKEB FC(F)(F)C(F)(F)[C@](F)(Cl)C(Cl)(C(F)(F)F)C(F)(F)F 59478320 HFHDZBVFOMETSD-REOHCLBHSA-N 370.948 5.191 30 40 FKEB C=C/C=C\C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 97949830 PUTFFSRJABOVAD-ARJAWSKDSA-N 372.124 5.673 30 40 FKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(C)cc1 102929298 NCJHLIWBIJXKPO-RWEWTDSWSA-N 368.484 5.484 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cn1 223619756 CVBHKVWNHDEUQR-BTXKWLAHSA-N 357.885 5.216 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)c(Cl)c2)cc1OC 409117356 LLDSTXMIGJTRJW-UHFFFAOYSA-N 357.881 5.562 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc(F)c2)c2ccccc21 3641120 ZFJCSQUWCBLTDM-JOCHJYFZSA-N 359.425 5.692 30 40 FKEB C[C@@H]1C(=NO)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 4898313 DPZXORLWNADUGH-NEYQJUBMSA-N 363.288 5.481 30 40 FKEB CCCCCCCCCCC[C@H]1CC(=O)[C@@H](CCCCCC)C(=O)O1 97978726 TYBPYMSSRRRYRQ-VQTJNVASSA-N 352.559 6.379 30 40 FKEB in-vitro Oc1ccc2ccccc2c1C=Nc1ccc(-c2cn3ccccc3n2)cc1 245229194 QCNGURAQQCHBDL-UHFFFAOYSA-N 363.420 5.611 30 40 FKEB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)Sc2ccccc21 408811203 KSWBDPSHXKNVBG-UCQKPKSFSA-N 367.473 6.019 30 40 FKEB O=C(c1c[nH]c2ccccc12)[C@H]1O[C@@H]1c1ccc(-c2ccccc2Cl)o1 3305493 BQBAEIAKXXMNPO-NHCUHLMSSA-N 363.800 5.404 30 40 FKEB CCOc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 5417261 HPPIPDZBVPWQSN-AWQFTUOYSA-N 373.667 5.500 30 40 FKEB COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 5902737 MNBJYDQNONKAEH-AWEZNQCLSA-N 368.502 5.032 30 40 FKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 16268542 OKFNAEGLUHRECT-SSDVNMTOSA-N 352.821 5.227 30 40 FKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(Br)c1 16711376 OPIKJMFWZJSRHS-ZZEZOPTASA-N 371.303 5.398 30 40 FKEB CCCCCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 100321991 KUUBCQZJZIOSKZ-UHFFFAOYSA-N 358.503 5.537 30 40 FKEB CCCCCCCCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 104249292 ZLBWIBWPIBMPOI-OAQYLSRUSA-N 367.489 6.277 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225848408 ZRPMVDYMFKLOKG-OAQYLSRUSA-N 360.498 5.050 30 40 FKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 408709359 RGFJZDHIENDWDF-UHFFFAOYSA-N 360.542 5.225 30 40 FKEB Cc1c(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cccc1C(=O)O 408751812 CMXMWKOGFLIQLM-FSJBWODESA-N 366.848 5.505 30 40 FKEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1cc(C)ccc1C 408907432 NOAJSZFEYGHRLZ-FTIPTLOASA-N 370.905 5.581 30 40 FKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c(C)c1 408914851 YBMPASAVACVHOY-NFYBBCHUSA-N 366.486 5.016 30 40 FKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc2ccccc12 409053961 FBXQHOQMPSCVRH-FLFQWRMESA-N 371.461 5.705 30 40 FKEB CN(C)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409075976 ZVIKUTXKQXKJBE-HAHDFKILSA-N 366.917 6.308 30 40 FKEB CCOc1ccc(/C=C/c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1 8323933 VXJANQWVQHNBGT-WSYSLRRZSA-N 359.429 5.288 30 40 FKEB CCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 8431919 BYDRHGXHAZYIMX-UHFFFAOYSA-N 364.555 5.195 30 40 FKEB N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 12777298 UFZCFCQQUZUSPF-UHFFFAOYSA-N 360.438 5.347 30 40 FKEB Cc1ccccc1-c1noc(COc2ccc(-c3ccc(C#N)cc3)cc2)n1 14186184 IOWBFSAKRNJJJZ-UHFFFAOYSA-N 367.408 5.163 30 40 FKEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1 32641967 QEZPUYKXVPRWOC-CCEZHUSRSA-N 371.436 5.120 30 40 FKEB COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@@H](C)CC[C@]3(C)[C@@H]2CCCC3(C)C)C1=O 73311506 ZMWPUCGPHZVIMQ-KLLUNRAKSA-N 374.521 5.140 30 40 FKEB N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1F 84559977 WJVRRBUZHLMPSN-IAGOWNOFSA-N 362.429 5.168 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1Cl 100034053 HMUMKSXDYGWWQH-FYJGNVAPSA-N 352.777 5.791 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)N1CCCCCC1 104384265 VADPGEGXKQJSBO-MDZDMXLPSA-N 363.630 7.427 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C#N)[C@@]4(C)CC[C@@H]32)C1 118925814 HFAXZVGIGZBGQV-NGWDOLKVSA-N 369.549 5.657 30 40 FKEB Cc1nc(SCc2c(Cl)cccc2Cl)c(C#N)c2c1CCCC2 947954 NFDSGRUGDVNTHJ-UHFFFAOYSA-N 363.313 5.740 30 40 FKEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)ccc1O 4710535 ZDKNCAFZSWFKCS-JOCHJYFZSA-N 371.436 5.119 30 40 FKEB O=C1/C(=C\c2c[nH]c3ccccc23)CCCC/C1=C\c1c[nH]c2ccccc12 16525311 RJZOSNZCYXWPKN-SIJTWYJSSA-N 366.464 6.259 30 40 FKEB C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cccc1c32 16608524 IYLMRCDHXHHVKN-BMVOZTTMSA-N 372.390 5.459 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(C)(C)C)cc1 18116403 RFRZLQYQWIHPRD-HSZRJFAPSA-N 374.528 6.206 30 40 FKEB CSc1nc(NC(C)(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820413 DZNONZWQHQZZEA-UHFFFAOYSA-N 354.523 5.245 30 40 FKEB Clc1ccc2nc(N/N=C/c3cccs3)cc(-c3ccccc3)c2c1 46085344 NLQMCHGGDCQLOB-LPYMAVHISA-N 363.873 6.063 30 40 FKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 59399029 ZAAXFZDWJFILTB-OEAKJJBVSA-N 366.848 5.374 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C)c2C)cc1 100212019 LOQGJGFZTUURIC-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB CCCCCCCCCCCC[N+]1(C)CCN(c2ccc(C=O)cc2)CC1 100670142 LQMKSQOWBVXKNQ-UHFFFAOYSA-N 373.605 5.687 30 40 FKEB COc1ccc(/N=C/c2ccc(Sc3cccc4cccnc34)o2)cc1 103756998 SCDXIJDSZARIGM-OEAKJJBVSA-N 360.438 5.738 30 40 FKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1C 213160691 MIIMXYHGMKKQKW-CUNGHOPLSA-N 356.878 5.136 30 40 FKEB C=CCOc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 408564197 SPPVKZGCGZRDEU-PTGBLXJZSA-N 355.437 5.431 30 40 FKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc2ncccc2c1 408968469 ZDFABEULWMBQID-QFEZKATASA-N 359.860 6.046 30 40 FKEB O=c1[nH]c2ccc(/N=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2[nH]1 676920 PDFXXHDNVFRSFF-ZVBGSRNCSA-N 372.211 5.174 30 40 FKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Br)c(Cl)c2)cc1 2128643 FFBKFFJHAYZVKM-MDZDMXLPSA-N 364.670 5.473 30 40 FKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 4537195 BCMFDTLEWDCOPE-VQHVLOKHSA-N 353.761 5.404 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(F)c2)cc1 8278009 UWDLFHOMEXMJJM-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Oc1ccccc1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 16193072 FVQQURMTLGQQID-UWVJOHFNSA-N 364.257 5.269 30 40 FKEB COc1cccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O 100503081 GNXNSUQNCGXMPZ-ZMOGYAJESA-N 372.424 5.576 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)cc1Cl 105294475 VKTNDJPLDYQLJH-JJFYIABZSA-N 351.252 5.792 30 40 FKEB COc1ccc2c(c1)-c1nc(/N=C/c3cccc(Cl)c3)sc1CC2 408723471 VPMQFZIGMRMGQF-SRZZPIQSSA-N 354.862 5.321 30 40 FKEB CC(C)OC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1 409187584 SDPOONJFHWKHPV-FBHDLOMBSA-N 366.244 5.074 30 40 FKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2cccs2)cc1 409356032 GFBOSNGAKGFZMT-OUKQBFOZSA-N 351.427 5.358 30 40 FKEB C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084855 FYBHBBKESHGKEN-GGNVCHBXSA-N 366.417 5.055 30 40 FKEB C=C(C)COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586224 YFRLGDUKJNNEJF-UHFFFAOYSA-N 362.381 5.170 30 40 FKEB biogenic c1ccc(-c2nc(-c3ccccc3)n(C[C@@H]3CO3)c2-c2ccccc2)cc1 37866031 KOPFXNSRBPUPBL-OAQYLSRUSA-N 352.437 5.283 30 40 FKEB C=CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(OCC)c1 226325179 CKZMSYWOLCIRTB-UHFFFAOYSA-N 362.425 5.160 30 40 FKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccccc1 245229340 UVQJZCDBSITYNI-CQFYNKABSA-N 372.512 5.723 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3C)c2C)cc1 408760993 BSADLOGBEQJCHD-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1Cl 409019462 ZEDHMTLHTAIHEU-OHBSIKEHSA-N 366.244 5.620 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)Cc2ccccc21 409367793 KZFLQBZROUKGLF-GXDHUFHOSA-N 365.772 5.331 30 40 FKEB C=CCSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 2378137 NZNOCKFDKWEUFP-UHFFFAOYSA-N 354.500 5.146 30 40 FKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(CC)cc3)S2)cc1 5551575 FZDYAGHWEATSLI-HKWRFOASSA-N 364.514 5.483 30 40 FKEB Cc1cc(N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc12 5587750 JDJPWKZVOGHHNK-PCLIKHOPSA-N 367.452 5.568 30 40 FKEB Oc1ccc2ccccc2c1/C=N/Nc1ncc(C(F)(F)F)cc1Cl 6049145 POPKAEJVROSADQ-NUGSKGIGSA-N 365.742 5.059 30 40 FKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccccc3)cc2)c([N+](=O)[O-])c1 6222674 ZUFQTWCJXVHFMC-DEDYPNTBSA-N 363.329 5.046 30 40 FKEB CCCCCCCCCCCCCCCCCCNC(=O)CC1CCC1 33354650 RACLLTHZJDKOCH-UHFFFAOYSA-N 365.646 7.554 30 40 FKEB biogenic CCCCCCCCCCCCCCCCCC(=O)N(CC#N)CC#N 100933977 JSVKEHYHJFTGRG-UHFFFAOYSA-N 361.574 6.124 30 40 FKEB CCCCCCCNCc1ccc(OCc2ccccc2)c(OCC)c1 102568275 BAURRUOLWDEKIE-UHFFFAOYSA-N 355.522 5.724 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCCOC 104109871 RIPWDAGRSRVRBJ-KHPPLWFESA-N 353.591 6.177 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCN(C)C 104110093 XBAWSQDWPKWYFF-VAWYXSNFSA-N 352.607 5.702 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)CCC2=O)cc1 408670203 IHNCFRMXAUKFTQ-UHFFFAOYSA-N 372.509 5.199 30 40 FKEB COc1ccccc1/C(C)=N\Nc1nc(-c2ccc(Cl)cc2)cs1 408737781 XGRYTOJLCHPKMK-MTJSOVHGSA-N 357.866 5.308 30 40 FKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 408760743 FHTMKJQMXAAKQQ-FOKLQQMPSA-N 361.247 6.291 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 408950067 DHGBCHHVBDJWRR-XKZIYDEJSA-N 358.272 5.601 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl 409109270 ASJIVVPLZWKAJW-UHFFFAOYSA-N 356.680 6.132 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)c(C)c2)cc1OCC 409117919 ROXYJMSZCBNWJN-UHFFFAOYSA-N 351.490 5.608 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(F)cc1 409200149 GTLRIEGOTKXCBD-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB O=C(c1c[nH]c2ccccc12)[C@H]1O[C@H]1c1ccc(-c2ccccc2Cl)o1 3305497 BQBAEIAKXXMNPO-LEWJYISDSA-N 363.800 5.404 30 40 FKEB Cc1ccc(C)c(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1 4660098 RJGCSBZQYGGRFN-MFOYZWKCSA-N 356.878 5.157 30 40 FKEB FC(F)Oc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 4923889 YVWBOASMNUGEPE-BUVRLJJBSA-N 352.384 5.329 30 40 FKEB C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(Cl)cc1 4957163 SLKRBFSDFABDAF-HYARGMPZSA-N 355.894 5.916 30 40 FKEB Cc1ccc(/C=N/n2c(-c3ccc(C)c(C)c3)cs/c2=N\C(C)C)s1 15981611 ADLHBAPPVOTZFV-GRWXYWTESA-N 369.559 5.395 30 40 FKEB CCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 17125653 AIFIUKHBQFRURN-KGENOOAVSA-N 370.543 6.425 30 40 FKEB CCCCO[C@@H](C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103539360 JVUFBBZUSNWYRE-MRVPVSSYSA-N 364.248 5.024 30 40 FKEB CCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213468 AIFIUKHBQFRURN-STZFKDTASA-N 370.543 6.425 30 40 FKEB CCCCCCCCNCc1ccc(-c2ccc(Br)cc2)o1 105344334 SHLMEWQZWRFXTM-UHFFFAOYSA-N 364.327 6.159 30 40 FKEB C=CCSc1ccccc1C(=O)NCCCc1cccc(OC(C)C)c1 219813799 BUDAUOFWPJXCEP-UHFFFAOYSA-N 369.530 5.115 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 408847068 OWAMQCHSFDUYSY-XKZIYDEJSA-N 358.272 5.601 30 40 FKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 408907239 AFRJKWKHYKHTMG-XRKMEXABSA-N 364.514 5.706 30 40 FKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)c1 409216160 FTSAMLZGRNCBJN-MFKUBSTISA-N 372.468 5.380 30 40 FKEB Cc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409238516 KURSQPLCXMMBEE-CIAFOILYSA-N 354.247 6.077 30 40 FKEB Oc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 3961749 DZBXOLILEMYJTJ-HZHRSRAPSA-N 371.465 5.629 30 40 FKEB C=C[C@]1(C)[C@@H](O)CC[C@H]2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C 4533099 LCPAUIIWRMSYSN-GLMGGMOVSA-N 362.554 5.124 30 40 FKEB N#Cc1ccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 4925675 BBJLQINCSQSXKP-UHFFFAOYSA-N 364.474 5.207 30 40 FKEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 6579630 NRKPITRJCXRLDI-SSDVNMTOSA-N 374.223 5.791 30 40 FKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(F)cc2Br)cc1 51318694 ZHJKFEVJINDXBB-MDZDMXLPSA-N 362.242 5.520 30 40 FKEB C/C(=N\Nc1nncc2ccccc12)c1ccc(-c2ccc(F)cc2)s1 98054395 HMZMYQCEDDLAEF-YDZHTSKRSA-N 362.433 5.334 30 40 FKEB O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2)N1C1CCCCC1 100437028 SPVRBDMLDLMFAG-PTPABZONSA-N 368.527 5.685 30 40 FKEB C=CCOc1ccc(C(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 225558716 BNHHNDOBDFHNGI-FQEVSTJZSA-N 365.473 5.064 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1OC 254819985 YJXGUOCYDKSVDO-UHFFFAOYSA-N 356.878 5.297 30 40 FKEB Oc1c(F)cccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 1434413 ULCOZDPCZNMVQJ-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB CCCCCCCCCCNS(=O)(=O)c1cc(Cl)ccc1Cl 2750924 GPYMUHYLHHIAHF-UHFFFAOYSA-N 366.354 5.412 30 40 FKEB C=CCSc1nc(Sc2ccccc2)c2sc3ccccc3c2n1 4092645 NCRYXCOOMPOKBY-UHFFFAOYSA-N 366.536 6.274 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c(OC)c1 5248971 AIMOALYLUCFISD-NTCAYCPXSA-N 374.436 5.179 30 40 FKEB COc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 5555355 NBLHOQVFJHGZNS-HKWRFOASSA-N 369.420 5.568 30 40 FKEB CCCCCCCCCCCC[S@@](=O)[C@@H]1CCCC[C@@H]1OC(C)=O 8442541 UIXJKRQTHMCKBN-ROKPMTFOSA-N 358.588 5.530 30 40 FKEB C(=N/Nc1ccccn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 12619360 ZJZIFHARYDJVHH-LGUFXXKBSA-N 364.452 5.997 30 40 FKEB CCCC[C@H](CC)COC(OC[C@@H](CC)CCCC)C(=O)/C=C/C(C)C 17289677 XAVZCHZOMKLYST-KUOZIZRBSA-N 368.602 6.560 30 40 FKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C(F)(F)F)cc1 51318736 XBXWLDNFDIFBGD-MDZDMXLPSA-N 367.798 6.291 30 40 FKEB COc1ccc(C2=C(Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 101092340 MBJFFRFIVHVUPO-UHFFFAOYSA-N 355.437 5.489 30 40 FKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408739666 YSDYETXUVDWJRK-WQRHYEAKSA-N 370.905 5.663 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc([N+](=O)[O-])c2)c1C 408961392 SLTVVMBVEXIOMM-UCQKPKSFSA-N 361.445 5.624 30 40 FKEB Clc1cc(Cl)cc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 2848892 MAMDAINUFQUWAD-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1 4180838 PADJLLIEJXKANQ-UNKLTCDHSA-N 372.443 5.538 30 40 FKEB CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C(C)C)cc2)cc1 4651760 DMBMKMZZVCPINH-HAVVHWLPSA-N 353.462 5.570 30 40 FKEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N/OCc2c(Cl)cccc2Cl)cc1 5382281 JIMACHJGDFRGCV-GTVPNBLNSA-N 364.272 5.698 30 40 FKEB Oc1ccc2ccccc2c1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 5739809 XRQJHZDPPPVZQF-AUEPDCJTSA-N 364.754 5.664 30 40 FKEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cccc(Cl)c2Cl)c1C 5938529 YNEWIXIPSIHPDS-CMDGGOBGSA-N 366.244 5.011 30 40 FKEB C=CC[n+]1c(-c2ccccc2)csc1Nc1cccc(C(F)(F)F)c1 26570132 NJAUZLRHXDPNLC-UHFFFAOYSA-O 361.412 5.651 30 40 FKEB CCCCCCCC[C@H](C)c1cccc([C@H](C)CCCCCCCC)c1O 104162276 AMAPQLXDBQEZPS-ZRZAMGCNSA-N 374.653 9.100 30 40 FKEB CCCCCCCNCc1ccc(OCc2cccs2)c(OCC)c1 105246273 PJMARSAANYTQJK-UHFFFAOYSA-N 361.551 5.786 30 40 FKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 225676290 MPPIOGKLSLUISO-UHFFFAOYSA-N 362.473 5.044 30 40 FKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@@H]1C[C@H]1c1ccccc1 1775975993 HVXXDLPSGXMGQW-VNTMZGSJSA-N 355.441 5.033 30 40 FKEB O=C1C(=Cc2c3oc4ccccc4cc-3c3ccccc23)C(=O)c2ccccc21 3270733 SUYCOXRSIQBWAX-UHFFFAOYSA-N 374.395 6.153 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1C[C@@H]2c1c[nH]c2ccccc12 4824689 OVOQEGFNDXCOFU-QGZVFWFLSA-N 356.469 5.563 30 40 FKEB C/C(=C\C(=N/Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 17422473 OXSZEXILERCPLU-YDCHNGLQSA-N 369.493 6.216 30 40 FKEB COc1cc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 33376547 IMMBKJGNTJGOKG-SEYXRHQNSA-N 374.436 5.179 30 40 FKEB CCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O 64625084 PNPWTPYWWUOMDS-OAQYLSRUSA-N 356.591 6.864 30 40 FKEB biogenic,in-vitro CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(OC)cc12 70665051 VPNGRVQPGRYYGP-UHFFFAOYSA-N 372.553 5.756 30 40 FKEB biogenic Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)cc1Br 100248337 AEIJLCQMRSSRSB-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB CCCCCCCCCCCCCCCCCCC/C=C/C(F)(F)F 103531174 JPOHSWXCLLLKFI-QZQOTICOSA-N 362.564 9.147 30 40 FKEB COc1ccc2c(c1)Cc1sc(/N=C\c3c(O)ccc4ccccc34)nc1-2 409048609 SRDIOLJSZUYKJC-FMCGGJTJSA-N 372.449 5.332 30 40 FKEB Clc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1 409218380 UUDUWVNVLFYZSW-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)Sc2ccccc21 409311986 IMSNTQKUUYOYCB-BKUYFWCQSA-N 362.425 5.734 30 40 FKEB CC(C)(C)C(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 754027 MSSDROAESZYUFN-UHFFFAOYSA-N 370.543 5.268 30 40 FKEB C=CCSc1nc(-c2ccc(OC)cc2)cc(-c2cccs2)c1C#N 8657385 ZWBYEASWICGZDA-UHFFFAOYSA-N 364.495 5.635 30 40 FKEB N#Cc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1 12633224 NULAJUMZZFDTSP-UHFFFAOYSA-N 358.803 6.233 30 40 FKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 20672624 HTKHCKCFVRXUSI-SFHVURJKSA-N 372.255 5.221 30 40 FKEB Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc(F)cc3)c1)C2 59503641 WWHXRLGXMFDGTC-DHZHZOJOSA-N 371.455 5.859 30 40 FKEB CCCCCCCCCCCCNC(=S)Nc1c(F)cccc1F 59608814 JMSQIVCVZXHGLU-UHFFFAOYSA-N 356.526 6.172 30 40 FKEB CCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@H]1CCCO1 100297757 IZUINEIOLHLHIT-WCRBZPEASA-N 368.558 5.567 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@@H]1C 108843656 HBJNHROHBMWODL-RVSPLBMKSA-N 362.926 5.238 30 40 FKEB Cc1cccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C 409203830 YEIXLLIODDJCIS-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C 793459 VEMXKHSCFBAAHP-SRZZPIQSSA-N 354.793 5.876 30 40 FKEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1102636 XPQOPTLFRDNQDV-QFIPXVFZSA-N 370.452 5.198 30 40 FKEB COc1ccc(/C(C)=N/N(Cc2ccccc2)c2ccccc2)cc1OC 4925495 VKYUZTBLXATNHY-HKOYGPOVSA-N 360.457 5.135 30 40 FKEB CCCCSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2 5048254 RSNJKQYMROGROS-UHFFFAOYSA-N 356.922 6.045 30 40 FKEB Clc1ccc(/C(Cc2nc3ccccc3[nH]2)=N\Nc2ccccc2)cc1 6315754 BNKDKWPPFOXHJE-QOMWVZHYSA-N 360.848 5.275 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(Cl)cc2O)o1 12445999 HDZKPUTZTWULLK-FBHDLOMBSA-N 355.777 5.063 30 40 FKEB CN(CCC#N)c1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3[nH]2)cc1 18064470 PSVYYEFPKNVMAZ-WJDWOHSUSA-N 371.271 5.303 30 40 FKEB O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cc2cc(Cl)ccc2o1 58406499 MJQHTANTWBMEMY-SOFGYWHQSA-N 360.800 5.439 30 40 FKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 408756893 VANFNOMBRSZNME-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 408936747 PTIIJCXVQPDUTI-ZMOGYAJESA-N 372.346 5.033 30 40 FKEB Cc1ccc(SC2=CC(=O)C(Sc3ccc(C)cc3)=CC2=O)cc1 1664727 OXOSZIPBWQIBNL-UHFFFAOYSA-N 352.480 5.107 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1 4779942 MZZVCSFUVJXTKL-DEDYPNTBSA-N 367.499 5.060 30 40 FKEB CCCCC[C@@H](CN(C)C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N\O 5385199 NRHHMCVOSSAKLS-AEFIZBKUSA-N 357.325 5.595 30 40 FKEB Cc1ccsc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)C)c1 5824112 RESAKFVTQFLGFK-NVMNQCDNSA-N 352.912 5.256 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 8084677 ZHOMKJJCAJUFRL-MFKUBSTISA-N 363.888 6.540 30 40 FKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 8811672 NVZWTZUFFPPFMW-ZMOGYAJESA-N 372.299 5.525 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)CCCc2ccccc2)c1 26780278 IUJIUKQDBDBSPG-IBGZPJMESA-N 364.533 5.665 30 40 FKEB Fc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 59463555 YVCSFMJXFCFBQH-BUVRLJJBSA-N 358.441 6.367 30 40 FKEB CCc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 59679281 WODPMOBYORXOSQ-KGENOOAVSA-N 353.263 5.553 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(Cl)c1 216847657 WHEVMBMQQZUGAF-UHFFFAOYSA-N 351.229 5.224 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 408587162 RKGKOXXYJBAYHL-UHFFFAOYSA-N 353.506 6.295 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(Cl)cc3)c2c1 408776743 QXUNOERFTRGOFP-ZVHZXABRSA-N 360.844 6.248 30 40 FKEB CC(C)c1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 408848078 PHHZJQCFQCNMME-HYARGMPZSA-N 367.290 6.114 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 408937945 RFZCVHZEBPTMIQ-ZMOGYAJESA-N 371.362 5.205 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc3c(c2)OCO3)cc1OC 409380381 MCZLQUCBZLDHNL-INEXWVMZSA-N 361.825 5.005 30 40 FKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(Cl)cc1 3133669 WCYCLOPLCPEBHW-UHFFFAOYSA-N 374.749 6.085 30 40 FKEB O=C(Nc1cccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 3140656 VSYQQIDTXBATHF-UCNNRJBBSA-N 371.396 5.263 30 40 FKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)CCc2ccccc2)c1 3256972 UGMVFPHNIASCKM-GOSISDBHSA-N 350.506 5.275 30 40 FKEB CC(C)Oc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10118886 YWBCQDILKVFRKV-ZVHZXABRSA-N 352.865 5.404 30 40 FKEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(OC)cc1 12406372 MMYWHJHNYFTJQQ-VSSLKNPCSA-N 362.473 5.011 30 40 FKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 33957406 UVQJZCDBSITYNI-HOZJRGJNSA-N 372.512 5.723 30 40 FKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(C(=O)O)cc3)cc1)C2 59501492 SJBURRNYJLJDST-DHRITJCHSA-N 370.452 5.272 30 40 FKEB CCCCCCCCCCCCCCCC[C@H](C(=O)O)S(=O)(=O)O 59726489 XQITUXIEASXIMZ-QGZVFWFLSA-N 364.548 5.199 30 40 FKEB C(#Cc1c(-c2ccccc2)c2ccccc2c2ccccc12)c1ccccc1 90751302 IVHHXNWKZTVOLG-UHFFFAOYSA-N 354.452 7.060 30 40 FKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 100926430 LETXGNFACGYBFQ-VKAVYKQESA-N 363.548 5.257 30 40 FKEB Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1 102961312 HHSNSLCGVNREIX-PCLIKHOPSA-N 355.416 5.298 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)oc2c1 103753590 SNWOSNMJAKIYAJ-FSJBWODESA-N 356.381 5.283 30 40 FKEB C(=N/n1c2ccccc2c2ccccc21)\c1cccc2cc3ccccc3cc12 2274928 FMJJDBBSKPXHJP-MTDXEUNCSA-N 370.455 6.983 30 40 FKEB C(=N\N(c1ccccc1)c1ccccc1)\C(c1ccccc1)c1ccccc1 5030510 QAWQNQLKQKULMZ-MEFGMAGPSA-N 362.476 6.643 30 40 FKEB Cc1sc(NC(=O)c2cccc(OCc3ccccc3)c2)c(C#N)c1C 14258576 YQEGHPCSLNGHHT-UHFFFAOYSA-N 362.454 5.068 30 40 FKEB C[C@@H]1CC/C(=C/c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 16958972 OMLHTHDNMOEJMF-CNKCWCKNSA-N 357.280 6.459 30 40 FKEB Cc1ccc(C(=O)/C=C/C2=C(N3CCCCCC3)Cc3ccccc32)cc1 55120947 XAZPKFATMYNVAR-CCEZHUSRSA-N 357.497 5.577 30 40 FKEB CCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1 59479210 OQNGNXKLDCKIIH-UHFFFAOYSA-N 354.556 6.093 30 40 FKEB O=C(/C=C\c1ccc(Br)cc1)c1ccc(Cl)cc1Cl 71610544 MXALKBADWPNLKQ-BAQGIRSFSA-N 356.046 5.652 30 40 FKEB O=[N+]([O-])c1cc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)ccc1Cl 100003548 BKIKAHFPYFCDAY-KGGYLUOISA-N 364.792 6.414 30 40 FKEB CCCCCCCCNC(=O)Nc1cc2cccnc2c2cccnc12 104742513 AIFAWWYRGVMSGU-UHFFFAOYSA-N 350.466 5.265 30 40 FKEB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)Cc2ccccc21 203716666 NAYARXLSYWVULU-NTCAYCPXSA-N 354.327 5.788 30 40 FKEB CCOc1ccc(Cl)cc1/C=N/N(c1ccccc1)c1ccccc1 408812132 BIGPVVXGRAIRCX-XQNSMLJCSA-N 350.849 5.911 30 40 FKEB Clc1cccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1Cl 1059485 PLVPCWJJLLJOQV-SRZZPIQSSA-N 356.212 5.652 30 40 FKEB C=CC[C@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1cccc(OC)c1OC 4682995 SPJSDMUVWYYMBN-JENIJYKNSA-N 358.478 5.103 30 40 FKEB Clc1ccc(CO/N=C(\c2ccccn2)[C@@H]2C[C@@H]2c2ccccc2)cc1 5684914 KXSCUFLGDPVJOC-CFGAQUAZSA-N 362.860 5.460 30 40 FKEB N#Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 11822673 SONJSPLVXTUIBP-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB CCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 95585048 RJSLGEHCGWLDGI-UHFFFAOYSA-N 358.551 6.670 30 40 FKEB Cc1ccc(N(C)/N=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 408727176 VAPFQOSHGYJMPI-LVWGJNHUSA-N 368.436 5.052 30 40 FKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1cccc(Cl)c1 408755042 TUHZXBWOQLYALO-ZVHZXABRSA-N 374.875 5.742 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 408962521 YVZHLPBQPLAYPZ-UHFFFAOYSA-N 369.464 5.428 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(C#N)c1C 409149824 RRTNZTKMRDAZQR-LSFURLLWSA-N 368.776 5.130 30 40 FKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Br)c(Cl)c2)c1 652059 ZQKLJUSUKOYRAZ-REZTVBANSA-N 374.021 5.415 30 40 FKEB CC(C)OP(=O)(OC(C)C)/C(CC12CC3CC(CC(C3)C1)C2)=N\O 3900016 DKRUCQFJZKRFMV-ZPHPHTNESA-N 357.431 5.424 30 40 FKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(Cl)c1O 6555324 HTSQMUTZTNAENS-KKBVUKDESA-N 366.686 6.072 30 40 FKEB Brc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 15989419 FDWISOQOYCHXRK-XDHOZWIPSA-N 357.276 6.005 30 40 FKEB COc1ccc(/C=C\C(=N/N=C\c2ccccc2O)c2ccc(F)cc2)cc1 16922745 GFTFCQRPCUHCEL-DFTUQWSRSA-N 374.415 5.077 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC 6959671 BYAKFTNQVPCQLJ-SRZZPIQSSA-N 352.261 5.850 30 40 FKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 10118941 GIOPEXUJTVPKGE-ZMOGYAJESA-N 372.299 5.525 30 40 FKEB O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 13682442 UMKHCRSVKSLDCT-MOURARDWSA-N 372.395 5.534 30 40 FKEB O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)c2ccccc21 408913136 LAPCOYIFXUQSHF-UHFFFAOYSA-N 374.823 5.382 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)S2)c(C)c1 409005895 GHHXAKQQUKZWKY-MOSHPQCFSA-N 374.465 5.455 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4Cl)cc3)sc2c1 1883468 NGGWIACZWRBRNQ-YDZHTSKRSA-N 362.885 6.676 30 40 FKEB N#Cc1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCCC2 2737637 XLEVKFBSPJBJSA-UHFFFAOYSA-N 358.894 5.113 30 40 FKEB Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 4322980 IODJIXPJLYGQPS-HXUWFJFHSA-N 369.464 5.773 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 4975163 NXAYIWVAGRXNFI-BXWFABGCSA-N 371.267 5.722 30 40 FKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)N=C2O)cc1 6262062 DAMAMJSRFPJKIX-ATVHPVEESA-N 370.861 5.637 30 40 FKEB COc1ccc(CS/C(S)=N/c2ccccc2C(F)(F)F)cc1 6411239 CQGKAXYNQWSEEK-UHFFFAOYSA-N 357.422 5.565 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 8368663 DDYGGMUBJUOQOR-DHRITJCHSA-N 367.851 6.426 30 40 FKEB CCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 100301956 XJTVXJGPXZJACC-KRWDZBQOSA-N 364.463 5.715 30 40 FKEB CCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2O)cs1 100933937 FSHMLBGPKFHKOV-UHFFFAOYSA-N 374.550 6.375 30 40 FKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)c1 408965182 GTAAHZMUWBMEDP-HAHDFKILSA-N 352.478 5.022 30 40 FKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCCC 409112143 FDZRJCGJDUVZMC-UHFFFAOYSA-N 353.506 5.777 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)c(Br)c1 409228563 ZGOJKKWUJZRMNX-SRZZPIQSSA-N 374.665 6.422 30 40 FKEB Fc1ccccc1-c1nc2cc(/N=C/c3ccc(Cl)cc3)ccc2o1 5771922 WHHZHPFFSXVWID-FSJBWODESA-N 350.780 6.038 30 40 FKEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1Cl 5786797 IFYNXTCJFRAMHD-DNTJNYDQSA-N 370.692 6.093 30 40 FKEB CCCCCCCCCCCCCCCCCCNC(=O)NCCO 100309157 ZLPHWELNYCNFHK-UHFFFAOYSA-N 356.595 5.539 30 40 FKEB C=CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 216852643 RIQKHDGMTHBDGB-UHFFFAOYSA-N 352.817 5.415 30 40 FKEB Cc1ccc(N/N=C\c2c(C)nn(-c3cccc4ccccc34)c2C)cc1 408989097 GXJRVLFMOKHUNL-IWIPYMOSSA-N 354.457 5.397 30 40 FKEB Cc1c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cccc1-c1ccccc1 575358505 NXPPIEBNMRIPCY-UHFFFAOYSA-N 364.260 5.678 30 40 FKEB COC(=O)c1ccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)cc1 1435010 JQCOWEYNDRIUCR-OEAKJJBVSA-N 356.381 5.032 30 40 FKEB N#C[C@H](c1cccc([N+](=O)[O-])c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1731810 GBEKEAOIGQOROL-FCHUYYIVSA-N 370.408 5.259 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)o1 4678057 NEUIOQYYZJXHQI-OUKQBFOZSA-N 353.805 5.842 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 4863788 QMIXHJSEPKYDRQ-DTQAZKPQSA-N 368.411 5.575 30 40 FKEB CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 5139540 NPBDWXMKLFBNIW-QZQOTICOSA-N 357.801 5.404 30 40 FKEB COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)N=C2O)c(OC)c1 6642031 VUTDNHTVEUSSIG-PXNMLYILSA-N 374.849 5.089 30 40 FKEB CCCCCCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 98045197 KSYPNNGQGPJCHT-SFHVURJKSA-N 360.542 5.251 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)c(Cl)c1 109150933 WNCFMPFKHUXTNP-JJFYIABZSA-N 351.252 5.792 30 40 FKEB CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 198080281 FEMISIHLDBJTHW-HUSFYUSLSA-N 363.505 5.426 30 40 FKEB CSc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409077471 FLOMAGNMVSTBAN-LUILSVGHSA-N 368.571 6.243 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409097137 FWWKRNASSTUKAS-YDZHTSKRSA-N 372.320 7.204 30 40 FKEB COc1cccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 1508551 QZFZNMMUUUQVQC-LPYMAVHISA-N 373.368 5.162 30 40 FKEB CC(C)(C)C1=CC(=Nc2c(Cl)cccc2Cl)C=C(C(C)(C)C)C1=O 4772691 DFUJKHKBSMNOAP-UHFFFAOYSA-N 364.316 6.594 30 40 FKEB C=C(CC(=O)OC[C@@H](CC)CCCC)C(=O)OC[C@@H](CC)CCCC 4933562 CGNRQCGWXXLTIA-OALUTQOASA-N 354.531 5.452 30 40 FKEB in-vitro O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 6048614 VHTOXGBSXWHXTG-FNORWQNLSA-N 355.699 5.163 30 40 FKEB N#C[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 8637297 VHRUTNANODBVQT-SANMLTNESA-N 359.472 6.328 30 40 FKEB CN(C)CCC(/C=C\c1ccccc1)=N\Nc1ccc(Cl)cc1Cl 17194739 JMKLZKURDRCDFN-QWRWPHRRSA-N 362.304 5.426 30 40 FKEB CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1OC 59608703 DRCZZLCXXVDOPE-UHFFFAOYSA-N 355.544 5.358 30 40 FKEB Cc1ccccc1Cn1c(C#N)cc(N)c1Sc1ccc(Cl)cc1 225888986 SYQLJQZVOKSGGN-UHFFFAOYSA-N 353.878 5.103 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C)cc1C 334157797 UJKNTUVBTGSYMT-UHFFFAOYSA-N 354.906 5.905 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 408691820 RVOMZFSQEVZOAL-XNTDXEJSSA-N 362.856 6.124 30 40 FKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1 408915314 ZLURCUOETDLLSK-YVASXTLYSA-N 374.465 5.645 30 40 FKEB Cc1ccc(-n2cccc2/C=N/c2ccc([N+](=O)[O-])cc2C)cc1Cl 409019457 ZDNFMSYONICUNZ-CIAFOILYSA-N 353.809 5.406 30 40 FKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 409203521 XQPJLRYQDFBUGQ-MFKUBSTISA-N 359.469 5.950 30 40 FKEB C/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1cc(F)c(F)cc1C 4491807 JJIIRNLPXGSUSF-WNFQYIGGSA-N 363.622 6.070 30 40 FKEB CC1(C)C[C@H]2C[C@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1 4604023 JULVZMSKTWYPIV-JOTACAGLSA-N 355.551 5.449 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)o2)cc1 4853541 TXNAALDKUAQFEE-PKNBQFBNSA-N 367.242 5.914 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C#N)C1 5383703 CHKUZICPTSPNEB-BUUCAEBMSA-N 354.475 5.016 30 40 FKEB CCCCCC/C=C\CCCCCCCCCC1=CC(=O)C=C(OC)C1=O 8214419 YYCCUFKHCNSRIA-HJWRWDBZSA-N 374.565 6.632 30 40 FKEB biogenic,in-vitro CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1CC 8387002 PREJLZBYODHGDX-UHFFFAOYSA-N 360.542 5.225 30 40 FKEB Cc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)cc1 59194496 DPVUOTFOBBHHCG-OEAKJJBVSA-N 373.481 5.630 30 40 FKEB CCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 100295147 VAZJSOGWHFPJDB-OALUTQOASA-N 354.531 5.177 30 40 FKEB c1ccc(/N=C(C(=N/c2ccccc2)/c2ccccn2)\c2cccnc2)cc1 104187808 WBLGQIWXZJULKS-LMCGJEQXSA-N 362.436 5.418 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219817710 RIWLUGOCWMZSKQ-SFHVURJKSA-N 367.514 5.305 30 40 FKEB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225759027 MRYMGNYIIUFZPV-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CCC)O[C@@H]1c1ccc(C(=O)O)cc1 618017000 RFSQBBXWPTZEGZ-BXXSPATCSA-N 364.485 5.991 30 40 FKEB O=C(C/C(=C1/CCCc2ccccc2C1=O)c1ccccc1)c1ccccc1 1041124 OVSWKBUIALZQKI-WCWDXBQESA-N 366.460 5.932 30 40 FKEB Oc1ccc2ccccc2c1/C=N/Nc1cc(Cl)nc(-c2ccccc2)n1 4713165 BXQJPFWARNPJDC-YDZHTSKRSA-N 374.831 5.102 30 40 FKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(F)cc1 5377000 UGAXACASUFELAX-AUWJEWJLSA-N 367.232 5.024 30 40 FKEB CCCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl 8811583 DZUZUPDGJZCXCV-BUVRLJJBSA-N 352.865 5.406 30 40 FKEB N#Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 33579972 UWYHEMKFJMZBTR-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB C=CCOc1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 44904633 AEBGOQGRUFVKEL-GOSISDBHSA-N 361.894 5.414 30 40 FKEB Cc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59463550 BKWMNYHQIINNDE-LFVJCYFKSA-N 354.478 6.536 30 40 FKEB c1ccc(/N=C2/c3ccccc3NC2(c2ccccc2)c2ccccc2)cc1 104202229 CYOQIJLIDJSXET-RFBIWTDZSA-N 360.460 6.177 30 40 FKEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1cccc(Cl)c1 104283825 NZFAGPFREPVQQW-VHXPQNKSSA-N 351.841 5.698 30 40 FKEB C(=C\Nc1ccc(-c2ccccc2)cc1)\C=N/c1ccc(-c2ccccc2)cc1 104313266 NMTVOLGEUFUEOW-IGNQMSMHSA-N 374.487 7.349 30 40 FKEB CCCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 104343984 NCEFDWJYYQJIKU-UHFFFAOYSA-N 367.489 6.359 30 40 FKEB Cc1ccc(OC2=C(Oc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 196969902 GMBCRPNXHZPIJM-UHFFFAOYSA-N 370.404 5.052 30 40 FKEB C[C@@H]1C[C@@H](C(O)=Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CCO1 330027326 MXWHJXSMPINSHG-NEPJUHHUSA-N 365.260 5.459 30 40 FKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C(C)C)cc1 408594678 UURMPICJJDHEMG-CVKSISIWSA-N 371.484 5.640 30 40 FKEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(Cl)cc3)nc1-2 408723575 WWTKZUHWWLAHES-AWQFTUOYSA-N 356.834 5.115 30 40 FKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 409331516 FZTNSGOEBFUIQL-YBFXNURJSA-N 362.406 5.283 30 40 FKEB N#Cc1cscc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 551192974 LXNFPAKFINHFTH-UHFFFAOYSA-N 371.421 5.213 30 40 FKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Cl)cc1 4675919 GBEYVLLWTHQATR-CMDGGOBGSA-N 350.643 5.219 30 40 FKEB CCCCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 101380420 DRLCYSJWBBDTOV-UHFFFAOYSA-N 361.467 5.407 30 40 FKEB CCCCCCCCCCCC1=N[C@@](C)(COC(=O)c2ccccc2)CO1 104326483 QHBPGMYOYGWKSF-HSZRJFAPSA-N 373.537 5.952 30 40 FKEB C=CCc1cc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)ccc1OC 223072237 YNZXNCDTFSSJIR-JOCHJYFZSA-N 363.501 5.184 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2SC)cc1OC 409375489 LNBUWXNUZNOVRB-XMOVILSBSA-N 363.910 5.998 30 40 FKEB CC(C)(/C=N/OCc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 3134252 RNPCJTJHCGDSNF-UDWIEESQSA-N 354.302 6.067 30 40 FKEB O=C(C1=C[C@@H]2Cc3ccccc3[C@H]2C=C1)c1ccc(Br)cc1 36692405 YOUJEBXQCVILQB-LPHOPBHVSA-N 351.243 5.084 30 40 FKEB Cc1cc(Cl)ccc1N/C=C/C(=O)c1ccc(Br)cc1 51318600 CNQWKEJQQZTOLX-CMDGGOBGSA-N 350.643 5.219 30 40 FKEB COc1ccc(N/C=C/C(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 100363712 ADSLKGDDLFRLBC-BUHFOSPRSA-N 370.408 5.312 30 40 FKEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)NCCOCC 104109860 NJMMTCPRUPAXQO-NHCUHLMSSA-N 369.590 5.388 30 40 FKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O 118918960 BXEKJWVUCNPPSL-AODJGODUSA-N 362.557 6.682 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 408585668 GYFQDYDIMUAAHE-UHFFFAOYSA-N 373.924 6.640 30 40 FKEB Oc1ccccc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408979474 QWSUIODHALQXFR-OEAKJJBVSA-N 362.498 6.314 30 40 FKEB Clc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409087074 GDAFXJZXPKJEBT-XKZIYDEJSA-N 358.293 6.895 30 40 FKEB C=CCOc1cccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)c1 3999936 RRGKXVOOKQRWGZ-ZOBSEURRSA-N 374.484 5.119 30 40 FKEB biogenic Cc1ccsc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 9050920 RYLDPXTZIYRPON-LCWOEKJLSA-N 374.461 5.765 30 40 FKEB CCCC(C)(C)[C@@H]1CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9316495 CUDHLWXCRNZIFF-CVALACBASA-N 362.430 5.287 30 40 FKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2nc(C)ccc32)cc1 12462683 FDIKFPKROSSGGO-QFIPXVFZSA-N 370.452 5.116 30 40 FKEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccco3)o2)cc1 14197132 SSLFJAKFZSVJIN-UHFFFAOYSA-N 359.410 5.161 30 40 FKEB C=CCc1cc(CO)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 34772861 BZXHFGSNTOERJW-UHFFFAOYSA-N 367.272 5.192 30 40 FKEB O=C(Nc1cccc(/N=C/c2ccccc2O)c1)c1cc2ccccc2o1 80340248 GARSYJFAUZTXOL-OEAKJJBVSA-N 356.381 5.141 30 40 FKEB CCCCCCCCCCCCC(=O)CCCC(=O)Nc1cccc(C)c1 101674659 VNBHMIBKMFXSMR-UHFFFAOYSA-N 373.581 6.984 30 40 FKEB CN1/C(=C/C=N/c2ccc(SC(F)F)cc2)C(C)(C)c2ccccc21 103454228 MRBUWVMEVPUVOR-SKLSXVDLSA-N 358.457 6.015 30 40 FKEB C[C@@H]1CCc2c(-c3ccccc3)nc(OCc3ccccc3)c(C#N)c2C1 170622709 MTFKSMWWQTXDRV-QGZVFWFLSA-N 354.453 5.324 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3cccc([N+](=O)[O-])c3C)ccc21 1087225 CQDZGECNNHWHPI-OEAKJJBVSA-N 357.413 5.782 30 40 FKEB O=C1C(=C2C=C(c3ccccc3)OC3=C2CCCC3)C(=O)c2ccccc21 2692976 WJVBJQUMMDJUON-UHFFFAOYSA-N 354.405 5.262 30 40 FKEB Clc1ccc(N/N=C/C(Br)=C/c2ccccc2)cc1Cl 3275937 VIEVXPOQDUUPBR-BSHSOUCVSA-N 370.077 5.827 30 40 FKEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@@H](C)c1ccccc1 5453230 PSBKHFFWZVACEH-KRWDZBQOSA-N 368.484 5.793 30 40 FKEB CCCOc1ccc(/C=N/Nc2ccc3ccccc3c2)c(OCCC)c1 6431357 WIUYSWLWPWVMOR-JJIBRWJFSA-N 362.473 5.863 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc3ccccc23)c1C 408966068 JSZUKAGPBGLKQA-YZSQISJMSA-N 352.481 6.560 30 40 FKEB N#Cc1c(/N=C/c2ccc(-c3ccc(F)cc3F)o2)sc2c1CCCC2 408976872 ULQWUTSERAXOGM-BHGWPJFGSA-N 368.408 5.787 30 40 FKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 409072735 DCTYNBXBOQYRMX-LPYMAVHISA-N 366.804 6.100 30 40 FKEB COc1ccc(/C=N/c2ccc3c(c2)c2nc4ccccc4nc2n3C)cc1 977773 IRLYMOIGJPUVRG-ZVHZXABRSA-N 366.424 5.034 30 40 FKEB S=c1[nH]nc(-c2ccccc2)n1/N=C\c1ccc(-c2ccccc2)cc1 2318560 BYBFQULBCNZFSR-JCMHNJIXSA-N 356.454 5.157 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 2886670 MBZAXRIKJUKFLF-OAHLLOKOSA-N 372.493 5.664 30 40 FKEB CCCCCOc1ccc(/N=C/c2ccc(Sc3ccccn3)o2)cc1 3082890 MJCSRUWMKDYDEL-XQNSMLJCSA-N 366.486 6.145 30 40 FKEB C=CCn1c([C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 4033318 UHTOLNLGKVKLKB-LJQANCHMSA-N 373.500 5.085 30 40 FKEB COc1ccc(/C(=C/C(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 4369274 HFFMSHKUYUDGSY-LTGZKZEYSA-N 356.421 5.235 30 40 FKEB COc1ccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4700027 LFRZMITTYZYKCR-BJKOFHAPSA-N 367.452 5.111 30 40 FKEB C=C(C)[C@@H](CCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)[C@H](C)CC 5953913 AUTQGTNTUWGZPT-HZPDHXFCSA-N 354.490 5.548 30 40 FKEB Clc1cccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c1 6675170 NLDDMJGEOUNQDH-ZVHZXABRSA-N 373.847 5.034 30 40 FKEB O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 12956148 WOHKUUXURDDIDO-UKWGHVSLSA-N 371.651 5.178 30 40 FKEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1C[C@@H](C)C[C@@H](C)C1 18183208 YNDJUXONCOBARF-CALCHBBNSA-N 374.532 5.493 30 40 FKEB Clc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 59463552 QKHICXWRPDNCRR-BUVRLJJBSA-N 374.896 6.881 30 40 FKEB C=CCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 408706038 UAWGSFQTHMMEDJ-UHFFFAOYSA-N 359.425 5.468 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 408963955 BJGMHQJYKGCCLR-NLRVBDNBSA-N 358.529 6.750 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 409088598 FSGGNNPWXIVDJI-LSFURLLWSA-N 359.212 6.086 30 40 FKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@@H](C)c1ccccc1 704837 GKDSBLSSIPWWIP-INIZCTEOSA-N 354.457 5.403 30 40 FKEB N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccccc1 755435 ZJQYOXOAEZZNCT-UHFFFAOYSA-N 360.438 5.066 30 40 FKEB C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 5132303 CHUJQBLSFCGWLS-ICFOKQHNSA-N 362.856 6.205 30 40 FKEB COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)s2)cc1 5360804 XSFGGWFPFDWYSL-ZRDIBKRKSA-N 354.858 5.973 30 40 FKEB CCOc1ccc(-c2cs/c(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)[nH]2)cc1 5512080 RSXRHTIMHWWGGB-ATQWUDTISA-N 369.534 5.245 30 40 FKEB Cc1ccc(N/C=C2/S/C(=N\c3ccccc3C)N(C)C2=O)cc1Cl 6451454 KVPDEEXXXUXPLS-AVJLYGTLSA-N 371.893 5.103 30 40 FKEB COc1ccccc1/C=C\C1=C(C)C(=O)C[C@@H](c2ccccc2OC)[C@@H]1C 17104713 MMBWSOJWZHGXOX-SYCLGQATSA-N 362.469 5.426 30 40 FKEB CCCCN(CC)c1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20828816 OJVOIUHKXAKQRI-UHFFFAOYSA-N 363.505 5.098 30 40 FKEB CC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 141828196 OJISKQKRAYLYPP-ARJAWSKDSA-N 374.140 5.691 30 40 FKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCCC 409120384 VSEWFCKYIUTPPS-UHFFFAOYSA-N 373.924 6.177 30 40 FKEB O=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCS1 1083777 HQXLGULPGWKFPZ-OUKQBFOZSA-N 366.507 5.234 30 40 FKEB CC(=O)C(C(C)=O)=C(SCc1ccccc1)SCc1ccccc1 1086435 XYRJLHVNQNZINO-UHFFFAOYSA-N 356.512 5.243 30 40 FKEB biogenic CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccc(F)cc2F)cc1 4867017 ZSOUPGQDSVWOKP-MFKUBSTISA-N 365.427 5.437 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 5020912 LHSUKNKCUPQGHP-SRZZPIQSSA-N 362.285 5.953 30 40 FKEB Cc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br 9195917 OIWURZSRODZJIC-UFWORHAWSA-N 372.093 5.188 30 40 FKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(F)cc1 35647342 UGAXACASUFELAX-VGOFMYFVSA-N 367.232 5.024 30 40 FKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225932315 DHUOEKGGFIJAJD-UHFFFAOYSA-N 369.892 5.745 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)cc1 408755636 RIOIGTJPRUWZLG-ZVHZXABRSA-N 350.893 6.369 30 40 FKEB Clc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408857854 PHAJXLSRXGNEAU-ZDLGFXPLSA-N 353.647 5.046 30 40 FKEB O=C1C(=C2C=C(c3ccccc3)Sc3ccccc32)C(=O)c2ccccc21 940647 SEYPBWNPICZTJR-UHFFFAOYSA-N 366.441 5.666 30 40 FKEB COc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 3081504 LMNUSYOZOSQUPW-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c2ccccc21 4688206 SDDMGQWGOLDFQB-DEDYPNTBSA-N 373.481 5.027 30 40 FKEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1C#N 4880556 GFBRHGWMRWOPCO-UHFFFAOYSA-N 371.849 5.051 30 40 FKEB COc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 5661428 HXAHBSZMFKSVSV-YZSQISJMSA-N 367.448 6.178 30 40 FKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1C 6303069 ZXESJGJDRIWUOK-UHFFFAOYSA-N 355.894 5.385 30 40 FKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 59427105 VMIXQRATGWUFOI-HMAPJEAMSA-N 363.417 5.152 30 40 FKEB O=C1[C@@H](Cc2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 100436135 YRGIXGZBFRNAQP-QAHCAUCSSA-N 358.466 5.065 30 40 FKEB COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 106897518 IJQVWXNRVKRWIO-DHZHZOJOSA-N 363.369 5.068 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 408739612 DAWQVWSLYPGVBA-OEAKJJBVSA-N 351.881 5.564 30 40 FKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 408864695 YIKWVUIWNGMWLL-ZBJKJOAESA-N 366.486 5.462 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O 409095881 IWDCDPRNRKAMND-CIAFOILYSA-N 368.776 5.497 30 40 FKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C)c(Cl)c1 409098277 PFTJXIFNSMQZBL-LPYMAVHISA-N 358.869 5.016 30 40 FKEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl 4554800 QVIMKZAILLHGNQ-LLVKDONJSA-N 374.893 5.049 30 40 FKEB C/C(=N\OC(=O)CCc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 36644269 OAABPKDPXMJQAE-KOEQRZSOSA-N 355.437 5.158 30 40 FKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4ccccc4)cc3)[C@@H]2C1 59471633 FBXJFKVVERRITM-IWXYZSABSA-N 350.465 6.264 30 40 FKEB Cc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409069316 XFPMDKRVOWBGOK-YZSQISJMSA-N 374.459 6.277 30 40 FKEB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 656841 DNYGPBQONNLTIK-UHFFFAOYSA-N 374.893 5.193 30 40 FKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1cccc(O)c1 850326 VBMJFGJBJSYXEK-QHCPKHFHSA-N 370.452 5.250 30 40 FKEB Cc1cc2c(cc1C)N[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 1264214 ZZVBNYDWOMIYKX-JOCHJYFZSA-N 362.473 5.231 30 40 FKEB O=C1C(Cc2ccccc2C(F)(F)F)=C(c2ccccc2)c2ccccc21 3133507 YLPGDYZTCACBQV-UHFFFAOYSA-N 364.366 5.946 30 40 FKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(Br)cc1 3193574 CWOPDIQBWJXREI-FYJGNVAPSA-N 353.263 5.607 30 40 FKEB Cc1cc(C)c(N/N=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(C)c1 4175567 GFDDVJVMHCVZEQ-JJIBRWJFSA-N 364.449 5.214 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3c(Cl)cccc3Cl)o2)cc1 4537201 VDFGMKWMPKGAPH-PKNBQFBNSA-N 373.235 6.158 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 5529388 JTSAIZIWQHTTID-VIFPVBQESA-N 365.285 5.304 30 40 FKEB CCCn1c(/N=C(\O)Cc2c(Cl)cccc2Cl)nc2ccccc21 6187119 WNJCIAUKAQZYPS-UHFFFAOYSA-N 362.260 5.584 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1COc1ccccc1 6788091 UNTTZVCVPFCJCK-GXDHUFHOSA-N 358.437 5.479 30 40 FKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 8085102 LQNKGNYVBMGYRM-HZHRSRAPSA-N 360.413 5.487 30 40 FKEB CCCCCCCCCCCCNC(=S)Nc1ccc(F)c(F)c1 59608817 GVJFMVAEVXONIR-UHFFFAOYSA-N 356.526 6.172 30 40 FKEB O=C(/C=C\c1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 95930985 KJXKTKQESSHFLK-ICFOKQHNSA-N 364.444 6.315 30 40 FKEB CC(C)Cc1ccc([C@H](C)/C=C2/CC[C@H](CN3CCCCC3)C2=O)cc1 102852358 ZKLVNVLQZNFKHL-OOWGCLKPSA-N 353.550 5.380 30 40 FKEB C=CC[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118926478 ORIMLGKYXLWGDN-DCQIOEQRSA-N 356.550 6.073 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2C)c1C 408965504 HWHQNDBXRWTRIT-ZVHZXABRSA-N 360.457 5.414 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2Cl)c1C 408965755 IJIAFZBRSOXHKN-CFRMEGHHSA-N 371.311 6.714 30 40 FKEB Cc1ccc(N/N=C\c2c(C)nn(-c3cccc4ccccc34)c2C)c(C)c1 408999418 KVZNRGJKUMJODM-MYYYXRDXSA-N 368.484 5.705 30 40 FKEB Cc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C)c1 409229478 PQKJXXPSWIRWRC-CVKSISIWSA-N 356.444 6.196 30 40 FKEB CCN(CC)c1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 2282528 YPLKLCCPSLDLJZ-HZHRSRAPSA-N 366.896 5.431 30 40 FKEB CC(=O)Nc1cc(Cl)c(/N=C/c2c(O)ccc3ccccc23)cc1Cl 3101487 PVOIZSUIEZLXPI-LSHDLFTRSA-N 373.239 5.561 30 40 FKEB N#CCOc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 4975162 NXAYIWVAGRXNFI-TXPKVOOTSA-N 371.267 5.722 30 40 FKEB Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5054850 FVQQURMTLGQQID-UFWORHAWSA-N 364.257 5.269 30 40 FKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccccc1 6961525 ROABAHOGHPTROB-LFVJCYFKSA-N 361.441 5.424 30 40 FKEB CCCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9197854 ZQDMPNSKTSHDRF-FSJBWODESA-N 374.315 5.790 30 40 FKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(OCc3ccccc3)cc2)cc1 51318790 DPNUMDWNFUNPKL-WUKNDPDISA-N 373.452 5.473 30 40 FKEB CCOC(=O)c1ccc(N/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 100217780 QZTKZBUEOGMERA-MSUUIHNZSA-N 371.436 5.339 30 40 FKEB CC(=N\Nc1ccc(C)c(Cl)c1)/C(C)=N/Nc1ccc(C)c(Cl)c1 101160304 AAFXJRTTWRDRHC-JFMUQQRKSA-N 363.292 5.886 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 226321848 QAAXKANJSXLTNG-UHFFFAOYSA-N 371.647 5.569 30 40 FKEB Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408937191 NBMGNSDRYYUKIA-FIZBLTRDSA-N 364.492 6.572 30 40 FKEB N#Cc1c(/N=C/c2ccccc2Cl)oc(-c2ccco2)c1-c1ccco1 408974242 DNYAQQLGBUZUTR-FSJBWODESA-N 362.772 6.075 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl 409216545 JDWXLZOGGKYGCI-UFFVCSGVSA-N 352.648 5.718 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc3ccccc23)cc1OC 409379143 UTXQSHUWJGLRHW-BGHCKBSUSA-N 367.876 6.430 30 40 FKEB Fc1cc(Cl)c(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)cc1F 1772491483 LOBCXLOGLDEBSU-BHGWPJFGSA-N 368.770 6.177 30 40 FKEB C=CCc1cc(C(CC)(C(=O)CC)c2ccc(O)c(CC=C)c2)ccc1O 1677721 FQPOOGQSSKHTQX-UHFFFAOYSA-N 364.485 5.230 30 40 FKEB CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C(\C)CC(C)C 6378103 UZNZUOFQBHEGDU-CAHYBVMQSA-N 370.349 5.714 30 40 FKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 6649707 RBCHXCXQFFUDHH-SOFGYWHQSA-N 366.800 5.267 30 40 FKEB N#CCSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 9193656 ACMNLKOJGHPPJV-UHFFFAOYSA-N 367.305 5.373 30 40 FKEB CC[C@H](C)O/C(=N/c1cccc2ccccc12)Nc1cccc2ccccc12 18102193 FITNPKAPUZPFAQ-SFHVURJKSA-N 368.480 6.908 30 40 FKEB COC(=O)c1ccc(/C=N\c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 100927631 PCZJQGWRZVQKJD-OYKKKHCWSA-N 370.408 5.340 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc([N+](=O)[O-])cc3)c2c1 408788248 DAAXCFUHSYJTII-OEAKJJBVSA-N 371.396 5.502 30 40 FKEB O=C(c1cc2ccccc2c2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 575359007 NLPAZCXLFMBARM-UHFFFAOYSA-N 374.255 6.009 30 40 FKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2393990 BUDXCPDAEYIRGB-UHFFFAOYSA-N 366.273 5.323 30 40 FKEB Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(C(C)C)cc3)c2C#N)no1 2792940 ZFANFFZEZFDLPG-UHFFFAOYSA-N 365.458 5.267 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4[N+](=O)[O-])cc3)sc2c1 2848671 ZKKBLLFPQHQTPV-LPYMAVHISA-N 373.437 5.931 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(O)cc1 4384819 UCWHVEGXWVTUPG-FQEVSTJZSA-N 351.471 5.294 30 40 FKEB CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6941858 LTZKTRNIMXYIJG-LFVJCYFKSA-N 365.860 6.672 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OCC 6959799 ZGAAEGGWUVBCQC-WSDLNYQXSA-N 364.272 6.016 30 40 FKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 16102088 CRSCNBODOPEIEB-CJLVFECKSA-N 365.274 6.011 30 40 FKEB C[C@@H](Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1)C(=O)O 59249415 PESXEHJVCSTMLU-LGVXEURYSA-N 360.413 5.033 30 40 FKEB Cc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)o1 97949683 IIQKYIHBHFQJAC-MFKUBSTISA-N 371.484 6.034 30 40 FKEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc(N2CCCCC2)cc1 6269624 RXFOFANKTHQMMA-LGUFXXKBSA-N 370.496 5.724 30 40 FKEB CN1c2ccccc2C[C@](C#N)(c2nc3ccccc3s2)C12CCCCC2 7978577 FXLWIFMBJRKYLO-QFIPXVFZSA-N 373.525 5.453 30 40 FKEB Clc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1Cl 13284058 RKXGAIIRHURFIY-FSJBWODESA-N 366.251 6.141 30 40 FKEB COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)c2C#N)cc1 19805470 VVKXLGTURWAIHQ-UHFFFAOYSA-N 369.468 5.286 30 40 FKEB Brc1ccc(CSC#CC23CC4CC(CC(C4)C2)C3)cc1 20437042 OVIHUGFHSOKVAM-UHFFFAOYSA-N 361.348 5.860 30 40 FKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 100031860 VFBZHXCHFOZMAM-WSDLNYQXSA-N 358.224 6.242 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219817502 IEKRDQKOUKPBEF-GOSISDBHSA-N 367.514 5.305 30 40 FKEB Cc1cc2c(cc1/C=N\c1ccccc1O)[C@H](C)CC(C)(C)N2C(C)C 223616638 GXFWNTBWOQJAFX-SNNLMFDCSA-N 350.506 5.952 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408692173 GJMYAZRZQZJEFX-NTEUORMPSA-N 362.856 6.124 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)c1 408762118 NBLBOHWAPVFRJU-OVVQPSECSA-N 364.492 6.820 30 40 FKEB CSc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243201 XNNUUZBVSHUVAI-UHFFFAOYSA-N 370.236 5.059 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772491771 NELMHAIFXJZDST-KXXUDAHISA-N 370.533 5.396 30 40 FKEB Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c(N)c1 1052367 OZXJGRLUDYICAM-IFRROFPPSA-N 367.674 5.066 30 40 FKEB CCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCC)cc3)cc2)cc1 1087196 MYXIRWNCZLJGOL-RPCRKUJJSA-N 372.468 5.985 30 40 FKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)cc1 7616153 ULBKJIDHYMFRHR-RIHSKRERSA-N 371.392 5.757 30 40 FKEB CCCCCCCCCCCCNCn1c(=O)oc2cc(Cl)ccc21 8427100 CAIJTFOMPJUHNS-UHFFFAOYSA-N 366.933 5.716 30 40 FKEB C=CCN(C(=O)c1ccc(Cl)s1)c1nc(-c2ccccc2)cs1 14723828 GTLNBUJREASLAF-UHFFFAOYSA-N 360.891 5.358 30 40 FKEB CN(C)CCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)c(Cl)c1 17194736 YUKBHICVLDHULH-FHALQEEUSA-N 362.304 5.426 30 40 FKEB CCOc1ccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)cc1 95959913 RENUPIOSBUOTDR-RGEXLXHISA-N 373.408 5.551 30 40 FKEB Cc1c(CCC(C)C)/c(=N/c2ccccc2)n2c([nH]c3ccccc32)c1C#N 102594481 DOMIWECTKLSUQV-RWEWTDSWSA-N 368.484 5.422 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(C)CC[S+](C)CC1 104177261 NZLCZWMXABFQJE-UHFFFAOYSA-N 357.692 6.176 30 40 FKEB CCOc1cc(C)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1C(C)C 409098768 JUJNBKJIMZLQFQ-YSURURNPSA-N 365.399 5.377 30 40 FKEB O=C1C(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)c2ccccc21 409392214 OAXHVQWXKPXDBF-UHFFFAOYSA-N 374.823 5.382 30 40 FKEB CCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772493037 RACRSWIMRBVETP-VPGZLLHJSA-N 370.533 5.396 30 40 FKEB biogenic S=c1[nH]nc(C2CCCCC2)n1/N=C\c1c(Cl)cccc1Cl 2276361 JSYAVMINBADQCO-NVMNQCDNSA-N 355.294 5.177 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/Nc3nc4ccccc4s3)ccc21 5393648 UMKZWFWYDWKXCL-OEAKJJBVSA-N 370.481 5.870 30 40 FKEB CC1(C)CCC[C@](C)(C#CCN(Cc2ccccc2)Cc2ccccc2)O1 19933959 QTHDZEBWIXNPRP-RUZDIDTESA-N 361.529 5.430 30 40 FKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408967608 RFVGKLFUNHIPJU-YZSQISJMSA-N 358.529 6.705 30 40 FKEB Cc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408975910 CQIZFWUUOYCDPC-BUVRLJJBSA-N 360.526 6.917 30 40 FKEB Cc1ccccc1/N=C1\SCc2ccccc2N1C(=O)c1cccs1 14499370 LXPHWDRGXRXXLL-MRCUWXFGSA-N 364.495 5.638 30 40 FKEB CCCCCCCCCCS(=O)(=O)Nc1ccc(OCCCC)cc1 33355492 HHCHSPKITBMHPL-UHFFFAOYSA-N 369.571 5.748 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 97980868 ARZIIICKDUVPQY-HAVVHWLPSA-N 364.493 5.748 30 40 FKEB CCCCCCCCCCCC(=O)OC/C=C/COC(=O)c1ccccc1 104192842 YODDRCLEGMPMSY-CCEZHUSRSA-N 374.521 5.864 30 40 FKEB C[C@@H](/C=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931428 LPFFRMGUWCHBIL-AQVPSKOTSA-N 358.526 5.492 30 40 FKEB C=CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 123435053 VXKSEYDZMNUMAZ-OMEQTDIISA-N 374.565 5.268 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222981154 JQQNIKKDXMVORR-MRXNPFEDSA-N 351.515 5.335 30 40 FKEB CCn1c(N/N=C/c2cc(C)n(-c3ccccc3C)c2C)nc2ccccc21 408692899 XYYKHRRSHIZQPQ-BUVRLJJBSA-N 371.488 5.218 30 40 FKEB CCCCCCCCCCCCCCCCCCC/C=C\C(F)(F)F 575330373 JPOHSWXCLLLKFI-MRCUWXFGSA-N 362.564 9.147 30 40 FKEB Clc1ccccc1C/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 725883 GVDSTGIYXHEGPD-PCLIKHOPSA-N 371.871 5.812 30 40 FKEB Cc1ccc(Sc2ncccc2/C=N/OCc2cccc(F)c2)cc1 3105102 QUTRKPLAMBXYAM-YDZHTSKRSA-N 352.434 5.231 30 40 FKEB COc1ccc(/C=N/CC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1 4073246 OUCBQFUPVWLMFD-AYOIDFMMSA-N 359.554 5.762 30 40 FKEB biogenic COc1cc2c(cc1C)/C(=N/OC(=O)c1cccc3ccccc13)CCC2 5362565 BFYUWMBEKWATKW-DARPEHSRSA-N 359.425 5.054 30 40 FKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(Cl)c1 8113619 BICRFOLZXGACNB-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 8362967 PQQPOFMAWJNLCU-CUNGHOPLSA-N 356.878 5.272 30 40 FKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cccc1c32 16776760 JEZQOTOCIMVZKD-KOEQRZSOSA-N 370.374 5.368 30 40 FKEB C=CCc1cc(/C=N/c2ccc(-c3ccccc3)cc2)cc(OCC)c1O 59679108 YWXZKSBTTVGRFJ-KOEQRZSOSA-N 357.453 5.937 30 40 FKEB N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F 84559979 WJVRRBUZHLMPSN-SJORKVTESA-N 362.429 5.168 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 408740021 HSZAMSIEYOQNAU-HZHRSRAPSA-N 352.478 5.537 30 40 FKEB O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)Cc2ccccc21 409372651 OPVFSMSHNWCBNF-XDHOZWIPSA-N 360.840 5.741 30 40 FKEB COc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 712071 LUMOWWKFWBDWGY-UFWORHAWSA-N 368.658 5.184 30 40 FKEB Cc1ccc(F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2634812 JLIJSFYWSSDLLH-UHFFFAOYSA-N 365.248 5.424 30 40 FKEB CCCCCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 3239383 XHRXDIHZEQCYCO-CYBMUJFWSA-N 364.580 5.606 30 40 FKEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[C@@H](C(C)(C)C)CC1 5566097 XJSHJNBGPFREKI-VCRXTVNUSA-N 360.414 5.063 30 40 FKEB O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2)N1C1CCCC1 8654966 YYSHSMGRAQHSIZ-CJGMICOPSA-N 354.500 5.295 30 40 FKEB CC(C)=CCOc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 8765356 BQXPRJCXRJQDHA-WSDLNYQXSA-N 359.425 5.140 30 40 FKEB biogenic CCCCCCCCCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 100500112 XKIKVSBMWXPRBQ-HXUWFJFHSA-N 360.604 5.671 30 40 FKEB Cc1ccc(C(=O)/C=C2/Nc3ccccc3N=C2c2ccc(C)cc2)cc1 102898127 IRTKTKSBZNNSNA-PXLXIMEGSA-N 352.437 5.617 30 40 FKEB CCOC(=O)c1c(/N=C/c2cn(C)c3ccccc23)sc2c1CCCC2 408820861 ZXAWUYIYICNDOV-WSDLNYQXSA-N 366.486 5.046 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)c1 409067272 XHCQTBUMRHWWGV-LPYMAVHISA-N 360.486 5.458 30 40 FKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2)S/C1=N/c1ccc(F)cc1 409223025 YOPQLHGILSMRTM-FGVWYHQHSA-N 360.841 5.103 30 40 FKEB COc1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1OC(C)=O 4178218 VYAHRJXJLCDGCR-DPWLSMTKSA-N 373.412 5.787 30 40 FKEB Cc1ccc2nc(N/N=C/c3ccccc3F)nc(-c3ccccc3)c2c1 4183557 MCRHAWAHRVOUOI-ZVHZXABRSA-N 356.404 5.190 30 40 FKEB Cc1ccc(-c2ccc3c(c2)C=CC(=C2C(=O)c4ccccc4C2=O)N3)cc1 4235733 KYOZLFXCVJVXGM-UHFFFAOYSA-N 363.416 5.434 30 40 FKEB biogenic Cc1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc2c1 5364154 BVSYUZKLMRRKBI-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB COc1ccc(C(=O)/C=C(\CC(=O)c2ccc(F)cc2)c2ccccc2)cc1 12339461 CJEZJTZTUREGTA-CAPFRKAQSA-N 374.411 5.374 30 40 FKEB C(=C1\CCC/C(=C\c2ccccc2)C1=NNc1ccccc1)\c1ccccc1 17196988 QQRAQEBHQRSEGT-BLVCXSLXSA-N 364.492 6.806 30 40 FKEB COc1ccccc1-c1cc(-c2ccc(Cl)cc2Cl)nc(N)c1C#N 19848182 BZEVNOWFHICJAQ-UHFFFAOYSA-N 370.239 5.185 30 40 FKEB O=C(C1=CS[C@](Cc2ccccc2)(c2ccccc2)S1)c1ccccc1 20068820 KKQLWAMIKXJFAG-QHCPKHFHSA-N 374.530 6.286 30 40 FKEB CCCCCCCCOc1ccc(C=O)cc1OCCCCCCCC 95731005 ZOKNJOSLKRWLJI-UHFFFAOYSA-N 362.554 6.978 30 40 FKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)COc1ccc(Cl)cc1Cl)C2 100006239 CKFQIOWNGZFDKW-GQOOZFHASA-N 370.276 5.118 30 40 FKEB Clc1ccc(SCC/N=C2/SCCN2C2CCCCC2)cc1 105338631 QEEAJPAEGUYKQX-HTXNQAPBSA-N 354.972 5.170 30 40 FKEB N#CC1(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 222935946 CKMARMLOUGLDPI-UHFFFAOYSA-N 352.437 5.012 30 40 FKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c2ccccc12 225942949 FBYKFIDLNAEFLY-UHFFFAOYSA-N 373.496 5.920 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2SC)cc1OC 409375488 LNBUWXNUZNOVRB-LNOXHEFASA-N 363.910 5.998 30 40 FKEB CCCc1cc(Nc2ccc(OC)cc2)n2c(nc3ccccc32)c1C#N 1472967 BSWJCCJFUBVGGH-UHFFFAOYSA-N 356.429 5.064 30 40 FKEB CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 4194625 ATVVNQKHAXWZSA-CQSZACIVSA-N 368.502 5.176 30 40 FKEB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC#N)c2C#N)cc1 4859466 UVOOLJARFZSYIR-UHFFFAOYSA-N 371.465 5.220 30 40 FKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(Cl)cc2Cl)c1 4922798 CZWCVEKEIPTDKQ-QPSGOUHRSA-N 367.585 6.112 30 40 FKEB N#CCCN(Cc1ccccc1)C(=O)Cc1coc2ccc3ccccc3c12 8381161 VDQKIKMDFNCMAQ-UHFFFAOYSA-N 368.436 5.071 30 40 FKEB Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1C 59679082 FTLGAQJRUXNDEA-FYJGNVAPSA-N 353.263 5.607 30 40 FKEB Cn1nc(-c2ccccc2)c(/C=N/c2ccc(F)c(Cl)c2F)c1Cl 100271427 HRGAWQNKTLJYOK-LSFURLLWSA-N 366.198 5.423 30 40 FKEB CCOc1cccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1O 102419327 GLABGUPYMCRQQS-OEAKJJBVSA-N 358.397 5.350 30 40 FKEB C=CCOc1cccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225868521 PHKOKHTVGHFZNE-UHFFFAOYSA-N 366.530 5.316 30 40 FKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(C)cc3)c2)cc1 408666443 UUPRMQIIRXSUIP-XNTDXEJSSA-N 358.437 5.479 30 40 FKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 409200716 JWKODOZFPVRAHR-AFUMVMLFSA-N 363.888 6.595 30 40 FKEB Cc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)o1 678448 CRRDAXPCCFEKBN-HSZRJFAPSA-N 357.453 6.051 30 40 FKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 714409 ABAMPLTYAXDEBF-YBFXNURJSA-N 363.394 5.493 30 40 FKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]2c3ccccc3C=CN21 2184596 WHKQZNQVYSYXJO-SDHSZQHLSA-N 373.459 5.381 30 40 FKEB CC(C)c1ccc(NC2=CC(=O)C(Nc3ccc(C(C)C)cc3)=CC2=O)cc1 3671627 NUJZIBSGEKUFGT-UHFFFAOYSA-N 374.484 5.377 30 40 FKEB CCCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4194630 NBUCYYNVKRFTFY-UHFFFAOYSA-N 368.502 5.320 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 4863794 ASXLAQBTILTZSH-BUHFOSPRSA-N 368.436 5.645 30 40 FKEB CCCOc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C 6941556 QZBWJSLFCYFTTD-RGVLZGJSSA-N 366.686 5.950 30 40 FKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 13281963 WBNYNUWENJAQAA-QFIPXVFZSA-N 371.480 5.174 30 40 FKEB CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196814 BRAIHGJLIFQKAY-JOCHJYFZSA-N 361.441 5.103 30 40 FKEB COc1ccc(-c2nc(N/N=C/c3ccc(C)cc3)sc2Cl)cc1 67321300 IRFNWCLTCOODAL-RGVLZGJSSA-N 357.866 5.227 30 40 FKEB CCCCCCCc1ccc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 100984483 JUTCIZFINAWAQM-QPPBQGQZSA-N 355.566 6.240 30 40 FKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc21 223521681 OGVVODRPKRGFCG-QFEZKATASA-N 366.936 6.809 30 40 FKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3ccccc3)o2)ccc1Cl 409181647 FHFBGXRNUFDUIU-LPYMAVHISA-N 368.820 5.223 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C 1435132 RTZNKPRCNAVNJX-YDZHTSKRSA-N 371.396 5.770 30 40 FKEB FC(F)Oc1ccc(/C=N/c2ccccc2Sc2ccccc2)cc1 3233505 FKZDBOUQIRLFTG-OEAKJJBVSA-N 355.409 6.190 30 40 FKEB COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1cccc2ccccc12 5361027 MGQYFTGIQUKURW-DARPEHSRSA-N 359.425 5.054 30 40 FKEB CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1O 6570161 QDMQLBHZUMTXCH-HYARGMPZSA-N 358.869 5.185 30 40 FKEB Cc1cccc(C(=O)/C=C/N2C=CC(=Cc3ccc([N+](=O)[O-])cc3)C=C2)c1 6924198 PVJDYLKTUREXNG-SDNWHVSQSA-N 358.397 5.026 30 40 FKEB Cc1ccc(N[P@+](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1C 9130863 MKULYEDYDYTCOG-RUZDIDTESA-N 356.474 5.178 30 40 FKEB O=C(/C=C1\Nc2ccccc2C(=O)N1c1ccccc1Cl)c1ccccc1 18042570 IVGJESFDFFSJIN-KGENOOAVSA-N 374.827 5.137 30 40 FKEB Cn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916111 AZOKMFUETPLROZ-VADJHPBDSA-N 366.549 5.415 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C)c(Cl)c2)c1C 197656200 MEVRRKOINPOHKG-AFUMVMLFSA-N 364.920 6.677 30 40 FKEB CCOC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 408742212 VCYUEYPWBUXHMO-MYYYXRDXSA-N 374.484 5.638 30 40 FKEB CCOc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 408846917 LNLYTXJXVKCLIK-STZFKDTASA-N 369.262 5.389 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(Cl)cc1 408857375 MGMIHPQAJCJQHH-MTJSOVHGSA-N 373.681 5.952 30 40 FKEB O=C(c1ccccc1-c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 575357425 CPZQVDCOENIULQ-UHFFFAOYSA-N 350.233 5.369 30 40 FKEB C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 1405832 FYBHBBKESHGKEN-OZGLUBAOSA-N 366.417 5.055 30 40 FKEB Clc1c(/C=N/c2ccc(Cl)c3cccnc23)sc2ccccc12 2279758 PIVRARDQRXQNDO-LSHDLFTRSA-N 357.265 6.507 30 40 FKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(C(C)C)c3c(c12)CCCC3 2297629 ZVCDCOMZFKPRKU-SRZZPIQSSA-N 374.506 5.172 30 40 FKEB O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1nc(Cl)c(Cl)cc1Cl 3445370 CLEAMESAWMLANJ-KDOXUUJXSA-N 371.611 5.061 30 40 FKEB Fc1ccc(/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1F 4985292 FQHATMSDWKBVTH-MFKUBSTISA-N 361.395 5.330 30 40 FKEB COc1ccc(/C=N/c2sccc2C(=O)Nc2ccc(Cl)cc2)cc1 6490614 OJXKMMPSGKQKTQ-CIAFOILYSA-N 370.861 5.413 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OC 6959090 VPGOGTYPMPQBEJ-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB CCOc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 101667622 UXSCYXYFTRPEJO-FYJGNVAPSA-N 354.247 5.752 30 40 FKEB COc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1Cl 198081393 CWQNAUBWBYDVIL-GMJSKMFWSA-N 370.924 6.130 30 40 FKEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225044861 WRSJJIUOYKZAMK-UHFFFAOYSA-N 365.498 5.345 30 40 FKEB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 225798866 GBUYJVCGADKRTC-UHFFFAOYSA-N 374.525 5.153 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 409022280 LXNMDJODHDJPON-PCLIKHOPSA-N 372.424 5.526 30 40 FKEB N#Cc1c2c(c(Nc3ccc(F)cc3)n3c1nc1ccccc13)CCCC2 941791 WSRXXOKBOGAAQK-UHFFFAOYSA-N 356.404 5.121 30 40 FKEB in-vitro C=CCOc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 2108430 BMCZDYVAHVNULV-RQOTYCFOSA-N 374.484 5.119 30 40 FKEB biogenic CCOC(=O)c1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 3764831 KOZACIGHUUWCDY-WUKNDPDISA-N 371.436 5.339 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 8695410 DJPNUCNKCQGYKE-OVCLIPMQSA-N 355.437 5.112 30 40 FKEB C=CCOc1ccc(-c2cc(C)nc(-c3ccc(OCC=C)cc3)c2)cc1 13217940 XBSCKDIRNXSUKD-UHFFFAOYSA-N 357.453 5.854 30 40 FKEB O=C(CCN1CCCCC1)/C(=C/c1ccc(Cl)cc1)c1ccccc1 16968714 WADVUPXVTWZJPV-HEHNFIMWSA-N 353.893 5.326 30 40 FKEB CC[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1 98086566 CVWQCSAQFJWZAS-CQSZACIVSA-N 351.837 5.472 30 40 FKEB COc1ccc(CN/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1OC 216059384 NYWSQXLVBLWJLD-KOEQRZSOSA-N 366.505 5.265 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)c1 225712113 YGZKLBOIVRTQAF-HXUWFJFHSA-N 354.519 5.306 30 40 FKEB Cc1cccc(Cn2c(C#N)cc(N)c2Oc2cc(C(C)C)ccc2C)c1 225886906 FWUYYTZJFNOPNO-UHFFFAOYSA-N 359.473 5.523 30 40 FKEB Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 409211536 NTWMDPHOUDSPAO-HYARGMPZSA-N 366.258 5.779 30 40 FKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(F)cc4F)ccc32)c1 409244437 CQQAWTUFHYKKLZ-ZMFRSBBQSA-N 364.370 5.858 30 40 FKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)s1 409299049 QPCMBRGZYVXAMD-UHFFFAOYSA-N 371.893 5.041 30 40 FKEB Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1C 1472985 XDJQBPRCTZFSOT-UHFFFAOYSA-N 366.468 5.598 30 40 FKEB O=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)O2 1587258 XEGIHXBUQKLJQW-UHFFFAOYSA-N 363.240 5.121 30 40 FKEB CCCCCCCCCCc1ccc(/N=C/c2ccc(OC)cc2)cc1 2391021 UYINKNWUWRCDIN-LKUDQCMESA-N 351.534 7.129 30 40 FKEB C=C(Cl)COc1cc2oc(=O)c3c(c2cc1CCCCCC)CCCC3 3234071 LBUUTMSRUYRACC-UHFFFAOYSA-N 374.908 5.926 30 40 FKEB COc1cccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1 4747042 ZFMZOLLCBSQKGS-HMMYKYKNSA-N 369.420 5.568 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OC 6959079 AWKOIMADZYDHCR-RGVLZGJSSA-N 362.267 5.224 30 40 FKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NC1CC1 33027029 CHYQSXFFNYYHBD-UHFFFAOYSA-N 371.396 5.113 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1ccc2c(c1)Cc1ccccc1-2 59461514 JCODJUGOEFXDQV-WSDLNYQXSA-N 364.242 5.477 30 40 FKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccccc3O)C2=C(O)C1 82230197 UJABLNHTCHVCFC-LJQANCHMSA-N 365.473 5.206 30 40 FKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 216848314 FXWKNRKLGVEAQA-UHFFFAOYSA-N 355.192 5.054 30 40 FKEB COC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)c1 408692453 MULLTQIVHWPZQF-OUKQBFOZSA-N 373.452 5.085 30 40 FKEB C=CCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 408736980 FNUDAPYVYYLRPS-CIAFOILYSA-N 369.877 5.474 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1ccc2nc(-c3cccc(F)c3)oc2c1 3113290 FBIQLNMKOILLQZ-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB N#Cc1ccc(-c2ccccc2)nc1Sc1ccc(Br)cc1 3128228 VINRMHOXLBGYAC-UHFFFAOYSA-N 367.271 5.534 30 40 FKEB C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1 5197560 LFCLBRDHVDMWAI-UHFFFAOYSA-N 354.837 5.366 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccccc1F 8278105 ZQJRCIBLZWOAEE-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB O=C(/C=C/Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 16400583 JMEGZHWPFKSELD-BQYQJAHWSA-N 355.590 5.017 30 40 FKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccccc1 103370409 OWHCXHQIYPMICR-DYTRJAOYSA-N 361.297 5.942 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(Cl)c2Cl)c1C 408966435 LQBNJMWFCGIROD-CFRMEGHHSA-N 371.311 6.714 30 40 FKEB N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccco1 408975828 OACMFUZDYZOOHB-AFUMVMLFSA-N 372.811 6.482 30 40 FKEB O=C1/C(=C\c2ccsc2)S/C(=N/c2ccccc2)N1C1CCCCC1 408980594 FWWHXLLQKWOEBS-KXNKKEQVSA-N 368.527 5.685 30 40 FKEB CC(C)(C)c1ccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc1 1776110924 KGKJLFZYTWMIPZ-ISLYRVAYSA-N 371.480 6.585 30 40 FKEB COc1nc(-c2ccccc2)cc(-c2ccc(Cl)c(Cl)c2)c1C#N 2171723 UKGABMWNKHSIAL-UHFFFAOYSA-N 355.224 5.603 30 40 FKEB Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 3086821 ALXILDJYWHUJPF-FOKLQQMPSA-N 350.324 5.229 30 40 FKEB C(=N/Nc1ccccc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 6276858 JRERFXZAKKDIEW-LHLOQNFPSA-N 363.464 6.602 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 8371842 XGMMKLPJCMZUQW-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 78035294 RZSHZORYUXZOST-UHFFFAOYSA-N 367.961 6.780 30 40 FKEB CCOc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1C(C)(C)C 100345763 DGMPZXYPCNKBNO-ZVHZXABRSA-N 353.506 6.271 30 40 FKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 164829869 WJNGWHAXFUVEIZ-MFKUBSTISA-N 355.441 5.402 30 40 FKEB O=[N+]([O-])c1cccc(CO/N=C/c2c3ccccc3cc3ccccc23)c1 408588011 AYAGDFYMHAYUGI-OEAKJJBVSA-N 356.381 5.452 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc4c(c3)OCO4)c2C#N)C1 409088645 GUEPGFHOPQBXBN-BMYBCIMUSA-N 366.486 5.250 30 40 FKEB CCc1c(C)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C#N 669471 HKFGSCKWJOUQOB-UHFFFAOYSA-N 360.482 5.261 30 40 FKEB Cc1[nH]cnc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 870326 WOUJYSMDJZMLKT-JOCHJYFZSA-N 357.457 5.181 30 40 FKEB Clc1cc(Cl)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1 2842462 QFDPEIIWLLTOKU-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB O=[N+]([O-])c1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 4544168 DVJOVHHKEIDKQE-XQNSMLJCSA-N 368.396 5.198 30 40 FKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1C 5551515 MQESQKMWBLJCRI-DEDYPNTBSA-N 358.466 5.348 30 40 FKEB CCCCN(CCCC)/C(=C/C(=O)c1ccccc1)C(=O)c1ccccc1 5551577 GQTCYGFHXNRVHP-ZBJSNUHESA-N 363.501 5.538 30 40 FKEB CCCCCCCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 96021542 WNSCHSNFDBDEFH-UHFFFAOYSA-N 374.532 6.010 30 40 FKEB O=C(/C=C/Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc(Cl)cc1 100245319 SLPWDFZNCKAZLT-CQBAGECTSA-N 361.832 6.564 30 40 FKEB O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@@H]1CCC[C@H]2/C1=N/Nc1ccccc1 101138584 QYOXYFORJPSJMA-JMMDCEFESA-N 374.528 5.590 30 40 FKEB COc1ccc(/N=C/c2cc(Cl)c3ccc(Cl)cc3n2)cc1OC 102457800 AYAVTBHSYOEXDL-UFFVCSGVSA-N 361.228 5.309 30 40 FKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc([C@H](C)CC)cc2)c1C 197656796 DBYBVKWGRBZHMV-WNIQNGNASA-N 358.529 6.921 30 40 FKEB COc1ccccc1/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 198149649 PDEDOICSXSAQLL-YDZHTSKRSA-N 354.881 5.731 30 40 FKEB N#Cc1cc(-c2ccc(Cl)cc2)cnc1Oc1cccc(C(F)(F)F)c1 3133097 MGJWFWNRSBRKDY-UHFFFAOYSA-N 374.749 6.085 30 40 FKEB O=C(/C=C/c1ccc(Br)s1)c1ccc(Br)cc1 4722927 DWCAOUVYCSQOSV-FNORWQNLSA-N 372.081 5.169 30 40 FKEB Cc1cccc(C)c1Nc1oc2ccccc2c1/N=C/c1ccccc1O 4750747 DJMOXBFSEDCPQN-ZVHZXABRSA-N 356.425 6.249 30 40 FKEB COc1ccc(N/C(=N\c2ccc(C)cc2)c2ccccc2Cl)cc1 6276042 GJLBABXWQMCADK-UHFFFAOYSA-N 350.849 5.847 30 40 FKEB Cc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 8371740 WDEUYARKIBVBRJ-JVWAILMASA-N 369.439 6.617 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2cn3ccccc3n2)cc1 16676156 QCNGURAQQCHBDL-MFKUBSTISA-N 363.420 5.611 30 40 FKEB CCCC/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677020 VTQJUMDFJZMYAO-XPPMVYLVSA-N 368.186 5.768 30 40 FKEB Cc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3O)nc2c1 96429698 QSRMVSDWTPVTRO-FSJBWODESA-N 358.397 5.273 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(/N=N\c2ccccc2)cc1 100248251 LLHTVCHNLOWMLO-QKOXBGIQSA-N 351.409 6.711 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 226333838 MWIRXBFWWUHLRI-UXBLZVDNSA-N 363.240 5.315 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1nc2c(s1)-c1ccccc1CC2 408722426 IUHMCQMSFYMAFB-YDZHTSKRSA-N 356.450 5.518 30 40 FKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(Br)cc1C 409100887 XDLWROWADQPWPV-GRSHGNNSSA-N 352.659 5.560 30 40 FKEB O=C(O)c1cccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)c1 409106645 OKFZRDMAJFKXMZ-NHDPSOOVSA-N 359.212 5.233 30 40 FKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C(C)(C)C)cc1 409253218 ZCHGUJKCMFHSTG-ULJHMMPZSA-N 350.506 5.734 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)CCOc1ccc(Br)cc1 1565662376 JACLFYNUAZABAB-UHFFFAOYSA-N 369.074 5.051 30 40 FKEB C=CC[n+]1c(-c2ccc(Br)cc2)csc1Nc1ccccc1 5495028 RSOGGZJDIDZVOV-UHFFFAOYSA-O 372.311 5.395 30 40 FKEB C=C(C)COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 12137893 JKAHSWBQVADEPP-UHFFFAOYSA-N 357.453 5.490 30 40 FKEB CCCCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 15228425 PYWDQYYOFSVHFM-UHFFFAOYSA-N 366.408 5.540 30 40 FKEB Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 20715203 FIHZTGJVKQVMSS-VBKZILBWSA-N 362.454 5.003 30 40 FKEB CCCCCCCCOC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 33354765 XOXIOEGQOQJSHJ-OAQYLSRUSA-N 367.489 5.061 30 40 FKEB biogenic CCCCCCCCCCCCOC(=O)C[N+](C)(C)Cc1ccccc1 100923955 WTPWJQBLXRBSIW-UHFFFAOYSA-N 362.578 5.727 30 40 FKEB CCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530616 IYAUTGRZIRZZES-MDZDMXLPSA-N 358.288 6.761 30 40 FKEB COc1ccc(-c2nc3cc(/N=C/c4ccccc4Cl)ccc3o2)cc1 711213 XSPPPNZLXILRSK-YDZHTSKRSA-N 362.816 5.907 30 40 FKEB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)sc2c1 1516441 YMRRYHPBDHPUMC-UHFFFAOYSA-N 369.449 5.396 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C#N)C1 1959699 OGMFLIZMSJZXSJ-LHXVZLOVSA-N 356.878 5.050 30 40 FKEB Cc1ccc(O)c(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 3079532 BERJVRZKQPVPJF-UUYOSTAYSA-N 360.438 5.434 30 40 FKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)s1 4482083 HBWBDGTZLBFFRG-UBKPWBPPSA-N 354.089 6.198 30 40 FKEB Cc1ccc(CSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)cc1 4620423 VBVIENIRWQLXER-UHFFFAOYSA-N 362.420 5.452 30 40 FKEB CCCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(O)c1 4921745 PXRFDBDWMDDCJK-JJIBRWJFSA-N 360.457 5.222 30 40 FKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1c[nH]c2ccccc12 5376633 OZYHZNMTIXMINA-UDWIEESQSA-N 369.449 5.213 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 5902684 SOSXRSNYCRTBFU-ZDUSSCGKSA-N 372.921 5.676 30 40 FKEB N#Cc1ccc(-c2ccc(OCc3ncc(-c4ccccc4)o3)cc2)cc1 6881605 BEEUAVQHHJYJIP-UHFFFAOYSA-N 352.393 5.459 30 40 FKEB Cc1ccc(-c2csc3ncnc(OCc4ccc(C#N)cc4)c23)cc1 12799873 VOKZILVQXKMHNQ-UHFFFAOYSA-N 357.438 5.117 30 40 FKEB N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2Cl)o1 20759820 MRHOCLYMXBNPOY-UHFFFAOYSA-N 362.241 5.207 30 40 FKEB O=C1/C(=C/c2cccs2)OCc2nc3ccccc3c(-c3ccccc3)c21 96319356 JGVNBMJOXUVSCQ-MOSHPQCFSA-N 369.445 5.717 30 40 FKEB Oc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 100031173 HJQXBVIGXUJRQP-FYJGNVAPSA-N 368.230 5.698 30 40 FKEB CCOc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 408733780 QOSYTQXAFVHXFN-CVKSISIWSA-N 370.496 5.973 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc([N+](=O)[O-])cc2)c1C 408842603 BEAAKTCTXWNZIY-UCQKPKSFSA-N 361.445 5.624 30 40 FKEB COc1ccccc1Oc1ccc(N/C(C)=C/C(=O)c2ccccc2)cc1 409108469 UJJMCHKADLOOGJ-WUKNDPDISA-N 359.425 5.686 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 409217093 RMLWXNDZYIZYPO-ZVHZXABRSA-N 365.860 5.987 30 40 FKEB CC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 1303239 VNPNPYBOBCFTDP-UHFFFAOYSA-N 350.468 5.030 30 40 FKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(C)ccc2n1 3897963 NHSPPKBLQNNXIJ-BUVRLJJBSA-N 368.440 5.060 30 40 FKEB O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 4482308 YJPAFMQAVLVJPI-RERTVAKNSA-N 370.477 5.491 30 40 FKEB C=C(C)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 4889286 INTNWXGQIPZLPT-UHFFFAOYSA-N 352.528 5.905 30 40 FKEB Clc1ccc(Oc2cccc(/C=N/Nc3nncc4ccccc34)c2)cc1 4962401 IVYKBGICSZIUKH-YDZHTSKRSA-N 374.831 5.522 30 40 FKEB COc1cc2c(cc1C)/C(=N/OC(=O)c1ccc(C(C)(C)C)cc1)CCC2 5362564 JMVKJPUXJFHAGO-HIXSDJFHSA-N 365.473 5.199 30 40 FKEB CC(C)(C#CC(c1ccccc1)c1ccccc1)[N+](C)(C)Cc1ccccc1 96194484 NROQOFHUSCTAHU-UHFFFAOYSA-N 368.544 5.877 30 40 FKEB Cc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(C)cc4)cccc23)cc1 97960678 IWLYJJQZFBBRJR-XUIWWLCJSA-N 362.476 6.958 30 40 FKEB CCCCCCCCCCCCCCCC/N=C/c1ccc2c(c1)OCO2 104364183 JVIFNTIEDXETDU-LKUDQCMESA-N 373.581 7.316 30 40 FKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 409103369 WEDHBCFCPCDMKC-XIEYBQDHSA-N 356.469 5.249 30 40 FKEB C=CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCCC3 3340972 YOKSSMAJHWEEIG-UHFFFAOYSA-N 363.482 5.493 30 40 FKEB CCN(CC)c1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 4016327 MPITWBCAAVINIU-CPFHTTCFSA-N 356.473 6.699 30 40 FKEB CCC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1ccc(F)cc1 4934478 GJQDCDQVKYGGLL-INIZCTEOSA-N 367.468 5.272 30 40 FKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(F)cccc1Cl 5211447 PTQXMIPISJQQOF-BIBXISHDSA-N 356.828 5.311 30 40 FKEB Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1cccc(C)c1O 6217644 VOTSPGOESLCCGV-YDZHTSKRSA-N 358.466 6.036 30 40 FKEB CC(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccc(Br)cc1 19228448 KAVKMSCEAWQLNE-MNJINHJASA-N 374.267 5.010 30 40 FKEB Cc1c(/C=C\C(=O)/C=C\c2sc3ccccc3c2C)sc2ccccc12 33376458 SZCQZLNFSLGHEO-XSYHWHKQSA-N 374.530 7.029 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 226258138 XQFVROLIGCDAHG-VMPITWQZSA-N 356.727 5.361 30 40 FKEB CCCOc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408603537 RPPKUVPILXDQHW-ATVHPVEESA-N 372.877 5.020 30 40 FKEB CCc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 408761196 CVNWVCRSTNWPAZ-UHFFFAOYSA-N 355.437 5.119 30 40 FKEB CC[C@H](C)N1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 408915024 OVSOIRGTOQPEDF-XRKMEXABSA-N 364.514 5.706 30 40 FKEB CCc1c(C)sc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C#N 669374 YDNDLFOXTGVHIB-UHFFFAOYSA-N 374.465 5.367 30 40 FKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(O)cc1)Nc1ccc3ccccc3c12 822852 PRJXZZPSEPNPHT-DEOSSOPVSA-N 369.464 5.855 30 40 FKEB CCCCCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N 1571711 WKBXPPHAFNUYTG-UHFFFAOYSA-N 373.667 5.656 30 40 FKEB O=[N+]([O-])c1ccc(SN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1820542 UUUYYYKDFSAOCP-UHFFFAOYSA-N 370.380 5.418 30 40 FKEB C=CCc1cccc(/C=N/c2cc(Cl)c(NC(C)=O)cc2Cl)c1O 3136458 LZOCKMGPHMLGGM-UFFVCSGVSA-N 363.244 5.137 30 40 FKEB Cc1cccc(/C=N/c2ccc(/N=C/c3cccc(C)c3)c([N+](=O)[O-])c2)c1 4119241 OWHRLWWOKIKSDJ-OZEVPFDHSA-N 357.413 5.713 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 8084797 JDAQXCXZVHRGEH-MFKUBSTISA-N 363.432 5.726 30 40 FKEB CCCCCCCCCCCCCCCCOC[C@@H](CO)OC(C)=O 8860484 QTEHGUUSIIWOOW-OAQYLSRUSA-N 358.563 5.408 30 40 FKEB biogenic N#Cc1cc(Cl)ccc1SCc1cccc(C(=O)N2CCCCC2)c1 79058153 ZATBGBJMVZRTQJ-UHFFFAOYSA-N 370.905 5.130 30 40 FKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccco1 95116646 NAZBNEFSNWPJJT-VAWYXSNFSA-N 374.827 5.682 30 40 FKEB O=C(Nc1ccc(Cl)cc1)N1CCCCC/C1=N/c1ccc(F)cc1 102945821 LILKRNXZBOZZOR-PYCFMQQDSA-N 359.832 5.617 30 40 FKEB CCCCCCCCCCCCCCCCCCN1CNC(=O)NC1 104380776 LGRGOPQVLXIRDQ-UHFFFAOYSA-N 353.595 5.778 30 40 FKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)ccc1F 197465507 XIMCAOMEWIJYQA-CVKSISIWSA-N 362.492 6.590 30 40 FKEB CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223568593 NCROMWIPLJAKOQ-JHKMYFMNSA-N 362.561 7.061 30 40 FKEB CC(C)N1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@@H](C)CC1(C)C 223568884 OLDFISVCIPCPQR-SAHIIKMKSA-N 363.549 6.004 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)cc2F)c1C 408960866 OYXAFGLJXQBTHX-DHRITJCHSA-N 352.428 5.994 30 40 FKEB N#Cc1c(SCc2ccncc2)nc2c(c1-c1cccs1)CCCC2 803823 WDVQUFYECPIHNJ-UHFFFAOYSA-N 363.511 5.248 30 40 FKEB Cc1ccc2sc(-c3ccc(/N=C/c4c(C)cc(O)cc4O)cc3)nc2c1 3083283 XLZXZZBUQGPTPX-FSJBWODESA-N 374.465 5.742 30 40 FKEB Clc1ccc2c(N/N=C/c3ccc(-c4ccccc4)cc3)ccnc2c1 5658165 GEJHRODGTLDUHP-MFKUBSTISA-N 357.844 6.001 30 40 FKEB Oc1ccc(Cl)cc1/C=N\c1cccc2c(-c3ccccc3)ccnc12 25693701 KPLLIUPNPRJSKQ-QFEZKATASA-N 358.828 6.011 30 40 FKEB Cc1nc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(-c2ccccc2)s1 95467976 ZVLWKIZDAMMUBJ-KRWDZBQOSA-N 369.449 5.157 30 40 FKEB Fc1cccc(/C=N/c2cccc3c(/N=C/c4cccc(F)c4)cccc23)c1 97960680 AGXXYWGBVKOXOZ-DPCVLPDWSA-N 370.402 6.619 30 40 FKEB CC(C)(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 97993102 ZILIYULDJAAMCQ-MSMNXAATSA-N 368.476 6.384 30 40 FKEB N#Cc1c(-c2c(F)cccc2Cl)noc1/C=C/Nc1ccc(Cl)cc1 100417833 OUHXPWSFCZDZTN-CMDGGOBGSA-N 374.202 5.742 30 40 FKEB CCCCCCCCCCOc1ccc(/C(CCCCC)=N/O)c(O)c1 100930298 AMPIFMXOZHCRNN-XTQSDGFTSA-N 363.542 6.670 30 40 FKEB C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 334157796 RSOGGZJDIDZVOV-UHFFFAOYSA-N 371.303 5.398 30 40 FKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 408739655 YMAWNSKVNMRQMI-WSDLNYQXSA-N 371.253 5.746 30 40 FKEB CCCCCCCc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2027979 FREAGWUUUKPPHJ-UHFFFAOYSA-N 365.433 5.825 30 40 FKEB C=C(C)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2333824 STFOQZKVNCJELG-UHFFFAOYSA-N 360.331 5.434 30 40 FKEB biogenic O=C(/C=C\c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 5843042 XQZXRYFHQGNJJS-WHYMJUELSA-N 354.405 5.202 30 40 FKEB CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Br 6941748 YCOBNAPDLIHBQQ-RGVLZGJSSA-N 366.686 5.950 30 40 FKEB CCCCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)O 104338782 SNTFFZGIMDNBSO-UHFFFAOYSA-O 356.615 6.409 30 40 FKEB CCCCCCCCCCOCCC(=O)OCCCCCCCCCC 104394572 DLEARKZRTOOPNN-UHFFFAOYSA-N 370.618 7.218 30 40 FKEB CC(C)(C)c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408857508 HNOHFHCTHCGSGU-ATVHPVEESA-N 354.450 5.015 30 40 FKEB Cc1ccccc1/C=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 408976924 SYABIJSBYHSPCY-FSJBWODESA-N 369.380 5.802 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C(C)(C)C)cc2)cc1OC 409375230 HNBLZVVEIYTDBV-YNNOXIHVSA-N 373.924 6.574 30 40 FKEB C#CCOc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1 2374371 FOKKYBRLKAMEDR-UHFFFAOYSA-N 365.436 5.361 30 40 FKEB C(=N/Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)\c1ccco1 4907206 MWMQJUKRKGKKGD-FYJGNVAPSA-N 361.426 5.641 30 40 FKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 5250238 XUUFMNHRLSECKJ-HYARGMPZSA-N 364.518 5.411 30 40 FKEB CC(C)=NNc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 72229795 MJDFAQOTBDVXEE-UHFFFAOYSA-N 358.854 5.010 30 40 FKEB O=C1S[C@@H](Cc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 2362801425 FMSSCNNJTWDSNJ-FQEVSTJZSA-N 358.466 5.701 30 40 FKEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(F)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1693757 LUKFSWINVWQMNF-WDMOUCOHSA-N 362.485 5.137 30 40 FKEB biogenic CCc1ccc(C(=O)/C=C/S/C(=N/C#N)SCc2ccccc2)cc1 2385040 XAQHNZFWGHUFHX-DQTRKWICSA-N 366.511 5.449 30 40 FKEB N#C[C@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 6649934 XZUMYCJVWDRHCR-LLVKDONJSA-N 361.253 5.022 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c1 8368180 HUHWPPBDAOYSJY-BUVRLJJBSA-N 358.441 5.072 30 40 FKEB CCCCCCCCCCCC[S@](=O)[C@@H]1CCCC[C@@H]1OC(C)=O 8442542 UIXJKRQTHMCKBN-DCLXLUIPSA-N 358.588 5.530 30 40 FKEB C=CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 8558653 TZJMCBSRABAEPT-UHFFFAOYSA-N 361.466 5.655 30 40 FKEB CCCCC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 12403920 FIJWGKGIXZQKOK-SHHOIMCASA-N 371.480 6.495 30 40 FKEB COC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)ccc1Cl 113866237 NRKSOLGAEHNORE-DHZHZOJOSA-N 366.800 5.283 30 40 FKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(Cl)cc3)cc21 223620877 IXBYBHQPDOVMMO-OTTIKCOKSA-N 361.316 6.466 30 40 FKEB Cc1ccc2c(-c3ccccc3)c(C(=O)/C=C/c3ccsc3)c(=O)[nH]c2c1 226818154 PXQXXPMNJKNAHR-CSKARUKUSA-N 371.461 5.461 30 40 FKEB Cc1oc(/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c(C#N)c1C 408590783 QKVDBWXILLPVHG-VULFUBBASA-N 367.452 6.079 30 40 FKEB C=CCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 408702945 KSGWBQPYHSFJMB-UHFFFAOYSA-N 369.770 5.348 30 40 FKEB CCCN1C(=O)/C(=C\c2cccc(OCC)c2)S/C1=N\c1ccccc1 408909368 UAXZSKPNKIOXJQ-VYADPRQXSA-N 366.486 5.099 30 40 FKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)Nc1ccc3ncccc3c12 709483 XRBWFJQXVAVDGZ-QFIPXVFZSA-N 360.844 5.562 30 40 FKEB C=C(Cl)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2656142 KRMWKZXSPVJVRU-UHFFFAOYSA-N 358.224 5.465 30 40 FKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(C)cc1C 2677220 UJKNTUVBTGSYMT-UHFFFAOYSA-O 355.914 5.902 30 40 FKEB COc1ccc([C@@H]2C=C(c3ccccc3)S[C@]3(S)CCCC[C@H]23)cc1 3893924 XBNFAXGTIQLGTL-TUNNFDKTSA-N 368.567 6.383 30 40 FKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cccc(C)c4O)c3)nc2c1 4713971 OXNXPJZTNMVQLU-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB C#CC1(O)CCCCCCCCC2(CCCCCCCC1)OCCO2 5500212 ILKJXTMDFHGUBU-UHFFFAOYSA-N 350.543 5.349 30 40 FKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(C)cc(Cl)c2O)c1 6263823 LFWQCOGSFXCDBD-UFFVCSGVSA-N 365.260 5.497 30 40 FKEB Fc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 9195596 ZAXZXDNIGQQCFT-LSHDLFTRSA-N 363.219 5.516 30 40 FKEB C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2ccccn2)o1 13208233 DVWVYPMTSKYKRQ-ZVHZXABRSA-N 370.433 6.476 30 40 FKEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1OC 13669366 GZYYLFUJOSRTRN-INIZCTEOSA-N 351.490 5.212 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1 44843145 QYGGJSIATBASJM-VAWYXSNFSA-N 374.278 5.437 30 40 FKEB Cc1ccc(S(O)(O)Nc2ccccc2/C(=N/O)c2ccccc2)cc1 100934548 ANCVHOYZKBSKSD-QZQOTICOSA-N 368.458 5.358 30 40 FKEB CCOP(=O)(OCC)[C@H](/N=C/c1ccc(OC)cc1)c1ccccc1 102232867 PZMKKTCBUONWCW-AZGFIHASSA-N 361.378 5.079 30 40 FKEB Cc1ccc2sc(-c3ccc(/N=C4/C=C(O)CC(C)(C)C4)cc3)nc2c1 102430538 ZOGPDJXUMCWFAX-QJOMJCCJSA-N 362.498 6.606 30 40 FKEB CCCCCCCCCCCCCCCCCCCCC(F)(F)F 103526278 HHIBANXVYZCRAG-UHFFFAOYSA-N 350.553 8.981 30 40 FKEB N#Cc1c(N=Cc2cccs2)sc(-c2ccccc2)c1-c1ccccc1 245229200 QELVXJVSYDVOKV-UHFFFAOYSA-N 370.502 6.766 30 40 FKEB c1ccc(NN=C(N=Nc2cccc3ccccc23)c2ccccc2)cc1 254815636 AXEBHHNKLXVOET-UHFFFAOYSA-N 350.425 6.397 30 40 FKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1C 409082272 ISJHWCFWKNAEGP-PDYUXYPTSA-N 353.535 5.477 30 40 FKEB O=C1C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)c2ccccc21 4551732 VRTRNTDGBBMQKZ-UHFFFAOYSA-N 369.203 5.716 30 40 FKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc2ccccc2c1 4646681 NYHLAZFBZYQBCL-OEAKJJBVSA-N 360.848 5.433 30 40 FKEB Clc1ccc(/C=N/N=C(\Nc2ccccc2)c2ccccn2)c(Cl)c1 8578166 HMNFZOLNAVJCNT-YDZHTSKRSA-N 369.255 5.281 30 40 FKEB CC(C)=CCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182690 STRYQUOSJQZXHI-XKZIYDEJSA-N 373.452 5.448 30 40 FKEB N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccco2)c1-c1ccco1 38534893 KEASNLQYGUMPFE-FSJBWODESA-N 362.772 6.075 30 40 FKEB CC[N+](C)(CC)CC#CCc1ccc2c(c1)Sc1ccccc1S2 67319241 XRXUJHRRXOEIAA-UHFFFAOYSA-N 354.564 5.335 30 40 FKEB CCCCCCCc1ccc(-c2ccc(C#N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 101431166 DDOWMPPECUXOQT-UHFFFAOYSA-N 367.405 5.555 30 40 FKEB Cc1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 169877598 GLMLVKPCIWXIET-OEAKJJBVSA-N 350.849 5.673 30 40 FKEB CCCCCCCCNC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408720997 CITQAWKCVUCNLV-UHFFFAOYSA-N 374.488 5.355 30 40 FKEB C[C@H]1CC(C)(C)Cc2c1sc(NC(=O)CCc1ccccc1)c2C#N 3227434 MIEUYGKSQAFOBB-AWEZNQCLSA-N 352.503 5.267 30 40 FKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 3659995 ZNZZJGCJMNQGDM-JZJYNLBNSA-N 363.457 5.380 30 40 FKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cc(Cl)ccc1Cl 4863690 OBAZIKGEFSFZJZ-LSHDLFTRSA-N 364.663 6.031 30 40 FKEB CN(C)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 5208020 HBSXHUNFBFPIHS-SAPNQHFASA-N 357.453 5.228 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 8371783 UZGLRGLOUOEMKP-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Clc1ccc(CN/N=C/c2cccc(OCc3ccccc3)c2)cc1 10118890 XQQSXJLNXSPCOX-BUVRLJJBSA-N 350.849 5.043 30 40 FKEB CCCCCCCCCCCCCNC(=O)CSc1nnc(C)s1 101323292 JXAWHZWBAHAICC-UHFFFAOYSA-N 371.616 5.366 30 40 FKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3cc(C)ccc3C)c2c1 408776749 YONUSKUSJLGGOP-MFKUBSTISA-N 354.453 6.211 30 40 FKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(C)c(C)c2)c1 409202993 VMSJZOXSMSOZEW-MFKUBSTISA-N 372.468 5.380 30 40 FKEB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1959679 OQODOYHBHPSIGG-XKOZXHHJSA-N 364.514 5.520 30 40 FKEB CCCCOc1ccc2ccccc2c1/C=N/Nc1ccccc1C(=O)O 11905655 HCLXBFQJGXMYFC-HZHRSRAPSA-N 362.429 5.163 30 40 FKEB CCOc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OCC 16920947 SCZNWZDWYFMCSM-XYGWBWBKSA-N 370.452 5.336 30 40 FKEB CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Cl)cc1 19894522 XOIMWJADJZUAJG-CIAFOILYSA-N 356.882 5.257 30 40 FKEB Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 20715207 FIHZTGJVKQVMSS-VLIAUNLRSA-N 362.454 5.003 30 40 FKEB CCCCCCCCNC(=S)NC(c1ccccc1)c1ccccc1 100950736 KIZIZRXOAZCJFY-UHFFFAOYSA-N 354.563 5.601 30 40 FKEB C#CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1C 408613889 WWDZTLDYTLSPKF-UHFFFAOYSA-N 364.670 5.035 30 40 FKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC 408812766 NTQZRFITLWKCRS-RGEXLXHISA-N 365.454 5.055 30 40 FKEB Cc1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 947955 YOPXICSXQLQMBP-UHFFFAOYSA-N 363.313 5.740 30 40 FKEB C=CCSC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1688225 FISRZNWYTVCJBI-UHFFFAOYSA-N 366.480 6.372 30 40 FKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C3=C(CCCC3)N4C2=C1 4026649 LNXRKALIIDIDBW-YNJKOYDBSA-N 370.496 5.278 30 40 FKEB biogenic C=C[C@@](C)(O)CC[C@@H]1[C@@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@@]21C 4348209 ATQYAMUGIFHJOX-MYHSIESUSA-N 350.543 5.268 30 40 FKEB COc1ccccc1NC(=S)N/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C 5659698 HGCQMEJITKEPIX-HVHSUZNCSA-N 371.550 5.296 30 40 FKEB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)Sc2ccccc21 5685308 TXBXDOPRDANFPZ-WQRHYEAKSA-N 372.367 6.295 30 40 FKEB CC[C@@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 7449734 WXPDBCQZSSPGSD-CMJOXMDJSA-N 363.526 6.466 30 40 FKEB Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=N/OCC(F)(F)F)c1 42750557 XLQOTVCKYJBJQX-BHGWPJFGSA-N 373.378 5.069 30 40 FKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCCC2)o1 59138159 SRWZQOGYUZHMJA-YZSQISJMSA-N 374.528 6.098 30 40 FKEB CCCCCCCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102064174 UIYJBORUBKIXID-UHFFFAOYSA-N 368.905 5.899 30 40 FKEB COc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 103752681 AWFGGWRLUHFCNS-OEAKJJBVSA-N 365.816 5.318 30 40 FKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 408691754 OUHLBIVNBNQCLL-XNTDXEJSSA-N 353.421 5.342 30 40 FKEB C=CCOc1ccc(Br)cc1CNc1ccc(C)c(Cl)c1 409121793 XXMNAIWJJIDPJV-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB O=C1/C(=C/c2ccccc2OCc2cccc(Cl)c2)Cc2ccccc21 409370615 BYBHEKKFRGABKR-XMHGGMMESA-N 360.840 5.741 30 40 FKEB O=C1/C(=C\c2c[nH]c3ccccc23)CCC/C1=C\c1c[nH]c2ccccc12 843670 RLLCDKHIGZPCSC-RFTYBOQRSA-N 352.437 5.869 30 40 FKEB C(=N/c1ccccc1/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 1087149 DNTMMXLWQYEWOH-DPCVLPDWSA-N 362.436 6.150 30 40 FKEB N#C[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 5486133 VRIGHLDDQQOJIT-FCHUYYIVSA-N 359.856 6.004 30 40 FKEB C/C(=N\OC(=O)Nc1ccccc1)c1sc(-c2ccccc2)nc1C 5921743 CXIAZXFOOFNIDC-HYARGMPZSA-N 351.431 5.091 30 40 FKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1Cl 6962270 KMSOMTCUYTWOQR-CIAFOILYSA-N 350.245 5.708 30 40 FKEB O=[N+]([O-])C(/N=N\c1ccc2ccccc2c1)=N/Nc1ccc2ccccc2c1 104111172 IQBINNRCPKWRDH-LNKNBHAJSA-N 369.384 5.737 30 40 FKEB CC[C@H](C)n1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409071319 JFVZAHXBIFOZKO-VRVUXBDFSA-N 360.383 5.472 30 40 FKEB O=[N+]([O-])c1ccc(/C(=N/Nc2ccccc2)SC#Cc2ccccc2)cc1 5099875 VQRXSTHZRWBKCI-LNVKXUELSA-N 373.437 5.111 30 40 FKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1NC(=O)c1ccccc1 8334577 MTPHUSIKILGROV-FSJBWODESA-N 369.827 5.032 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 12564692 IXAKYCLSMVPKEX-BUHFOSPRSA-N 365.436 5.139 30 40 FKEB CN(C)CCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)cc1Cl 17194741 JMKLZKURDRCDFN-LDVNPLAHSA-N 362.304 5.426 30 40 FKEB CCCCCCCCCCCCCCCC[n+]1ccn(C/C(N)=N/O)c1 100529304 LKPYYSVXBHHJIX-UHFFFAOYSA-O 365.586 5.003 30 40 FKEB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C#N 225854797 HZKZHDOELJREQM-JTSKRJEESA-N 372.509 5.051 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c(Br)c1C 1434351 FDZGYRGOPPPVAG-FBCYGCLPSA-N 373.077 5.829 30 40 FKEB CCCCCCCOc1ccc(-c2noc(-c3ccc(CC)cc3)n2)cc1 2026382 JYOSNKDEUXUHRQ-UHFFFAOYSA-N 364.489 6.315 30 40 FKEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1 72229716 YKEINRRTQOTORO-XKZIYDEJSA-N 352.463 5.055 30 40 FKEB CCCCCCCCNC(=O)c1ccc(/N=C/c2cccc(OC)c2)cc1 100025435 UKWYKNYMYXUCEA-XIEYBQDHSA-N 366.505 5.536 30 40 FKEB Fc1c(F)c(F)c(Oc2c(F)c(F)c(Cl)c(F)c2F)c(F)c1F 104147546 GHMSXJXGIHMEHA-UHFFFAOYSA-N 366.566 5.384 30 40 FKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 408737576 DOAPEJQDPRPLQC-BUVRLJJBSA-N 360.457 5.330 30 40 FKEB Cc1cc(/C=N\Nc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408994561 GRLNJPLTVLVQKH-OYKKKHCWSA-N 374.513 5.352 30 40 FKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1 409107584 WWVUVTGLVZASFQ-CIAFOILYSA-N 368.776 5.497 30 40 FKEB CC(C)OC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1 409186561 DTQSGIBCHULMNC-FBHDLOMBSA-N 366.244 5.074 30 40 FKEB N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1nc2ccccc2[nH]1 664812 LJZVPDSZDANFRZ-UHFFFAOYSA-N 374.391 5.018 30 40 FKEB Cc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 1389134 JWDZUXYAKHYJBP-HSZRJFAPSA-N 360.501 5.834 30 40 FKEB CCCCC[C@@H](CSCC)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1573417 JUSWCYBUGDBLAE-GDXASINISA-N 359.362 6.525 30 40 FKEB Cc1ccc(C)c(N/N=C(/C#N)c2nc(C)c(/N=N/c3ccccc3)s2)c1 4292807 GMUSUSPQNHSPEA-OGLDWHSRSA-N 374.473 5.824 30 40 FKEB O=C(/C(=C/c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1cccs1 5267734 YIRNRLMDDUWYNW-QBFSEMIESA-N 366.392 5.326 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@@H]2c1c(F)cccc1Cl 33747549 JZIBEWSPFWNQSX-GOSISDBHSA-N 371.843 5.096 30 40 FKEB COc1ccc(Br)cc1/C=N/Cc1ccc(Cl)cc1Cl 101818245 BFMXYDKRKXWGFD-DJKKODMXSA-N 373.077 5.384 30 40 FKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 409343963 IVIXODMOKADNDL-ONEGZZNKSA-N 365.298 5.594 30 40 FKEB Clc1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1Br 1093609 JBQPYMADUXAZAU-UDWIEESQSA-N 363.686 5.453 30 40 FKEB Clc1ccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)cc1 4036914 HFAWWSMSCNKBBA-UFFVCSGVSA-N 352.850 5.391 30 40 FKEB N#C[C@@H](c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 4770778 JEFJOTSDPTYHAQ-GOTSBHOMSA-N 355.416 5.242 30 40 FKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/N1[C@H](C)CCC[C@H]1C 5869477 QITSIAKIBCHYGU-SQYMIKHXSA-N 365.308 5.084 30 40 FKEB O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1cccc(Br)c1 6925889 FWEPRORQLLFCLY-VOTSOKGWSA-N 371.658 5.730 30 40 FKEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccco1 8314663 VOYQCWIEOWAYKK-ZMOGYAJESA-N 362.820 5.379 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=C(C)C[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118916953 FIFCOJHNNZMPQU-LONPKJINSA-N 370.533 5.396 30 40 FKEB Cc1ccc(Cc2c(N)cc(C#N)n2Cc2cccc3ccccc23)cc1 225857098 XWGXBCYDEDKSLF-UHFFFAOYSA-N 351.453 5.043 30 40 FKEB N#Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226326033 LSWFXFOVIFSNAM-UHFFFAOYSA-N 357.034 5.207 30 40 FKEB CC(C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408529589 IYLGHVUTYMEFPO-BOPFTXTBSA-N 372.877 5.019 30 40 FKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1 409078174 HWRGFRXYMQNIJV-CBFMJHRQSA-N 366.530 5.838 30 40 FKEB C=CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409229836 AGGAXATUHYVEOA-AQTBWJFISA-N 367.495 5.369 30 40 FKEB Cc1oc(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(C#N)c1C 1103866 WGJHBCQWTAEPAK-FSJBWODESA-N 372.453 5.433 30 40 FKEB c1ccc(CN2CCS/C2=N\c2ccc(Oc3ccccc3)cc2)cc1 6084993 SXTOETBYIQDCPP-FCQUAONHSA-N 360.482 5.715 30 40 FKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 83299546 XPJWEGNTIOKIAZ-LPYMAVHISA-N 371.893 5.698 30 40 FKEB C#CCn1cc(CNc2ccc(Br)c(Cl)c2)c2ccccc21 408557557 OQKAFYFTKDLZMF-UHFFFAOYSA-N 373.681 5.303 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cn3)c2C)cc1 409101334 BGZVKIJQLRSVCD-GATIEOLUSA-N 372.394 5.262 30 40 FKEB Cc1ccc(Sc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 409236914 GUYWCHWBDHEOKC-UHFFFAOYSA-N 356.446 5.609 30 40 FKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1cccc(N)c1 6407467 XKLOJKKEFMTFQB-DHRITJCHSA-N 373.485 5.085 30 40 FKEB COc1cccc(/C=N\c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1O 100370556 LDDVWSFLGVJYJN-QRVIBDJDSA-N 355.478 5.452 30 40 FKEB CC(Nc1cccc2ccccc12)=C1C(=O)CC(c2ccccc2)CC1=O 103115614 QSPMEHNRRRJYRJ-UHFFFAOYSA-N 355.437 5.242 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Br)cc1 107867893 IAJKBWJZGFACRN-CIAFOILYSA-N 361.258 5.247 30 40 FKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)c(Cl)c1 408915814 ZIIYUXZXUSDSNS-AUEPDCJTSA-N 370.811 5.366 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc3ncccc3c2)o1 408961299 MJVILFSAFLXPKU-ZMOGYAJESA-N 356.381 5.252 30 40 FKEB CCOc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409085550 DIDRIHXGRVDJBP-HAHDFKILSA-N 367.901 6.641 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl 409212664 RLFROYJPUWGYIP-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 1435128 ZBUBXFUJNICXDZ-ZMOGYAJESA-N 372.424 5.576 30 40 FKEB biogenic C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)C1 1959638 AROXDBPZQGMCNS-SECBINFHSA-N 365.285 5.304 30 40 FKEB O=C1/C(=N\c2ccccc2C(F)(F)F)c2ccccc2N1c1ccccc1 100327251 ZVWACQXPCAKLNW-PLRJNAJWSA-N 366.342 5.505 30 40 FKEB CCCCCCCCCCCCOC(=O)C[N+](C)(CCCC)CCCC 100934685 WWSFZQAVDLAUGJ-UHFFFAOYSA-N 370.642 6.497 30 40 FKEB CCN1c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc2[C@H](C)CC1(C)C 260569948 TVRLKHFCWSXVQR-NAHYFOQLSA-N 363.549 5.924 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)cc1 408760680 CYNNLIJJNYVRIY-MFKUBSTISA-N 374.484 5.502 30 40 FKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)Cc2ccccc21 409370601 AXVVEUJHAJRPIU-JLHYYAGUSA-N 355.220 6.076 30 40 FKEB Clc1ccc(-c2csc(N/N=C/c3cccs3)n2)c(Cl)c1 4039060 QYWXPZMVCMRXOL-REZTVBANSA-N 354.287 5.624 30 40 FKEB CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408913891 UYUGIRTUIPNPKM-QNQNADBQSA-N 364.514 5.822 30 40 FKEB Cc1ccc(/C=N/c2ccc(NC(=O)c3ccccc3Cl)cc2)s1 681024 OYEHGGGDBVWCJS-CIAFOILYSA-N 354.862 5.713 30 40 FKEB O=C1C(Cl)=C(Cl)C(=NSc2ccccc2)C(Cl)=C1Cl 3129881 NLJMHAOZIGPLDP-UHFFFAOYSA-N 353.057 5.096 30 40 FKEB CCC(CC)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CCCCC1 4692216 KPTYUAAXGJOWGH-CZIZESTLSA-N 360.414 5.208 30 40 FKEB N#Cc1ccc(-c2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1 13001658 MGFIFNNUWCSKNF-UHFFFAOYSA-N 352.393 5.459 30 40 FKEB COc1ccc(-c2ccc(C#N)c(SCc3ccc(F)cc3)n2)cc1 19957041 OOQOHELNHVZTBI-UHFFFAOYSA-N 350.418 5.060 30 40 FKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2Cl)cc1 44843126 VWCUMOCJRHUSCN-ZHACJKMWSA-N 364.272 5.981 30 40 FKEB Cc1cc(/C=N/c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1F 102943738 AQCZBGPAIWVJLQ-FOKLQQMPSA-N 361.247 6.291 30 40 FKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(F)cc2)cc1 102957370 UZVREONTYYGUCU-MFKUBSTISA-N 371.415 5.438 30 40 FKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](O)CCO 103641519 WUMIUYUMTVOKEH-OAQYLSRUSA-N 358.563 5.492 30 40 FKEB Cc1cc(/N=C\c2ccc(N3CCCC3)c(C)c2)ccc1Br 408847651 NVLZFCDWVBGKHH-BKUYFWCQSA-N 357.295 5.417 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 1430949 GPCRNDTWOFHUAA-OEAKJJBVSA-N 356.381 5.032 30 40 FKEB O=C1/C(=C/c2ccccc2)CC[C@@H]1C[C@@H]1CCC[C@H](C2=CCCCC2)C1=O 4026248 HWZZEAVSPCVWGA-XKTMCMNGSA-N 362.513 5.925 30 40 FKEB biogenic N#Cc1ccc(C(F)(F)F)nc1SCc1cccc(C(F)(F)F)c1 4052770 YIWHYXFGHHVRAG-UHFFFAOYSA-N 362.298 5.283 30 40 FKEB N#CCCN(C(=O)CSc1c(Cl)cccc1Cl)c1ccccc1 5038183 XMGZCVUDIGENLU-UHFFFAOYSA-N 365.285 5.032 30 40 FKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 6396808 JFGNMZJOVQUVBR-SRZZPIQSSA-N 365.260 5.578 30 40 FKEB Cc1cccc(C)c1-n1c(C)cc(/C=N\Nc2nc3ccccc3s2)c1C 16362425 MTYGTMPCVPVLAY-QRVIBDJDSA-N 374.513 5.767 30 40 FKEB Clc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1Cl 16921079 MHIBUFAKGGNVRG-FSJBWODESA-N 351.236 5.845 30 40 FKEB C=CCN(c1nc(-c2ccc(F)cc2)cs1)c1cccc2ccccc12 27299147 DXPOAIAYJIQJLF-UHFFFAOYSA-N 360.457 6.427 30 40 FKEB Cc1cc(C)c2oc(-c3cccc(/N=C\c4ccc([N+](=O)[O-])cc4)c3)nc2c1 100933734 XPZNVRBNSYVQSC-QRVIBDJDSA-N 371.396 5.770 30 40 FKEB Cc1cc(N2Cc3ccccc3C2)cc(C)c1/N=N\c1ccc(C#N)cc1 104260813 HQNJEQLZWGUWDG-QPLCGJKRSA-N 352.441 6.111 30 40 FKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Cl 408588236 ILURVZGTYOLMPG-WSDLNYQXSA-N 363.852 5.070 30 40 FKEB C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1cccn1-c1ccccc1 408933617 BOYMQMCGSMREKB-NLRVBDNBSA-N 362.432 6.641 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3Cl)c2C#N)C1 409079063 JYKSYBPHTCZODK-CHOFVFFHSA-N 356.922 6.175 30 40 FKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCCC 409110180 TXJHTYOXSTZINU-UHFFFAOYSA-N 353.506 5.832 30 40 FKEB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 409208106 AWUDZQGVMBXLMM-LPYMAVHISA-N 366.804 5.578 30 40 FKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)Nc1ccc3ccccc3c12 712143 GQPIVDBZFYLPBL-QHCPKHFHSA-N 359.856 6.167 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc1 4975188 ACERGHXZQNGUCY-KHYOSLBOSA-N 371.267 5.722 30 40 FKEB CCCc1cc(SCCc2ccccc2)n2c(nc3ccccc32)c1C#N 5453534 NULLYJDGXKPZKU-UHFFFAOYSA-N 371.509 5.646 30 40 FKEB CCCC/N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCCC 5552231 GAGIRJQEYNCFTM-ISRZJSKBSA-N 350.915 5.213 30 40 FKEB COc1ccc(OC)c(/C=N/c2ccc(CSc3ccccc3)cc2)c1 20242208 QASRBZZDECZLGP-HZHRSRAPSA-N 363.482 5.747 30 40 FKEB CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC 38158023 CENIAFYRIODGSU-UHFFFAOYSA-N 354.687 8.124 30 40 FKEB Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 59459248 ZXZAGCAVIMWERW-DHRITJCHSA-N 371.358 5.741 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 90741545 OVKSHCIVDWZSJD-LPYUCGJWSA-N 371.521 5.267 30 40 FKEB biogenic O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1ccccc1Cl 100412478 YMYIVWYCGMJDIE-HIXSDJFHSA-N 364.807 5.147 30 40 FKEB CCCCCCCCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1 138609078 LSAWSXKMAYNCHJ-UHFFFAOYSA-N 366.549 6.532 30 40 FKEB CCCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N/c1ccc(Cl)cc1 409081067 JNBKNFFAFLKNPA-YISMEOAQSA-N 370.905 5.662 30 40 FKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O 409087495 CSWBOUVKDBWUHI-XMTZNVEYSA-N 368.502 5.236 30 40 FKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1C 409092361 UZHQLAIMWHJMOJ-CBFMJHRQSA-N 366.530 5.838 30 40 FKEB Cc1cc(-c2ccc(/C=N/c3ccc4ccccc4c3)o2)c([N+](=O)[O-])cc1C 793488 TWANMRPWLLECRG-ZVHZXABRSA-N 370.408 6.375 30 40 FKEB C=C(C)Cc1c(C)c(Cl)cc(Cl)c1OC(=O)Nc1ccccc1 1707816 LAEFMXZELXYOQG-UHFFFAOYSA-N 350.245 6.031 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(C)c(C)cc4O)cc3)nc2c1 3050840 YPRBOGPBPONPGC-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/c1ccc(C#N)cc1 3356460 MKPUDAOASIEYGC-SSDVNMTOSA-N 355.228 5.110 30 40 FKEB Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4175827 KQGJYKYEGMVHGG-UFWORHAWSA-N 364.257 5.269 30 40 FKEB COc1ccc([C@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4700028 LFRZMITTYZYKCR-ZEQRLZLVSA-N 367.452 5.111 30 40 FKEB COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2ccccc2Cl)cc1 5586469 JZBQCKCMALWBEM-UHFFFAOYSA-N 366.848 5.548 30 40 FKEB C=CCN(CC=C)Cc1c(C)nc2ccc(Oc3ccccc3)cc2c1O 8572576 VMXWKGWVPGTJDC-UHFFFAOYSA-N 360.457 5.215 30 40 FKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1C 32100518 CQNOEMRAJGVHLH-ZHACJKMWSA-N 364.670 5.610 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3ccccc3)ccc1C#N)C2=O 100928247 ASRKMGFOXOKHTE-NBCNXNJRSA-N 362.498 5.106 30 40 FKEB CCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530350 RALWSCBRACYYSG-AATRIKPKSA-N 352.187 5.836 30 40 FKEB CCCCCCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 408707339 NDXVJZZGHCZNCK-UHFFFAOYSA-N 373.324 5.189 30 40 FKEB O=[N+]([O-])c1cc(/C=N\c2ccc(O)cc2)ccc1Sc1ccccc1 409116457 VCRSZYDAPKWQMB-MOSHPQCFSA-N 350.399 5.202 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1Cl 409213559 UUHTTWAFBRBAIJ-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Cc1ccccc1C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 1454241 JXUNMYIWZKHUML-HGJUWQSKSA-N 372.493 5.374 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3c(F)cccc3Cl)c2C#N)C1 6323212 MWBNLSAXMPVWLD-ZFILKEQLSA-N 374.912 6.314 30 40 FKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(C)cc1)C(=O)N3C(C)(C)C=C2C 12406335 KGEXZXXHPOCCAN-HIXSDJFHSA-N 360.457 5.057 30 40 FKEB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\c2ccc(C)cc2)cc1 16162062 FZRCSWFJBOLKNH-ONUIUJJFSA-N 365.480 6.161 30 40 FKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Cl)cc1 16450180 ZANIDUKZLRTMIJ-YDZHTSKRSA-N 356.252 6.040 30 40 FKEB CCCCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(C)cc1 101674679 UGIOTGXAMYHJRZ-UHFFFAOYSA-N 373.581 6.984 30 40 FKEB CCCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccccc1 2056149 QWFJPWOYGCCZPE-LVZFUZTISA-N 363.457 5.380 30 40 FKEB C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 2238759 YLZVZOJWCQJFPD-QHCPKHFHSA-N 372.895 6.992 30 40 FKEB CC(C)/N=C/c1c(O)ccc2oc(-c3ccccc3)c(-c3ccccc3)c12 3202610 GDTRMGRXDXQGLS-MFKUBSTISA-N 355.437 6.300 30 40 FKEB COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cc1 5446563 RSJWBEFCXYNQCM-MDWZMJQESA-N 354.352 5.346 30 40 FKEB CCc1cccc(C)c1/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82048839 DAUVWVZSGSCPBS-UHFFFAOYSA-N 364.411 5.296 30 40 FKEB Oc1c(/C=N\c2ccc(Cl)cn2)cc(Br)c2ccccc12 100457825 TUGOUMQGISEBSN-UWVJOHFNSA-N 361.626 5.107 30 40 FKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCCCCCC(=O)O 111391968 NSYDMBURIUSUDH-RTWAWAEBSA-N 354.575 6.880 30 40 FKEB CC[C@H](C)COC(=O)/C=C\c1ccc(N=Cc2ccc(OC)cc2)cc1 254402667 FKZXVOQEYXOXAD-RAHLUFBVSA-N 351.446 5.048 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 408662152 MRLXAKKWESIAKM-CXUHLZMHSA-N 358.437 5.479 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408788881 GEARYFJNJBHYHJ-PCLIKHOPSA-N 364.920 6.841 30 40 FKEB CCc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409218069 SLERIXOIMSLQLK-JLPGSUDCSA-N 358.441 5.017 30 40 FKEB CCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@H](c2ccccc2)CC1=O 721591 BQTMZXFKLODTPZ-FQEVSTJZSA-N 369.464 5.632 30 40 FKEB Cc1ccc(N2C(=O)C[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc1 1076690 PBBOIVNKMSWCQA-MRXNPFEDSA-N 365.498 5.220 30 40 FKEB CCN(CC)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 4562305 VGOQGSBGHZMGEN-NLRVBDNBSA-N 352.481 6.590 30 40 FKEB Cc1cc2c(cc1C)N[C@H](/C=C/c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 6275850 HVQGBYNCLDGQBV-GNISGLHKSA-N 372.512 5.866 30 40 FKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccncc2)sc2c1CCCC2 59199001 ICWHMGVMQKFMDK-OEAKJJBVSA-N 361.470 5.025 30 40 FKEB CCCCCCCCC(=O)c1ccc(/N=N\c2ccc(OCC)cc2)cc1 104149481 PAVVFNRQFFBTPE-IZHYLOQSSA-N 366.505 7.434 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408761181 CCRRHCIGLOYKBO-JZCUADNKSA-N 364.920 7.012 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409064628 IGPSWYXDXPLCNO-YDZHTSKRSA-N 372.320 7.204 30 40 FKEB C(=C1/CCC/C(=C\c2ccccc2)C1=NNc1ccccc1)\c1ccccc1 1624190 QQRAQEBHQRSEGT-DMSBBMSISA-N 364.492 6.806 30 40 FKEB CCC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 3066558 XXTBYJVNEXMVPM-JYQBEENSSA-N 352.261 6.059 30 40 FKEB Cc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 5618166 FLTXWDPWUOKXNL-CMDGGOBGSA-N 350.643 5.219 30 40 FKEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1Cl 5695391 MJRMYABQYPOCCE-ODCIPOBUSA-N 353.640 5.359 30 40 FKEB Nc1ccc(Br)cc1/C(=N/c1ccccc1)c1ccccc1 6222544 JABUATWODHZAHR-ZBJSNUHESA-N 351.247 5.200 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OCC 6959733 FAWLQEHUZIJIBT-FYJGNVAPSA-N 374.278 5.472 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 8116631 KVJWTCUGXKAJTD-YZSQISJMSA-N 367.448 6.178 30 40 FKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 8362969 SWHKTTGLLQDHRA-QNQNADBQSA-N 364.514 5.742 30 40 FKEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 59426398 KQNBWGMZEUARDP-MNVZFQSXSA-N 354.862 5.130 30 40 FKEB CC(=O)c1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 59501490 POABVEQEQKGJKH-VULFUBBASA-N 368.480 5.777 30 40 FKEB CCCCCCCCCCCNc1ncnc2sc3c(c12)CCCC3 96021477 AVABGNPYDJWAGE-UHFFFAOYSA-N 359.583 6.513 30 40 FKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C#N)C1 102173732 YNILPZPGEHGBTC-ANQUJSFKSA-N 370.562 5.536 30 40 FKEB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C#N 225758828 CDTQDPOUMXDRNT-UHFFFAOYSA-N 362.473 5.106 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408737727 FXYORNFXTSWPLY-ZVHZXABRSA-N 364.420 5.161 30 40 FKEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408950615 TZWKPGUGZDIQGR-UUYOSTAYSA-N 358.869 5.197 30 40 FKEB CCOc1ccc(/N=C/c2cccc(OC)c2OCc2ccccc2)cc1 680974 SCGMJXAONHKUCQ-LFVJCYFKSA-N 361.441 5.424 30 40 FKEB CCCCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C 1638331 GWCWVOROQOHSIB-UHFFFAOYSA-N 370.613 5.542 30 40 FKEB COc1ccc(Br)cc1/C=C1\CCc2c(C)cc(C)cc2C1=O 3276641 DFAGTUFAWURWPX-GXDHUFHOSA-N 371.274 5.287 30 40 FKEB C/C(=N\Nc1nc(-c2ccc(C)cc2C)cs1)c1ccc(Cl)cc1 4957177 SIJFVJKJBKDJKO-HYARGMPZSA-N 355.894 5.916 30 40 FKEB O=C1C=C(Nc2ccc(Nc3ccccc3)cc2)C[C@H](c2ccccc2)C1 5224665 UTIXZPAAJAWILV-IBGZPJMESA-N 354.453 5.873 30 40 FKEB Cc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)o1 8991336 WZMSAQKKGDFVPF-WYVZYFFYSA-N 358.393 5.296 30 40 FKEB N#Cc1c(SCCc2ccccc2)nc2c(c1C(F)(F)F)CCCC2 9422222 SERWDVVWCQVQTQ-UHFFFAOYSA-N 362.420 5.186 30 40 FKEB CCn1c2ccccc2c2cc(/C=N\N3c4ccccc4C[C@@H]3C)ccc21 72099252 TWPXERWDHZWUPC-WZGIJCTISA-N 353.469 5.600 30 40 FKEB CCCCCCCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 98045020 XQJCKRIRZRMSBW-UHFFFAOYSA-N 354.425 5.892 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3O)oc2c1 103753116 WWBPCLHEYGDACN-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB CN(C)c1ccc(/C=N\c2ccc(/C=C3\C=Cc4ccccc43)cc2)cc1 104079536 NQHDJIZJAGLCSP-LMMJYPDJSA-N 350.465 6.071 30 40 FKEB Nc1ccc(C(=O)c2ccccc2)cc1/N=C1\C=C(O)C[C@@H](c2ccco2)C1 104082996 LYZKIWPDQXMLEE-AJHWWFRHSA-N 372.424 5.185 30 40 FKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685304 XETVULSEJIJSRI-UHFFFAOYSA-N 368.864 5.061 30 40 FKEB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C#N 225856838 CFLPIDLLFQQIAK-UHFFFAOYSA-N 372.509 5.051 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1Cl 409121052 XKCMHBMPVGKMFJ-UHFFFAOYSA-N 350.245 5.016 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C)c(C)c3)o2)c(Br)c1 409245786 ZCMUHYXTFQTLJG-WSDLNYQXSA-N 368.274 6.385 30 40 FKEB COc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 997498 ZKRCFVCHIGTQBZ-ZDUSSCGKSA-N 368.502 5.032 30 40 FKEB C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C#N)C1 4496837 AFUQGHPGJQWMMI-GFCCVEGCSA-N 374.506 5.005 30 40 FKEB CCOc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2OCC)cc1 4991936 OCYCLMRWAJCARL-RPCRKUJJSA-N 372.468 5.985 30 40 FKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccccc1O 5260993 MQVUDOVJEVDBFK-XMMPIXPASA-N 369.464 5.855 30 40 FKEB Cc1cc(C)c2c(c1)/C(=N/NC(=S)Nc1cccc(Cl)c1C)CCC2 5416802 KIFWUMAALQBQBE-FCDQGJHFSA-N 371.937 5.292 30 40 FKEB N#CCCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 12551078 HJQISUGJVXPKBO-UHFFFAOYSA-N 361.392 5.109 30 40 FKEB O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 12957968 AANHPUOMJWEOKL-ZBKNUEDVSA-N 371.651 5.178 30 40 FKEB CCc1cccc(CC)c1/N=C(\C)C/C(C)=N/c1c(CC)cccc1CC 17193614 BQUVXKJCYAIGQC-BFNWXZRRSA-N 362.561 7.211 30 40 FKEB CCCCCCCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 102962866 MZXFCXCFKZTGIG-OQKWZONESA-N 369.465 5.780 30 40 FKEB Clc1cccc(/C=N\CCCCCC/N=C\c2cccc(Cl)c2)c1 104063725 LZKXUGRBACZKFG-MPKYGIEOSA-N 361.316 6.092 30 40 FKEB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\c1ccc(Br)cc1 104094432 OXTXRQYDSXUPJF-YBFXNURJSA-N 365.658 5.224 30 40 FKEB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N 225848636 PBUAIZZTNRGXJD-OAQYLSRUSA-N 360.498 5.051 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 408692858 WZSQPBOPZSGYED-NTEUORMPSA-N 373.408 5.378 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(NC(C)=O)cc3)c2C)cc1 408753939 LFPZCRWUZOAYQC-BUVRLJJBSA-N 359.473 5.366 30 40 FKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2cccc(C)c2)c1C 408759476 FRMSAVXEWDAQSQ-XKZIYDEJSA-N 363.417 5.070 30 40 FKEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)c(C)c1 409015302 ZKUCFNHTALDHBE-YDZHTSKRSA-N 366.848 5.285 30 40 FKEB O=[N+]([O-])c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409018921 XAQVSDWYTJUFOG-ODLFYWEKSA-N 374.874 6.212 30 40 FKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccccc1S 409080955 OQWYYMKNBNPXTP-ZVHZXABRSA-N 363.526 5.899 30 40 FKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCC 409117418 RBHQQXZGBSNOOH-UHFFFAOYSA-N 355.478 5.223 30 40 FKEB Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)cc1 711602 YUCSKYWJZDRDIU-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC3CCCC3)c2C#N)C1 994743 SHNDVJHOCZDQRG-OAHLLOKOSA-N 358.551 5.680 30 40 FKEB COc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 997499 ZKRCFVCHIGTQBZ-CYBMUJFWSA-N 368.502 5.032 30 40 FKEB CCCCCCCC(=O)CCCC(=O)Nc1ccc(Br)cc1 3095566 GUAZLEOITZUVAD-UHFFFAOYSA-N 368.315 5.488 30 40 FKEB COc1ccc(-c2csc(N/N=C(\C)c3ccc4ccccc4c3)n2)cc1 4836829 WETNKDSFYUYLLG-BUVRLJJBSA-N 373.481 5.808 30 40 FKEB Clc1ccc(/C=N/c2ccc(OCc3ccccc3Cl)cc2)cc1 4976350 MMTRZQVTFNKRLK-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CC1(C)CC(=O)C=C(Nc2cccc(NC3=CC(=O)CC(C)(C)C3)c2)C1 5190429 TVBXLNHJMJYARM-UHFFFAOYSA-N 352.478 5.056 30 40 FKEB Clc1ccccc1/N=C/c1nnn(-c2ccccc2)c1-c1ccccc1 5947941 FWNPVAHUFVPREU-HZHRSRAPSA-N 358.832 5.338 30 40 FKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3cccc(C(F)(F)F)c3)o2)c1 100516520 FXBFFQYVEATFCG-SSDVNMTOSA-N 360.291 5.624 30 40 FKEB CCC1=C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 102942010 MNGHRFLADCZLEV-NRFANRHFSA-N 373.496 6.103 30 40 FKEB CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408738263 SWYGLRXBZJLOGS-OEAKJJBVSA-N 352.865 5.897 30 40 FKEB Cc1ccsc1/C=N/c1cccc2c(/N=C/c3sccc3C)cccc12 712976 VEJZZLLTOYMXMZ-RNIAWFEPSA-N 374.534 7.081 30 40 FKEB CC1=C(C)SC(=C2C(=O)c3ccccc3-c3ccccc3C2=O)S1 984383 WWSRMOKTOKQVLA-UHFFFAOYSA-N 350.464 5.676 30 40 FKEB C(=N/c1ccc(-c2ccc(/N=C/c3cccs3)cc2)cc1)\c1cccs1 2831540 JEUWCBMHEQSENL-DFEHQXHXSA-N 372.518 6.978 30 40 FKEB CCCc1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 4673273 VLFYBQJXLFQWPC-DJKKODMXSA-N 368.658 5.217 30 40 FKEB COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(F)F 6047522 CBKLHVSAXJDUDS-UXBLZVDNSA-N 354.352 5.346 30 40 FKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3cccc(Cl)c3)ccc21 9048247 ZEHOFFXKYNYIHN-ODLFYWEKSA-N 368.841 5.597 30 40 FKEB O=[N+]([O-])c1ccccc1/N=N/C(Cc1ccccc1)=N\Nc1ccccc1 16979431 ANLKBRPGHYSLRU-JVVTXYFXSA-N 359.389 5.347 30 40 FKEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 21225585 QQBFAVBJOBJSKG-JOCHJYFZSA-N 362.473 5.307 30 40 FKEB biogenic,in-vitro FC(F)(F)c1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)(F)F 100047573 GSZSSHONEMLEPL-UHFFFAOYSA-N 350.102 5.762 30 40 FKEB CCCCCCCCCCCCSC1=NS(=O)(=O)c2ccccc21 1736333 XJYYCHFJYZYBRY-UHFFFAOYSA-N 367.580 5.790 30 40 FKEB CCCCCCOc1ccc(CP(=O)(OCC)OCC)cc1C#N 2179667 SCSLQTDBUUFYLQ-UHFFFAOYSA-N 353.399 5.283 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 32138867 KLJDQRDVLORRRR-OUKQBFOZSA-N 368.263 6.469 30 40 FKEB O=C(Nc1cc(F)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 102968476 NIVPPINJVMFPSV-UHFFFAOYSA-N 369.211 5.255 30 40 FKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 408737879 IRGCRUNZUZYBBR-WSDLNYQXSA-N 351.381 5.200 30 40 FKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 408915021 OVSOIRGTOQPEDF-GMWKTFMCSA-N 364.514 5.706 30 40 FKEB Oc1c(F)cccc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 1434415 QTIMFNYUMINJIE-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB O=C(C[n+]1cc2ccccc2c2ccccc21)c1ccc(-c2ccccc2)cc1 1578117 XJEJFRQQXHLPSR-UHFFFAOYSA-N 374.463 5.830 30 40 FKEB COc1ccc([C@H]2C=C(c3ccccc3)S[C@]3(S)CCCC[C@H]23)cc1 3893925 XBNFAXGTIQLGTL-KCZVDYSFSA-N 368.567 6.383 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 4975161 NXAYIWVAGRXNFI-FCEWJHQRSA-N 371.267 5.722 30 40 FKEB Cc1cc(-c2ccc(Br)cc2)n2c(nc3ccccc32)c1C#N 5986696 RCLYMZOAJLTIOJ-UHFFFAOYSA-N 362.230 5.097 30 40 FKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 6962616 SOEVMKMBTXEYDN-BUVRLJJBSA-N 365.860 6.068 30 40 FKEB COc1ccc(C(=O)/C=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 7939556 OSLMCRFUNRKJAF-PKNBQFBNSA-N 363.369 5.068 30 40 FKEB CCC(CC)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CCCCC1 17148991 KPTYUAAXGJOWGH-ZZEZOPTASA-N 360.414 5.208 30 40 FKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccccc1 33927659 BDDXJMDXNULXMX-HYARGMPZSA-N 374.461 5.604 30 40 FKEB Clc1ccc(-c2nc(N/N=C/c3cccs3)nc3ccccc23)cc1 46085336 QPIIRHXMDTZEKB-CIAFOILYSA-N 364.861 5.458 30 40 FKEB CC(C)c1ccccc1/N=C/c1cc(Br)c(Br)o1 59104904 MDXYZXTVVZCXLD-CAOOACKPSA-N 371.072 5.679 30 40 FKEB CCCCCCCCCCCCONC(=O)Nc1ccccc1Cl 100844539 CFCCVNLKCGYFDB-UHFFFAOYSA-N 354.922 6.314 30 40 FKEB O=[N+]([O-])c1ccccc1/N=N\C(Cc1ccccc1)=N/Nc1ccccc1 104138964 ANLKBRPGHYSLRU-AJVDQADQSA-N 359.389 5.347 30 40 FKEB CCCCCCCCCCCCCCCc1ccc(Cl)c(O)c1Cl 104331221 KLBGIBWLIPXCCU-UHFFFAOYSA-N 373.408 8.333 30 40 FKEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)Nc1ccccc1 408803097 LFKIMNGSFBKIHR-UCQKPKSFSA-N 364.832 5.108 30 40 FKEB Cc1cc(Br)ccc1/N=C\c1ccc(-c2ccc(C#N)cc2)o1 409022191 IDAMTIHXQUWKHK-UUYOSTAYSA-N 365.230 5.640 30 40 FKEB CC1(C)CC(=O)C2=C(c3cccs3)Nc3ccc4ccccc4c3[C@H]2C1 4619422 WIUPYSDVYGQAQW-MRXNPFEDSA-N 359.494 6.211 30 40 FKEB C[C@H](Nc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2)c1ccccc1 5454243 IOIQCDIOYPYNIE-INIZCTEOSA-N 366.468 5.411 30 40 FKEB CC(C)Oc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(Cl)c2)cc1 6616719 IGSHJIYMTCEGKP-MDZDMXLPSA-N 350.245 5.589 30 40 FKEB CCCCN(CCC#N)c1ccc(/C=C\c2ccnc3ccccc23)cc1 17162421 VZCTZXOBCIIQFH-XFXZXTDPSA-N 355.485 5.925 30 40 FKEB CCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccccc1 100233433 GZBRHIHYJLXKGG-ZFAMVZCKSA-N 356.878 5.354 30 40 FKEB Oc1c(/C=N/c2ccc(/N=N\c3ccccc3)cc2)ccc2ccccc12 100248472 IFTWYXOICQEYGR-QKOXBGIQSA-N 351.409 6.711 30 40 FKEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OC[C@@H]1CO1 100299979 MPHZZARYNGUYDH-XUVXKRRUSA-N 354.531 5.177 30 40 FKEB CCCCCCCCNC(=S)Nc1ccc2nc3ccccc3nc2c1 106088744 YLYLTCHZYBJFAB-UHFFFAOYSA-N 366.534 5.430 30 40 FKEB Clc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)c(Cl)c1 408732978 CCUKMEOAXZNZDL-WYMPLXKRSA-N 367.279 6.264 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 408737520 CQHWJACORZEPGN-LPYMAVHISA-N 367.290 5.916 30 40 FKEB C=CCOc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C 409215357 ZONLGJWPFIAASY-RGVLZGJSSA-N 364.670 5.726 30 40 FKEB Cc1cc(Cl)cc(Cl)c1/N=C/c1c2ccccc2cc2ccccc12 2070613 IZDATYDBJRZZSC-DHRITJCHSA-N 364.275 7.359 30 40 FKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 9418554 ZYRVIMRRNGRRKZ-YVLHZVERSA-N 374.795 5.047 30 40 FKEB C/C(=N\OC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 16044406 VZNVWQACUJCSNL-WSDLNYQXSA-N 374.223 5.834 30 40 FKEB C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CCOC(C)=O 31166040 AAPGEKMDLXBUBL-AEEUIGNNSA-N 364.526 5.219 30 40 FKEB biogenic,in-vitro Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408762115 JEXHVHRZKRNGDJ-WSDLNYQXSA-N 367.836 5.715 30 40 FKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3Cl)S2)cc1 408993664 XAHQCFSKZXAWHQ-ZROIWOOFSA-N 363.269 5.193 30 40 FKEB COc1ccc2ccccc2c1/C=N/c1ccc(Br)c(Cl)c1 2848727 KPMDTNPLYBCCKP-SRZZPIQSSA-N 374.665 6.015 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OC 8368488 BIORREZBKANNRW-CIAFOILYSA-N 374.278 5.390 30 40 FKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1 18067861 JETKZHDQKXXUDH-BUVRLJJBSA-N 359.425 5.282 30 40 FKEB CCCCCCCCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21 100707463 DOBNQLPHTSJFOY-UHFFFAOYSA-N 373.493 5.025 30 40 FKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)cc1 799751 YVEUIXQUTJIRNN-WSDLNYQXSA-N 352.821 5.196 30 40 FKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@@H]2C1 2563630 YFMSIVMSEGIVCP-VLBJDTNOSA-N 358.522 5.086 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 8277997 KVSKBUFQXRNTAB-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB COc1cccc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1 12756047 ZFMZOLLCBSQKGS-HKWRFOASSA-N 369.420 5.568 30 40 FKEB Cc1nc(SC[C@@H](C#N)CCC#N)c2c(-c3cccs3)csc2n1 12798095 ZKHLUPWNRGNDDI-GFCCVEGCSA-N 370.528 5.264 30 40 FKEB COC(=O)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242155 WNWBPEUDBATQSV-HZHRSRAPSA-N 361.466 5.516 30 40 FKEB N#Cc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)C1CCCCC1 408582009 KZCYHDXXOUZZSL-UHFFFAOYSA-N 373.928 5.118 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)cc1 408760313 WMWONKUIMYTBFE-MFKUBSTISA-N 374.484 5.502 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)cc1 409185290 VXVWMZUOWSFIHM-ZVHZXABRSA-N 350.437 5.691 30 40 FKEB CCCCN(CCCC)c1c(CC)c(C)c(C#N)c2nc3ccccc3n12 1505840498 FONMZJKSULZLDH-UHFFFAOYSA-N 362.521 5.637 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccc(Cl)cc1 833879 OUNMATVLBNNOMA-HSZRJFAPSA-N 359.856 6.167 30 40 FKEB Cc1ccccc1N/N=C/c1c(C)c(Cl)c(C)c(Br)c1O 5343930 VYOFCIQNUCEVAN-UFWORHAWSA-N 367.674 5.179 30 40 FKEB Cc1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 6792844 CDUKPMJFGXQEKE-FYJGNVAPSA-N 373.294 5.204 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 8371877 MUNDMRZFAQAOSQ-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB Oc1c(/C=N\c2ccc(Br)cc2Cl)ccc2ccccc12 32194198 SOHCAKFFDPHBMU-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB C=CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1Cl 409120828 UXGDAXFSLRPAOP-UHFFFAOYSA-N 356.680 6.132 30 40 FKEB COc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O 813243 OBZWKYSSUOJKNO-ZMOGYAJESA-N 372.424 5.576 30 40 FKEB CCOc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCc1ccccc1-2 2180886 JQSOWYGHPMGBFL-UHFFFAOYSA-N 360.844 5.438 30 40 FKEB CC1(C)[C@H]2CC[C@]1(C)C/C2=N\Nc1nc(-c2ccc(Cl)cc2)cs1 4746644 AMIFBGRDFUWRFX-GKDFCJLJSA-N 359.926 6.078 30 40 FKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(F)cc1 8368073 LIXFBWZORMNUDY-AFUMVMLFSA-N 363.432 5.781 30 40 FKEB CCCCOc1ccc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)cs2)cc1 11991757 YJCREHSQVXHCIL-HYARGMPZSA-N 365.502 5.165 30 40 FKEB O=C(/C(=C/c1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 32665182 SYDFTGJKPSDTMO-JXAWBTAJSA-N 358.828 5.640 30 40 FKEB Oc1ccc2ccccc2c1/C=N\c1ccc(Br)cc1Cl 96006186 WDNCHXFLINDQTP-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB Cc1ccccc1OCCCn1cc(C#N)c2cc(Br)ccc21 96237521 LFOSUMTYJPFHBU-UHFFFAOYSA-N 369.262 5.053 30 40 FKEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 225827382 HIRYOWLUBCGYLA-NRFANRHFSA-N 360.498 5.051 30 40 FKEB COc1ccc(-n2cccc2/C=N\c2ccc(Br)cc2C)cc1 408848706 SLQLLNNUMFXQEW-BKUYFWCQSA-N 369.262 5.307 30 40 FKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409085052 RDIOUKHHZRMJGO-AEOXGOBCSA-N 355.507 5.180 30 40 FKEB CC(C)(C)c1ccc(C(C)(C)C)c(/N=C/c2c(O)ccc3ccccc23)c1 2182797 QTKBXMTVLSGLRS-WGOQTCKBSA-N 359.513 6.891 30 40 FKEB COc1ccc2c(c1)oc1c(-c3ccc(Cl)cc3)c(C#N)c(N)c(C#N)c12 2317147 MGIRUVXTMXZYIY-UHFFFAOYSA-N 373.799 5.241 30 40 FKEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 5901804 WJEYWTNCQCVAAM-CQSZACIVSA-N 368.502 5.032 30 40 FKEB C=CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1Br 6962474 JKVQKVGCODBCLC-DEDYPNTBSA-N 360.251 5.163 30 40 FKEB N#Cc1ccc(O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7890290 QCCYXCUPJQMEIU-QHCPKHFHSA-N 352.393 5.043 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1 8811666 UZQFEHYKXFDWOG-ZVHZXABRSA-N 351.881 5.180 30 40 FKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182726 BQXPRJCXRJQDHA-UUYOSTAYSA-N 359.425 5.140 30 40 FKEB O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1cc2ccccc2o1 102417274 BWOUCZFNNKZPCO-OEAKJJBVSA-N 356.381 5.141 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cn1 260562919 CVBHKVWNHDEUQR-MYSNOUKZSA-N 357.885 5.216 30 40 FKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)c1 408755975 SPVVVEKBHHOPQD-XKZIYDEJSA-N 367.290 5.916 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2ccc(OCC)cc2)cc1OCC 409112108 AZYNYEYCHPKNRG-UHFFFAOYSA-N 367.489 5.389 30 40 FKEB C=CCOc1ccc(Br)cc1CNc1cccc(Cl)c1C 409117301 OBLZQAZBAWIFDM-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB O=C(O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409241047 NAQHUJJXISTHRL-QFEZKATASA-N 372.399 5.278 30 40 FKEB CCC(=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 1722378 JGZZOTUMEGZYFB-BSUWAPGYSA-N 358.522 5.086 30 40 FKEB biogenic CCC[N+]1(CC#C[C@](O)(c2ccccc2)C(C)(CC)CC)CCCCC1 2283349 IVLDLBHQZTZBKF-DEOSSOPVSA-N 356.574 5.115 30 40 FKEB Cc1ccc(O)c(/C=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1 3049855 QXKYZORXPOJUTK-FSJBWODESA-N 358.397 5.273 30 40 FKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccccc1 3133676 KYTBWAXKRRTZJM-UHFFFAOYSA-N 356.372 5.790 30 40 FKEB COc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1O 17086106 FPRFYQCQTNHDDX-LFVJCYFKSA-N 369.424 5.004 30 40 FKEB CCOc1ccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)cc1 95959914 XMNGWGHISHUSTR-JXAWBTAJSA-N 359.381 5.243 30 40 FKEB O=C1c2ccccc2-c2cc(Br)c(/N=C\c3ccccc3)cc21 100182700 JENQTJINIMTWFE-UUYOSTAYSA-N 362.226 5.411 30 40 FKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408625433 YCEATNLAIHEXIA-DHZHZOJOSA-N 370.279 6.297 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 409088757 YBGOKXVKTRHNNG-LVCXCXRVSA-N 367.474 5.430 30 40 FKEB Cc1cc(Br)cc(/C=N/c2ccccc2N2CCCCC2)c1O 6613122 IYTJBCXIQCCOCT-FYJGNVAPSA-N 373.294 5.204 30 40 FKEB CCCCCCCCCCCCc1ccc(-c2ccc(CC)cn2)cc1 97994384 GMQOMEFVZJBXRZ-UHFFFAOYSA-N 351.578 7.774 30 40 FKEB CCCCCCCC(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 102933648 GWJWDCKDGWIPOO-UHFFFAOYSA-N 356.442 5.009 30 40 FKEB C=C1C=CC(C)(C)C[C@@H](OC(=O)c2ccc(O)c(OC)c2)CC(C)=CCC1 1559556405 ORHIUFMZSVDUJM-IBGZPJMESA-N 370.489 5.585 30 40 FKEB Oc1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(O)c1 802262 XDCOZWUXZNESBT-SSDVNMTOSA-N 364.788 5.310 30 40 FKEB CCC[C@@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 1088028 QNIYKKYOYLLYEY-LLVKDONJSA-N 354.397 5.821 30 40 FKEB CC1(C)CC(=O)C2=C(c3cccs3)Nc3ccc4ccccc4c3[C@@H]2C1 4619430 WIUPYSDVYGQAQW-INIZCTEOSA-N 359.494 6.211 30 40 FKEB N#CCOc1ccc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc1 4975189 ACERGHXZQNGUCY-YZVOILCLSA-N 371.267 5.722 30 40 FKEB C[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3Cl)c2C#N)C1 6824556 DVVISLICDFCGJQ-VIFPVBQESA-N 365.285 5.304 30 40 FKEB CCSc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 10252472 SBTCDKPIFZYVJU-UHFFFAOYSA-N 370.543 5.182 30 40 FKEB CCCCCCCCCCCCCCCCCCOC(=O)c1ccco1 100309330 OEQDALBGMFPWRY-UHFFFAOYSA-N 364.570 7.698 30 40 FKEB CCCCCCCCNCc1ccccc1OCc1ccc(Cl)cc1 102562114 GMIHAVSSUOFAAQ-UHFFFAOYSA-N 359.941 6.369 30 40 FKEB COc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 408976985 UEFJJSWDJOOYET-YDZHTSKRSA-N 358.353 5.430 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C#N)C1 409079040 KITJULZJDCPICV-SQAVSUBZSA-N 361.514 6.003 30 40 FKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 1670223 MZWRIOUCMXPLKV-DEKZOMOFSA-N 356.506 5.006 30 40 FKEB in-vitro Fc1ccc(-c2ccc(/C=N/c3ccccc3Cc3ccccc3)[nH]2)cc1 3248829 JGSJAKSUICZGMX-YZSQISJMSA-N 354.428 6.162 30 40 FKEB CCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 16032278 PCPPCZZFERBVIS-UHFFFAOYSA-N 374.465 5.360 30 40 FKEB Cc1c(/C=N/Nc2ccccc2)c2ccccn2c1/C=N\Nc1ccccc1 59459720 CDVCEUHFWPNINS-QLJBRZBCSA-N 367.456 5.140 30 40 FKEB Cc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 81217796 UCXQGUYBNINUSG-FOCLMDBBSA-N 365.432 5.400 30 40 FKEB Cc1ccc(N/C=C\C(=O)c2ccc(Br)cc2)cc1Cl 100662188 FLTXWDPWUOKXNL-HJWRWDBZSA-N 350.643 5.219 30 40 FKEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 100949567 OKFNAEGLUHRECT-JJFYIABZSA-N 352.821 5.227 30 40 FKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1cccc(Cl)c1Cl 108977894 WLWOOTQWHSHTSP-JJFYIABZSA-N 351.252 5.792 30 40 FKEB C=CCOc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225868293 FALJNKAEXWSGSX-UHFFFAOYSA-N 358.532 5.069 30 40 FKEB CCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccccc1 408906872 DTTHSOYPOHEGET-KLPPEWMLSA-N 366.486 5.018 30 40 FKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408968426 YTSAKGKALZLDDQ-CVKSISIWSA-N 367.452 5.596 30 40 FKEB CC(C)c1cc(Nc2ccc(N(C)C)cc2)n2c(nc3ccccc32)c1C#N 1473001 MHZOIVDSXQKAOZ-UHFFFAOYSA-N 369.472 5.292 30 40 FKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(F)cc1 3128351 RCLWUFQUPWYZLG-UHFFFAOYSA-N 358.294 5.570 30 40 FKEB O=C(/C=N/O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 4962826 GFOPCAHBNNNKQR-PCLIKHOPSA-N 366.420 5.658 30 40 FKEB N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2ccc3ccccc3c2)cs1 5023320 LZOYSYLZKOUMRN-XHPQRKPJSA-N 372.428 5.442 30 40 FKEB CCCCSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N 6710255 SEWAPOGICCDPLO-UHFFFAOYSA-N 350.409 5.840 30 40 FKEB CN(C)c1ccc(/C=N/c2ccc(/C=C3/C=Cc4ccccc43)cc2)cc1 17418492 NQHDJIZJAGLCSP-CGGYNTGBSA-N 350.465 6.071 30 40 FKEB O=C(COc1ccc(/C=N\c2ccccc2)cc1)Nc1ccccc1Cl 408818482 VOLXDBFDVVPVGU-UCQKPKSFSA-N 364.832 5.108 30 40 FKEB CC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 409093862 BCJBXZFKIWSRBP-BHGWPJFGSA-N 373.334 5.009 30 40 FKEB CCN(CC)c1ccc(/C=C2\CCC/C(=C(/O)C(F)(F)F)C2=O)cc1 409346014 MDITVDYNGVNIQT-IMOQJAIBSA-N 353.384 5.044 30 40 FKEB N#Cc1c(SCc2cccs2)nc(-c2ccccn2)c2c1CCCC2 1070239 KTXAMSCHLHMRLH-UHFFFAOYSA-N 363.511 5.248 30 40 FKEB O=C(/C=C/Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1 4592210 IVMPBABGZPFHCJ-BQYQJAHWSA-N 371.061 5.564 30 40 FKEB CCc1cc2c(cc1C(=O)/C=C/c1cccs1)C(C)(C)CCC2(C)C 5197335 LFZMOFCOCVBLRY-MDZDMXLPSA-N 352.543 6.556 30 40 FKEB CCOc1ccc2c(c1)S/C(=C/c1cccc(Oc3ccccc3)c1)C2=O 6657161 CQTGXWAVPYEGCY-HYARGMPZSA-N 374.461 6.207 30 40 FKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCCC 409119855 UNWGXCAEGHKOQU-UHFFFAOYSA-N 373.924 6.177 30 40 FKEB CN1c2ccccc2Sc2cc(C=C3C(=O)c4ccccc4C3=O)ccc21 988640 SCXPZLJLGCMXGO-UHFFFAOYSA-N 369.445 5.382 30 40 FKEB CCC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 3066556 XXTBYJVNEXMVPM-OHBSIKEHSA-N 352.261 6.059 30 40 FKEB C=CCOc1ccccc1/C=C/[C@@]12N=C(O)CCN1c1ccccc1C2(C)C 3999977 RKCDDZGORIEKDI-DQRYEYLNSA-N 374.484 5.119 30 40 FKEB biogenic C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1ccc2c(c1)OCO2 4672499 GWBCZGQVDUGLTG-BUVRLJJBSA-N 367.408 5.019 30 40 FKEB C=CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Br 8277865 BIDNRHWTDJNFGR-RGVLZGJSSA-N 364.670 5.726 30 40 FKEB Cc1nc2cc(/N=C/c3ccc(Cl)cc3)ccc2n1Cc1ccccc1 18069389 VOAJKRKWMWBAAH-ZVHZXABRSA-N 359.860 5.797 30 40 FKEB F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95676619 UGHJWZHBCXGSAY-OWOJBTEDSA-N 350.049 5.168 30 40 FKEB in-vitro CCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1 100022514 HQVTYOXUVQQMLD-UHFFFAOYSA-N 354.490 6.571 30 40 FKEB in-vitro C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 216277982 YBQCJIAMTXGNLJ-QFIPXVFZSA-N 361.441 5.201 30 40 FKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(F)c1 408708189 VRIRJGNSOVZVCE-UHFFFAOYSA-N 364.505 5.110 30 40 FKEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)cc1 408738722 NEFOGNYMQLSKDA-LPYMAVHISA-N 367.290 5.916 30 40 FKEB CCCCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409094649 FIMYVFONSSJNGU-JJIBRWJFSA-N 366.505 5.397 30 40 FKEB CC(C)c1ccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 912740 BXTRKESTWQEDCV-NRFANRHFSA-N 369.464 5.112 30 40 FKEB CCCCCOc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1 2357786 FPNJTABJICDEAD-QNGOZBTKSA-N 366.490 5.059 30 40 FKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1 3637032 RQLOBLXDXKDHLN-UHFFFAOYSA-N 352.381 5.150 30 40 FKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2ccccc2o1 6562722 FYTAGGWDDDDYBG-UHFFFAOYSA-N 365.433 5.309 30 40 FKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 8372982 BPJKXIQYTHKLHC-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccccc1 8391919 XHRIUYUXMAIVKJ-OAHLLOKOSA-N 369.465 5.036 30 40 FKEB CCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9195981 UCCLUPGQNGDEOT-SSDVNMTOSA-N 360.288 5.400 30 40 FKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cc2C)o1 28237163 KMTILTMVHSMZPX-UHFFFAOYSA-N 361.441 5.456 30 40 FKEB CC(C)=NNc1nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2s1 40542407 XLNMBEZWTKEZGB-UHFFFAOYSA-N 356.838 5.566 30 40 FKEB Cc1cc(/N=C/c2ccccc2O)ccc1NC(=O)c1cc2ccccc2o1 100301440 FIDAUUQMYVPXBE-ZVHZXABRSA-N 370.408 5.450 30 40 FKEB Oc1ccccc1/C=N/c1ccc(Cl)c(/N=C/c2ccccc2O)c1 102934612 HXGJWDDOXYATQH-FWSOMWAYSA-N 350.805 5.252 30 40 FKEB Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253505195 AZOKMFUETPLROZ-RWGUDKRUSA-N 366.549 5.415 30 40 FKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cn1 260565060 GRGJAPCHFFKEQJ-ZKDCOOFMSA-N 365.521 5.650 30 40 FKEB COc1ccc2ccccc2c1-c1c(-c2ccccc2)c(C)[nH]c(=N)c1C#N 408980699 SKAFJLFIOMDNFV-UHFFFAOYSA-N 365.436 5.170 30 40 FKEB CCCCC/C(=N/OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 4577569 FIJWGKGIXZQKOK-LCUIJRPUSA-N 371.480 6.495 30 40 FKEB C(=N\c1ccc(-c2ccc(/N=C\c3ccncc3)cc2)cc1)\c1ccncc1 5579712 IMEIAEIXOFVETH-HJTNQMAYSA-N 362.436 5.645 30 40 FKEB Cc1cccc(C)c1NC(=S)N(CCC#N)[C@@H]1C[C@H](C)CC(C)(C)C1 6491134 ZPWZPXUNDXIEIK-MAUKXSAKSA-N 357.567 5.431 30 40 FKEB CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)OCCCC 100298164 TWYGFFMOKNIFGX-SFTDATJTSA-N 372.590 5.533 30 40 FKEB CCCCCCCCOCCOC[C@@H](O)COCCCCCCCC 100923940 VHDXJQZUGOMCLK-NRFANRHFSA-N 360.579 5.118 30 40 FKEB CCCCCCCCCCCCCCCCCc1ccc(C#N)c(C#N)c1 101463221 AYNMZUFCRZRMQG-UHFFFAOYSA-N 366.593 7.844 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(C[C@@H]2CO2)CCOCC1 104177269 PNSPSHVFJRJSTO-HSZRJFAPSA-N 368.626 5.714 30 40 FKEB COc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1Cl 198075125 IIUMWVHISVJLPL-WQEJZQBCSA-N 356.897 5.821 30 40 FKEB FC(F)(F)C(F)(F)C(F)(F)CCOc1ccccc1Br 1565662378 PDQBMJNSBBBXJD-UHFFFAOYSA-N 369.074 5.051 30 40 FKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1 1079549 YXRBZFPXBRDLCH-KRWDZBQOSA-N 369.823 5.007 30 40 FKEB N#Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Sc1ccccc1 1383085 OMIPDBMWRTVSST-UHFFFAOYSA-N 364.857 5.615 30 40 FKEB COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1883460 AANLPIMEZGYFJK-OEAKJJBVSA-N 358.466 6.031 30 40 FKEB N#Cc1c(SCc2ccc(F)cc2)nc2c(c1-c1ccccc1)CCC2 2479352 INCVSECMFQQTGQ-UHFFFAOYSA-N 360.457 5.540 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1cccc2c(-c3ccccc3)ccnc12 3122960 KPLLIUPNPRJSKQ-AFUMVMLFSA-N 358.828 6.011 30 40 FKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1 3194133 LVCXPMTZHYJAGW-FYJGNVAPSA-N 351.793 5.742 30 40 FKEB Cc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 4342339 ZTQSOWNBOGPZEX-VXLYETTFSA-N 372.291 5.327 30 40 FKEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1C[C@@H](C)C[C@H](C)C1 4981667 YNDJUXONCOBARF-IRXDYDNUSA-N 374.532 5.493 30 40 FKEB CSc1nc(N[C@H](C)c2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 5607404 WZYNQGBIPAIJMA-OAHLLOKOSA-N 360.486 5.219 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 16780786 BHMXRKCNHHZHRI-OEAKJJBVSA-N 370.412 5.044 30 40 FKEB Cc1cc(Br)ccc1/N=C/c1ccc(N2CCCC2)c(C)c1 59104893 CFYQFOSQKYJUSZ-FYJGNVAPSA-N 357.295 5.417 30 40 FKEB CCCCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl 102819740 AZPYPFOPLUFRSB-HNNXBMFYSA-N 373.884 5.184 30 40 FKEB CCCCCCCOC(=O)c1sc2nc(CC)c3c(c2c1N)CCCC3 103016295 APOLLLXPKDOYFE-UHFFFAOYSA-N 374.550 5.447 30 40 FKEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916103 OEFVYGZGLIGBOP-CCOQMJOKSA-N 366.549 5.415 30 40 FKEB O=[N+]([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1ccc(/C=N/O)o1 226302737 OMUXRBQNAKZIST-WSDLNYQXSA-N 366.417 5.131 30 40 FKEB C#CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl 408605950 HTNBUFXHQRCFGU-UHFFFAOYSA-N 358.627 5.410 30 40 FKEB O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)c2ccccc21 636706 ZJCJOQOKGNFTFP-UHFFFAOYSA-N 369.203 5.716 30 40 FKEB Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1 1222327 KRCUHXBIFHJHTF-UHFFFAOYSA-N 352.846 5.043 30 40 FKEB CCCCCCCCCNC[C@H](O)c1cc2c(c3ccccc13)CCCC2 1706399 DXYRUPUYJUZIMF-VWLOTQADSA-N 367.577 6.092 30 40 FKEB Cc1ccc2c(c1)/C(=N/c1ccc3c(c1)Cc1ccccc1-3)c1cccnc1-2 2193538 KLPNPNOIPOOVCG-BYCLXTJYSA-N 358.444 6.111 30 40 FKEB N#Cc1c(SCc2ccccc2)nc(-c2cccs2)c2c1CCCC2 2308230 KKAVBCSRIAOHNG-UHFFFAOYSA-N 362.523 5.853 30 40 FKEB CC(C)c1ccc(NC(=S)NN=C(c2ccccc2)c2ccccc2)cc1 5560726 FMLONVRRKPFPMF-UHFFFAOYSA-N 373.525 5.549 30 40 FKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 8116564 RSBNNOVZIKFIJJ-OEAKJJBVSA-N 351.833 5.678 30 40 FKEB C=CCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\c1ccccc1 27299011 APLOFRNAKFSVLI-UZYVYHOESA-N 361.297 5.942 30 40 FKEB CC[C@@H](C(=O)/C=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 36610869 MDGSZSJIRYOQHA-KFGRMSHRSA-N 356.506 5.299 30 40 FKEB O=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1c1ccccc1 100327241 GUOCQDADKJJVBQ-NMWGTECJSA-N 367.235 5.793 30 40 FKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\S/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100661908 HFXCDODISUHAAO-IIUSHARDSA-N 358.547 5.538 30 40 FKEB COc1cccc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O 102419330 IERNENHACMNSJG-YDZHTSKRSA-N 358.397 5.268 30 40 FKEB C=C(C)COc1cccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 219790735 ZXBHNCXHGBHQGF-JOCHJYFZSA-N 367.489 5.167 30 40 FKEB COc1ccc2ccccc2c1/C=N/c1nc2c(s1)-c1ccccc1CC2 408722630 MOIMGEGZFNALCD-ZVHZXABRSA-N 370.477 5.821 30 40 FKEB N#Cc1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4)s3)sc2c1 3851633 DRVZFGTUYSUPJQ-UHFFFAOYSA-N 362.435 5.262 30 40 FKEB biogenic N#CCCN(C(=O)CSc1ccc2ccccc2c1)c1ccccc1F 4886501 ZYRAPRUXHQBDTE-UHFFFAOYSA-N 364.445 5.018 30 40 FKEB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 6333251 FYDCQGBATILVAY-UHFFFAOYSA-N 361.470 5.232 30 40 FKEB C=CCN1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 6761179 HFDXUBFYFSKBGM-XMMPIXPASA-N 368.480 5.775 30 40 FKEB C#CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC 6959289 CHXWPIXARZDRSN-WSDLNYQXSA-N 362.256 5.463 30 40 FKEB Cc1ccccc1Cn1cc(/C=N/c2oc(C)c(C)c2C#N)c2ccccc21 6968850 JTYSCLKPYGDVJJ-LGJNPRDNSA-N 367.452 5.830 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1Cl 409214824 YKASBGMKPGYFJT-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB C[C@@H]1C[C@@H]1c1nc(C#N)c(NCc2ccc(Oc3ccc(F)cc3)cc2)o1 1775976582 RZWQSAVYUHONOX-ACJLOTCBSA-N 363.392 5.213 30 40 FKEB N#Cc1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCC2 707180 VPNACIKOBYAJKG-UHFFFAOYSA-N 358.875 5.229 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])s3)c2C#N)C1 1445214 LKOVWLRSDHSYQD-JZOCJUILSA-N 373.503 5.491 30 40 FKEB C#CCOc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 6295427 VMDRXPGMTKUVOU-UHFFFAOYSA-N 356.252 5.771 30 40 FKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1cccc(F)c1 8278093 IMHMXANIXSYRKR-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB Cc1ccccc1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 8570802 WFPFCVYYEOJAMW-JVWAILMASA-N 369.439 6.617 30 40 FKEB Cc1s/c(=N\N=C\c2ccccc2C(F)(F)F)[nH]c1-c1ccccc1 59193907 AWWWXUKKFHPSNT-SSDVNMTOSA-N 361.392 5.005 30 40 FKEB Cn1nc(-c2ccccc2)c(/C=N/O)c1Sc1ccc(C(C)(C)C)cc1 100271476 WHEVGVRBVJOMEN-HYARGMPZSA-N 365.502 5.344 30 40 FKEB CCCCCCCCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 104357841 YYTIOGCYEJOABV-HSZRJFAPSA-N 373.968 6.236 30 40 FKEB CCCCCCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 112191168 GRIRTABRGWAZLM-UHFFFAOYSA-N 372.745 5.286 30 40 FKEB Oc1ccc(N=Nc2nonc2-c2ccccc2)cc1C=Nc1ccccc1 245295529 GUWQIBFZRPWQSF-UHFFFAOYSA-N 369.384 5.608 30 40 FKEB Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1C 408541759 FSKNFROOKVOLLE-WYMPLXKRSA-N 372.424 5.348 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 408758049 GDEMHPBYJRVVML-ZVHZXABRSA-N 366.892 6.069 30 40 FKEB O=C1C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)c2ccccc21 408908300 BMEMTCRLLFMLQD-UHFFFAOYSA-N 374.823 5.382 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 408962211 XJVSXEYBVKHFDM-HKOYGPOVSA-N 364.489 5.384 30 40 FKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(Oc2ccccc2Cl)cc1 409360771 PVPNKOIESJKADY-BUHFOSPRSA-N 367.832 6.232 30 40 FKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccc3ncccc3c12 709484 XRBWFJQXVAVDGZ-JOCHJYFZSA-N 360.844 5.562 30 40 FKEB C=C(Cl)CSc1nc2ccccc2c(=O)n1[C@H]1CCC[C@H](C)[C@@H]1C 3421742 HBJNHROHBMWODL-JDFRZJQESA-N 362.926 5.238 30 40 FKEB O=C(/C=C/c1ccc(F)cc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 4726081 ZWRZNDAJWCTKKD-NTCAYCPXSA-N 369.395 5.230 30 40 FKEB N#Cc1ccsc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 6589571 YGTUVPQUBYXZKG-KRWDZBQOSA-N 350.468 5.092 30 40 FKEB COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Cl)c2O)cc1 6736431 VQRJZDBCNVDDKY-OEAKJJBVSA-N 351.833 5.396 30 40 FKEB C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 14400507 TUMQCKDAJHDGLI-UHFFFAOYSA-N 369.770 5.348 30 40 FKEB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 16348458 QDAHUQIOQGDAPY-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB CCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@H]1CCCO1 100295151 VAZJSOGWHFPJDB-YOFSQIOKSA-N 354.531 5.177 30 40 FKEB CCCCCCCCCCCC(=O)c1cc(C)cc(Br)c1O 100931362 DAZLSPYVQZTUEZ-UHFFFAOYSA-N 369.343 6.567 30 40 FKEB C[C@]12CC3CC(C(=O)Nc4sc5c(c4C#N)CCCC5)(C1)C[C@](C)(C3)C2 102572127 COORKWFYMDDIMN-BZTYOFRGSA-N 368.546 5.434 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCO 104849209 PHDVPEOLXYBNJY-MDZDMXLPSA-N 370.574 5.576 30 40 FKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853820 XQFBBDBYBDKZAY-KSEXSDGBSA-N 370.811 5.335 30 40 FKEB Cc1sc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c(C#N)c1C 1088177 ODHSUPJFYIUPJT-UHFFFAOYSA-N 374.509 5.277 30 40 FKEB O=C(/C=C/S/C=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2581938 XLUQVGDEEDPSRY-WGDLNXRISA-N 363.265 5.820 30 40 FKEB O=C(O/N=C1\CCCSc2ccccc21)c1ccc(Cl)c(Cl)c1 4419907 CLWOIBLEYMHXKG-HMMYKYKNSA-N 366.269 5.440 30 40 FKEB COc1ccc2cc(/C(C)=N/Nc3ccc(Cl)c(C(=O)O)c3)ccc2c1 4923275 QYJQVCGMBGJEAV-WSDLNYQXSA-N 368.820 5.036 30 40 FKEB O=C(/C=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 5765390 SRZIWBALUGPBHT-PFONDFGASA-N 368.392 5.639 30 40 FKEB Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 25076013 QYBWEQCDANOCJZ-HXUWFJFHSA-N 363.501 5.809 30 40 FKEB CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 100224254 RULIEIAITWVVKW-HYARGMPZSA-N 352.821 5.058 30 40 FKEB CCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O 102071233 ICBKTKTWBGPHAY-UHFFFAOYSA-N 355.522 6.196 30 40 FKEB N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1cccc2ccccc12 225882546 UZXONHZLDPHPSM-UHFFFAOYSA-N 373.843 5.589 30 40 FKEB C=CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl 408613733 ZUTTWISTMCNNQY-UHFFFAOYSA-N 360.643 5.963 30 40 FKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408791260 XUBQIMUEZUQGRN-LPYMAVHISA-N 354.906 6.220 30 40 FKEB Cc1ccc(-n2c(SCCCCC#N)nnc2-c2ccccc2)cc1C 3441400 XGRVWDRMMIRXMD-UHFFFAOYSA-N 362.502 5.337 30 40 FKEB CCCC(/N=N/c1ccc([N+](=O)[O-])cc1)=N\Nc1nc2ccccc2s1 4524589 JPBHKAGQIFMHRV-WBRURFBUSA-N 368.422 5.514 30 40 FKEB Cc1sccc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)(C)C)c1 5957658 CUAFAPWAOHPDIJ-GRSHGNNSSA-N 366.939 5.647 30 40 FKEB COc1cc(C)c(N/C(S)=N\c2cccc(Cl)c2C)cc1OC 8684912 BPVGEBNNIMNPCP-UHFFFAOYSA-N 350.871 5.003 30 40 FKEB C/C(=N\N=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 17282298 FETXCABWHUSPHQ-SGWCAAJKSA-N 374.487 6.615 30 40 FKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOC 104109877 RIPWDAGRSRVRBJ-ZHACJKMWSA-N 353.591 6.177 30 40 FKEB CCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCCC1 104384263 VADPGEGXKQJSBO-KTKRTIGZSA-N 363.630 7.427 30 40 FKEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222924275 IANKAXVGMVFORK-OAQYLSRUSA-N 367.489 5.345 30 40 FKEB C=CCc1cc(C#N)cc(OCC)c1OCc1ccc(Br)cc1 226364327 YCDHJOIKTFEVNM-UHFFFAOYSA-N 372.262 5.027 30 40 FKEB CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 245241693 MZKXTJQQWVFFST-UHFFFAOYSA-N 363.892 5.039 30 40 FKEB COc1ccccc1/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C 260567320 KJAUHBJZAPWCJK-BFTFCADCSA-N 364.533 6.255 30 40 FKEB CCn1c(N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc21 408692483 NKJLWIQEEISPQT-LFVJCYFKSA-N 370.456 5.081 30 40 FKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1 408760301 WHVXJGRVJMDPJH-MYYYXRDXSA-N 358.872 6.651 30 40 FKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(Cl)c(Cl)c2)o1 408963421 ZHWXAEDTJDOJRC-YVNNLAQVSA-N 374.223 6.011 30 40 FKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 799762 LWVFXPXVEWJYMB-ZVHZXABRSA-N 370.412 5.301 30 40 FKEB CCCCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 1773959 DDPJQMPWGGYLRI-UNMCSNQZSA-N 356.554 5.270 30 40 FKEB biogenic Clc1ccc(-c2nc(N/N=C/c3ccccc3)c3ccccc3n2)cc1 4826185 VSLKLGQZEUFRTH-OEAKJJBVSA-N 358.832 5.396 30 40 FKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cccc([N+](=O)[O-])c1 5728631 VYCPEQOQNULGSC-LPYMAVHISA-N 356.385 5.197 30 40 FKEB CCCC(C)(C)[C@H]1CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9316498 CUDHLWXCRNZIFF-PTJLRZKYSA-N 362.430 5.287 30 40 FKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)cc2)n1 9423476 HMTBNXCVNYHIJF-UHFFFAOYSA-N 368.399 5.701 30 40 FKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2nc(C)ccc32)cc1 12462682 FDIKFPKROSSGGO-JOCHJYFZSA-N 370.452 5.116 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 98086929 PTAYVHJBFQSVMR-AFUMVMLFSA-N 365.392 5.499 30 40 FKEB C=CCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 230513864 FJRCMNJZLRNCND-UHFFFAOYSA-N 353.465 6.300 30 40 FKEB in-vitro CC(=O)N(C[C@@H](C)/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1 1306835 KKWWBKVWSMWNHK-LJQANCHMSA-N 371.484 5.518 30 40 FKEB N#C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1666847 WRMHSUWVRRMXIN-FCHUYYIVSA-N 370.408 5.259 30 40 FKEB Cn1c(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 2269424 JXFCADDENSEBAR-ZVHZXABRSA-N 363.505 5.625 30 40 FKEB Cc1cc(NC23CC4CC(CC(C4)C2)C3)n2c(nc3ccccc32)c1C#N 4595355 ZSGWNCRJQBDOBW-UHFFFAOYSA-N 356.473 5.048 30 40 FKEB O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccco1 23605766 FMMFVDYJIKHUKY-OEAKJJBVSA-N 356.381 5.141 30 40 FKEB CCCCCCCCCCc1ccc(CCCCCCCCCC)cc1 81165788 LVYZEGXWMAKHQM-UHFFFAOYSA-N 358.654 9.053 30 40 FKEB CCCCCCCCCCCCCCCCCC/N=C\c1ccccc1O 103610587 DRNHFYUTXHIEFC-RWEWTDSWSA-N 373.625 8.073 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc2nn(-c3ccccc3)nc2c1 103751685 FOZJAAFYSSGIFP-BUVRLJJBSA-N 364.408 5.030 30 40 FKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2C)c1C 166831031 IWMQGIBHPDVUMJ-AFUMVMLFSA-N 374.484 5.722 30 40 FKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1 408586280 MMTMHLULNFUXJS-UHFFFAOYSA-N 355.478 5.687 30 40 FKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1C1CCCC1 408778803 LHJHUPMPCUQFKL-UYRXBGFRSA-N 365.502 5.112 30 40 FKEB Cc1cc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)ccc1F 408784170 TWLMTLNUMPSCCU-WSDLNYQXSA-N 351.381 5.200 30 40 FKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408785727 YPGBMVCLBBUZEB-FOKLQQMPSA-N 361.247 6.291 30 40 FKEB Cc1cccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 409242346 RAMHQHVDVGNMFT-MTJSOVHGSA-N 354.247 6.077 30 40 FKEB CCn1c2ccccc2c2cc(/C=N/c3cc([N+](=O)[O-])ccc3OC)ccc21 727771 BMQPIKTWZVHOSM-OEAKJJBVSA-N 373.412 5.482 30 40 FKEB COc1ccc([C@H](C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1731818 RZCQICLSLHHLOK-PKTZIBPZSA-N 355.437 5.359 30 40 FKEB O=C(/C(=N\Nc1ccccc1)Sc1ccc(Cl)cc1)c1cccs1 2075454 IUNSKTLFXXMCIZ-DYTRJAOYSA-N 372.902 5.802 30 40 FKEB N#CCCCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 4246802 SNJQQUDBEKBUPN-UHFFFAOYSA-N 372.856 5.123 30 40 FKEB Cc1ccccc1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 5756130 FNNXCDHNNMYDIO-YZSQISJMSA-N 351.449 6.478 30 40 FKEB O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 6896791 NDFKLCUUFAIHMS-BUHFOSPRSA-N 367.370 6.181 30 40 FKEB CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 6942133 CVJXJBVSSANYGV-JJIBRWJFSA-N 361.441 6.027 30 40 FKEB CCCCC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 13468184 BIMIEBMZQZLFKK-ZKDDFZEFSA-N 350.506 5.831 30 40 FKEB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)oc2c1 16348699 QZBYCAJLOPPPQH-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB COc1cc(C)c(/C=N/N(c2ccccc2)c2ccccc2)cc1C(C)C 59161029 GPMYOVQSXPLDBB-KOEQRZSOSA-N 358.485 6.299 30 40 FKEB CCOc1cccc(/C=N\c2cccc(-c3nc4ccccc4o3)c2)c1O 100505547 PIKCXAGVBKQXQM-UCQKPKSFSA-N 358.397 5.350 30 40 FKEB c1ccc(/N=C(C(=N/c2ccccc2)\c2ccccc2)/c2ccccc2)cc1 103644156 YBGSMMQIEMVNHB-LBXGSASVSA-N 360.460 6.628 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)C/C2=N\Nc1nc(-c2ccc(Cl)cc2)cs1 104057380 AMIFBGRDFUWRFX-XOCPLGEBSA-N 359.926 6.078 30 40 FKEB Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)c(C)c1 408857116 KXLYYQUORIXUPV-BKUYFWCQSA-N 353.263 5.607 30 40 FKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(C)cc1 409211799 OPSDYUUKDZFCJR-MFKUBSTISA-N 359.469 5.950 30 40 FKEB CCC[N+](/C=C/C(=O)c1ccc(Br)cc1)(CCC)CCC 2557628 HQWWYJZEALWVPL-RVDMUPIBSA-N 353.324 5.192 30 40 FKEB CCc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 4748851 LYNQXIBIQAXNJH-XMMPIXPASA-N 369.489 6.116 30 40 FKEB C[C@H](CC(=O)c1ccccc1)C/C(=N/Nc1ccccc1)c1ccccc1 4762528 WZDHUHRGRZOZDD-HGFVNXKRSA-N 356.469 5.802 30 40 FKEB C=CCN(CC=C)Cc1c(C)nc2ccc(OCc3ccccc3)cc2c1O 8717241 FVAUBGVZRXHOKE-UHFFFAOYSA-N 374.484 5.002 30 40 FKEB CC(=O)Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242174 VBMAKPQCVYSJST-WGOQTCKBSA-N 373.496 5.830 30 40 FKEB N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@H]1c1ccccc1F 84559980 WJVRRBUZHLMPSN-DLBZAZTESA-N 362.429 5.168 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C#N)c1C 409159832 AIWKSOWMJQTPPT-ZVBGSRNCSA-N 369.764 5.340 30 40 FKEB Cc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)s1 856593 RUXWIACIDCNDCO-NRFANRHFSA-N 366.530 5.895 30 40 FKEB CCCCCCCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 1593451 VPYDYEUDCPVQKF-FQEVSTJZSA-N 353.462 5.887 30 40 FKEB Cc1ccc(OCc2ccccc2)c(C(=O)/C=C/c2coc3ccccc23)c1 4026873 ZWXAQQWXGCZWCB-OUKQBFOZSA-N 368.432 6.216 30 40 FKEB biogenic N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1Cl 6927636 KEGDVYBYLHJCGP-LJQANCHMSA-N 364.807 5.387 30 40 FKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1 8368049 XVIACWYHLQVRRF-DHRITJCHSA-N 367.851 6.426 30 40 FKEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 12617098 VQAGPJTUHFSNBI-CYVLTUHYSA-N 371.461 5.728 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)cc1 43769585 ACERGHXZQNGUCY-CLCXKQKWSA-N 371.267 5.722 30 40 FKEB CCCCCCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 100332683 PLKPMYFWURBCHM-UHFFFAOYSA-N 362.510 5.732 30 40 FKEB CCCCCCCCCCCCCC(=O)O[C@@H](C)CC[C@H]1CCCO1 104260056 GLZRHJFPZLBSSW-LEWJYISDSA-N 354.575 6.578 30 40 FKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 118912912 OVKSHCIVDWZSJD-PYABZAOMSA-N 371.521 5.267 30 40 FKEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@H](C)CCOC(C)=O 252680042 UXNQBRLSYUSFKW-YCSCGVHMSA-N 350.543 5.126 30 40 FKEB biogenic,in-vitro Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1 829442 WXERVCMPESLFEG-CIAFOILYSA-N 369.262 5.313 30 40 FKEB O=C1/C(=C/c2ccc(Cl)cc2)CSC/C1=C/c1ccc(Cl)cc1 1643659 NUUZUMOYGRIQFX-CKOAPEAFSA-N 361.293 5.776 30 40 FKEB Cc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 2324736 AVZNIVXABVXAMP-BKUYFWCQSA-N 350.491 5.096 30 40 FKEB CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 4981329 BBZUKOQYVFLMES-UHFFFAOYSA-N 374.532 5.637 30 40 FKEB C(=N/c1cccc(-c2nc3ccccc3s2)c1)\c1c[nH]c2ccccc12 6864821 GKNFGKYNUCZCFJ-YDZHTSKRSA-N 353.450 6.195 30 40 FKEB N#Cc1ccc(-c2ccc(OC(=O)c3cccc(-n4cccc4)c3)cc2)cc1 7814797 LZMRSCKGXKSIHP-UHFFFAOYSA-N 364.404 5.235 30 40 FKEB Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 100093542 DJAJUXOVTUUIJZ-LIAPLOTISA-N 372.468 5.002 30 40 FKEB CCCCCCCCCCCCCCCCCCCCCCC(N)=O 113326256 HLYCHHRAFCZZDZ-UHFFFAOYSA-N 353.635 7.684 30 40 FKEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 219788369 QQLBHYMEPSXNJU-UHFFFAOYSA-N 371.436 5.125 30 40 FKEB C=CCC(C(=O)Nc1ccc(OC)cc1C)(c1ccccc1)c1ccccc1 225935916 IPOXYRKHTDVVMK-UHFFFAOYSA-N 371.480 5.505 30 40 FKEB COc1ccc(Oc2ccc(/N=C\c3ccc(N4CCCC4)cc3)cc2)cc1 408854231 AJIMASYREDTHCH-BWAHOGKJSA-N 372.468 5.838 30 40 FKEB Cc1ccc(-c2ccc(/C=N/c3cccc(F)c3)o2)c(Br)c1 409220670 DBRXBTAFLBDPNZ-SRZZPIQSSA-N 358.210 5.907 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1OC 409382495 NPWFGDJRZCLWJV-OEKFUPINSA-N 362.813 5.185 30 40 FKEB C[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)cc3)c2C#N)C1 873332 HYQGHDMXUYVPHG-JZOCJUILSA-N 359.292 5.258 30 40 FKEB CCCCN(CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCCC 1829015 RRIDJCMQSMSJON-DEOSSOPVSA-N 355.566 5.360 30 40 FKEB O=C1C(O)=C(CCCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 4552436 NCHVXENYWKKANN-OKZBNKHCSA-N 366.501 6.045 30 40 FKEB Fc1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 5024447 BNUVZDNDRLLDKY-ZMOGYAJESA-N 360.367 5.021 30 40 FKEB Cc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)c1ccccc12 5369795 JJTJCCOLGUMBOL-QHCPKHFHSA-N 355.462 5.862 30 40 FKEB C/C(CCc1ccccc1)=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5517909 SSGFRTULMVPRBB-CIAFOILYSA-N 351.328 5.034 30 40 FKEB O=C(/C(=C\c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccc(O)cc1 17421652 ADTDTVFNQISXTE-PDGQHHTCSA-N 369.247 6.123 30 40 FKEB O=C(/C=C/Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1 32100247 SYLPAYYHYMSRAC-BUHFOSPRSA-N 368.263 6.469 30 40 FKEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)Nc1ccccc1 100397899 WDBWUGQCAPXZHP-UCQKPKSFSA-N 364.832 5.108 30 40 FKEB C=CCOc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225519990 WDLRZLGSBGCQAA-UHFFFAOYSA-N 374.509 5.327 30 40 FKEB Cc1cccc([C@@H](NC(=S)Nc2ccc(CC#N)cc2)c2ccccc2)c1 225698902 CURQXNWDCLVKOK-QFIPXVFZSA-N 371.509 5.137 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1Cl 409212223 OAMBNUCPELTHBD-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H]1C[C@@H]1c1ccccc1 1775976390 LVTUTQOQOSRUTD-GHTZIAJQSA-N 365.436 5.582 30 40 FKEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1102637 XPQOPTLFRDNQDV-JOCHJYFZSA-N 370.452 5.198 30 40 FKEB Clc1ccc(/C=N/OCc2cccc(Br)c2)c(Cl)c1 2757451 NEHDNBPDYYWXJN-QGMBQPNBSA-N 359.050 5.307 30 40 FKEB O=C(c1c[nH]c2ccccc12)[C@@H]1O[C@H]1c1ccc(-c2ccccc2Cl)o1 3305494 BQBAEIAKXXMNPO-SFTDATJTSA-N 363.800 5.404 30 40 FKEB C[C@@H]1[C@@H]2C/C(=N/Nc3nc(-c4ccc(Cl)cc4)cs3)[C@@H](C2)C1(C)C 4746646 PMOPGEDYCSIGCV-MIKQTAEHSA-N 359.926 5.934 30 40 FKEB CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 5316489 BHOOSPBGGKYHCM-QURGRASLSA-N 371.828 5.712 30 40 FKEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)cc1 5409342 XVLADHFPVXXVFH-WYMLVPIESA-N 360.409 5.328 30 40 FKEB Cc1cc(SCc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N 5453377 OAHFFNKZPNRVBM-UHFFFAOYSA-N 363.873 5.613 30 40 FKEB Cc1cc(C)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 8335508 NHTMOJGKAFSHDO-INIZCTEOSA-N 366.530 5.640 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(C)c1 8368756 VCRDHOWSIBJFEC-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB CCc1ccc(/C=C2/CN(CC)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 12614169 JIDKXPOPUHUAEU-REPVBDINSA-N 359.513 5.183 30 40 FKEB COC(=O)c1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1Cl 59248233 DCSNOTHWKISHCB-WSDLNYQXSA-N 373.239 5.321 30 40 FKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)COc1ccc(Cl)cc1Cl)C2 100006242 CKFQIOWNGZFDKW-XDGVCLLNSA-N 370.276 5.118 30 40 FKEB C=CCSc1ccccc1C(=O)NCCCc1ccc(OC(C)C)cc1 219813888 FNCTWTHFHDSKJW-UHFFFAOYSA-N 369.530 5.115 30 40 FKEB CCCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21 1865409 LEBAAPNAMXIIOR-UHFFFAOYSA-N 371.571 6.460 30 40 FKEB O=[N+]([O-])c1cc(/N=C/c2ccccc2OCc2ccccc2)ccc1Cl 3110089 INKAXZZXNBRKND-LPYMAVHISA-N 366.804 5.578 30 40 FKEB C=CCSC1=NC(/C=C/c2c(Cl)cccc2Cl)=CC(C)(C)N1 4039919 VXUZRIZDQUTGNE-CMDGGOBGSA-N 353.318 5.548 30 40 FKEB C=CCOc1cccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c1 22534937 LMONQMDEQYPKMG-GOSISDBHSA-N 361.894 5.414 30 40 FKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1cccs1 33045711 SETLNHCTUJBWHW-WSDLNYQXSA-N 364.499 5.564 30 40 FKEB Cc1cc2cc(C)c(N/C(=C/C(=O)c3ccccc3)c3ccccc3)cc2[nH]1 35326276 GOLCJJPMCAIYQI-LFVJCYFKSA-N 366.464 6.121 30 40 FKEB CCCCOC(=O)Nc1ccccc1/N=C1/CCC/C1=C\c1ccccc1 51329721 XGYUXZWEOJWRRX-IHRXNWHQSA-N 362.473 6.375 30 40 FKEB C=CCOc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1 408736077 DEMOKVSRWSGORK-GPXNEJASSA-N 353.465 6.231 30 40 FKEB Fc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408979182 PPALWEHETHVLRF-ZVHZXABRSA-N 364.489 6.748 30 40 FKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 409215974 GZKGBOVMHPGIHI-YZSQISJMSA-N 351.449 6.478 30 40 FKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C)cc3)c3ccccc32)o1 409391661 JFABIQIBBBXDLI-ZMOGYAJESA-N 372.424 5.128 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])s3)c2C#N)C1 1445212 LKOVWLRSDHSYQD-KKBVUKDESA-N 373.503 5.491 30 40 FKEB Cc1ccc(Cl)c(N/C=C/C(=O)c2ccc(Br)cc2)c1 4600332 OKCJYYYVAMNAKP-CMDGGOBGSA-N 350.643 5.219 30 40 FKEB Oc1c(/C=N\c2ccc(Br)c(Cl)c2)ccc2ccccc12 100248537 WFZAUSVKPJSZIL-JMIUGGIZSA-N 360.638 5.712 30 40 FKEB Cc1ccc(Sc2ccc(/C=N/OCc3ccccc3C#N)cc2)cc1 408596328 RNWRVKSLYJEXQE-BUVRLJJBSA-N 358.466 5.569 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1c(OCC(=O)O)ccc2ccccc12 409203537 YRKZKEZIQXITCC-SSDVNMTOSA-N 353.805 5.016 30 40 FKEB COc1ccc2ccccc2c1/C=C1\S/C(=N\c2cccc(C)c2)NC1=O 1023327 JXUKVPMZXSNXPO-MOSHPQCFSA-N 374.465 5.048 30 40 FKEB CCN(CC)c1ccc(/N=C(\S)Nc2ccc(N(CC)CC)cc2)cc1 5499484 RKSXRIRGAXTYTH-UHFFFAOYSA-N 370.566 5.408 30 40 FKEB Cc1cc(C)c(C#N)c(SCc2ncc(-c3ccc(Cl)cc3)o2)n1 6983490 XTLQSGYVLJYIIX-UHFFFAOYSA-N 355.850 5.171 30 40 FKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(Cl)cc1Br 32100439 WDYJCEHXMJPGPU-FMIVXFBMSA-N 364.670 5.610 30 40 FKEB CCCCCCCCCCCCCCCC/N=C(/CC(=O)O)C(=O)O 100306205 GHDFDXXVEMEIQG-UZYVYHOESA-N 355.519 5.468 30 40 FKEB CCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 100959453 OGRHQTGMEXSYGA-UHFFFAOYSA-N 373.518 5.020 30 40 FKEB CCCCCCCCCCCCCCCC[N+]1(CC)CCSCC1 104190161 SCGDNCYLWHCCPA-UHFFFAOYSA-N 356.684 7.051 30 40 FKEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccc(Cl)cc1 105217409 LLMZALSRBZIVTI-XUTLUUPISA-N 356.878 5.297 30 40 FKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 137334293 YZLACANBUGQJTD-LGUFXXKBSA-N 365.480 5.961 30 40 FKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)o1 408589729 FTEABDASCDARQZ-SRZZPIQSSA-N 370.792 5.367 30 40 FKEB CCCCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 408911239 JNRNYLRFHJIHPW-OCIPIQTLSA-N 364.514 5.708 30 40 FKEB Cc1oc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C#N)c1C 409091903 SYKFTXNFPXGWQD-LSFURLLWSA-N 359.212 6.086 30 40 FKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)cc4)ccc32)c1 409243236 QWPHEFHOXQTETG-AFUMVMLFSA-N 362.835 6.233 30 40 FKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1-c1ccc(Cl)cc1 1398716 DBMBTZANVFGMPP-UHFFFAOYSA-N 364.779 6.021 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3C)c2C)cc1 4853880 XFKWLLHRLHKWNR-MFKUBSTISA-N 374.484 5.638 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc(F)c1 6961452 OXEMVJVDGQWWEG-MFKUBSTISA-N 363.432 5.862 30 40 FKEB Cc1ccc(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)c(C)c1 7587235 QIVLPVUZPTYWEB-DHZHZOJOSA-N 350.487 5.104 30 40 FKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F 17124133 HVHROOIVCVTTKV-SDNWHVSQSA-N 350.364 5.440 30 40 FKEB O=C(/C=C\c1ccc(Br)cc1)c1ccc(Br)cc1 17286717 LRNSKEMAIABAKW-KMKOMSMNSA-N 366.052 5.108 30 40 FKEB N#Cc1c(NC(=O)c2cc3cc(Cl)ccc3o2)sc2c1CCCC2 39897578 OSTUYMHUIIVSNU-UHFFFAOYSA-N 356.834 5.150 30 40 FKEB CCCCCCCOc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 100025523 GTZWBNKFCKTHFJ-UHFFFAOYSA-N 366.332 6.955 30 40 FKEB CCCCCCCCCCCCc1ccc(O)c(/N=N/c2cccnc2)c1 100934672 OIMSYGFBNDJZTN-OCEACIFDSA-N 367.537 7.666 30 40 FKEB CCCCCCCCCCCCNC(=S)N/N=C/c1cccc(O)c1 104380381 OOMLICLTGIVQRR-OQKWZONESA-N 363.571 5.111 30 40 FKEB C[C@@H](/C=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931427 LPFFRMGUWCHBIL-OVVVNKCHSA-N 358.526 5.492 30 40 FKEB C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2cccc3ccccc23)c1 216897711 GIMSAUPVPLITTO-WYMLVPIESA-N 374.436 5.170 30 40 FKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCC2 408571700 CTQRWZZBPHOOOG-ZRDIBKRKSA-N 360.438 5.020 30 40 FKEB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 408629075 LKGIFQKNSRFFGQ-CQSZACIVSA-N 368.502 5.030 30 40 FKEB Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1-c1ccc(N(C)C)cc1 408741085 NTOUUPINLVQZPM-YZSQISJMSA-N 367.496 6.064 30 40 FKEB CC(C)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408911288 MRYCMRGBJUWVLK-SMSCYPBYSA-N 372.877 5.058 30 40 FKEB CC1=NOC(=O)/C1=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 408937347 IXXDIFDJGFAPMX-DEDYPNTBSA-N 357.409 5.043 30 40 FKEB O=C1Oc2ccccc2C(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12 1554502626 UTGQUEOQXKONAE-RGEXLXHISA-N 365.388 5.020 30 40 FKEB Cc1cc2c(cc1C)N[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 1264215 ZZVBNYDWOMIYKX-QFIPXVFZSA-N 362.473 5.231 30 40 FKEB COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1Br 2883535 MIIVVHDLQIWKJG-QGMBQPNBSA-N 359.050 5.515 30 40 FKEB C[N+](C)(C)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 4280578 JOHBGQDLSZLLGM-OBGWFSINSA-N 372.488 5.358 30 40 FKEB COc1cccc(Oc2ccc(/N=C/c3ccc4ccccc4c3O)cc2)c1 4676903 CYCKAABJIPNSSB-PCLIKHOPSA-N 369.420 6.097 30 40 FKEB CCCCCc1ccc(/C(C)=N/Nc2ncc(-c3ccccc3)cn2)cc1 4713087 VPNNRGMBTBXWTH-NLRVBDNBSA-N 358.489 5.712 30 40 FKEB Cn1cc(/C=C2\S/C(=N/c3cccc(Cl)c3)N=C2O)c2ccccc21 6276439 KBOUXOYOGWGARZ-MFOYZWKCSA-N 367.861 5.564 30 40 FKEB CC[C@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 7449746 WXPDBCQZSSPGSD-WNSKOXEYSA-N 363.526 6.466 30 40 FKEB C=CCc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1OC 13669367 GZYYLFUJOSRTRN-MRXNPFEDSA-N 351.490 5.212 30 40 FKEB O=C(/C=C\c1cccs1)c1ccc(C(=O)/C=C/c2cccs2)cc1 17222035 AWFKHBXZPFZQCK-DSOJMZEYSA-N 350.464 5.602 30 40 FKEB O=[N+]([O-])c1cccc(/C=N/c2ccccc2/N=C/c2cccc([N+](=O)[O-])c2)c1 59458849 GKJJLRHVPQXBTI-JFMUQQRKSA-N 374.356 5.004 30 40 FKEB CCCCCCCOc1ccc(CNc2cccc(OCC(C)C)c2)cc1 100035313 FBKPMCVKIRYOFA-UHFFFAOYSA-N 369.549 6.683 30 40 FKEB CCCCCCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 102568298 WUBBRTCYNOEYAI-UHFFFAOYSA-N 359.485 5.473 30 40 FKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)ccc3C)c2C)cc1 408742990 RACQEJOSKYNPHG-ZVHZXABRSA-N 360.457 5.248 30 40 FKEB C=CCOc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 408912482 GUONVWXTPJYADC-ZVHZXABRSA-N 374.440 5.138 30 40 FKEB CCCCCCCCNC(=S)Nc1cc2ccncc2c2ncccc12 408974628 FSADZEHTXKJUJX-UHFFFAOYSA-N 366.534 5.430 30 40 FKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1Cl 409009268 CPYRPMDCSUHVGN-XUANBZSPSA-N 363.888 6.935 30 40 FKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1C 409216279 JPZPCDVDRBVAMF-IWIPYMOSSA-N 358.441 5.072 30 40 FKEB COc1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1Cl 409231791 KRQZVUJBHQNZBN-HYARGMPZSA-N 358.869 5.098 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1cccc([N+](=O)[O-])c1 677610 HNMMTZYQKDAKND-QHCPKHFHSA-N 370.408 5.421 30 40 FKEB O=C(/C=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 5765388 VDNQZBHCHGNCCL-PFONDFGASA-N 368.392 5.639 30 40 FKEB CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 15826339 LOQACNYKUPQIPS-HXUWFJFHSA-N 352.503 5.384 30 40 FKEB CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nc2ccccc2s1 18069372 SYSKILWEJCDFRF-HMMYKYKNSA-N 361.879 5.056 30 40 FKEB CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19794123 RUSUBMGVPLXIAM-UHFFFAOYSA-N 366.877 5.443 30 40 FKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl 50704748 FVJBLXCPMDSGJH-UHFFFAOYSA-N 353.897 6.224 30 40 FKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1 58268816 ZXXQYHUKPNBJPO-DTQAZKPQSA-N 367.423 6.245 30 40 FKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Cl)c(Cl)c1 59105699 XNBLNUJGPPOCSF-RIYZIHGNSA-N 367.232 5.024 30 40 FKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)ccc3C)c2C)cc1 100212014 DMMDKWYKFMQVOJ-MFKUBSTISA-N 374.484 5.638 30 40 FKEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 216277931 YBQCJIAMTXGNLJ-JOCHJYFZSA-N 361.441 5.201 30 40 FKEB C=CCOc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225356813 SKESPOBBQCMEFB-UHFFFAOYSA-N 350.245 5.130 30 40 FKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(C)cc2Br)C1 408563087 IHEDUICHPYAZAH-ZQHYZAEZSA-N 364.327 5.859 30 40 FKEB CC(C)N1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 408908351 ROKXHKURQASZCE-CUNGHOPLSA-N 356.878 5.352 30 40 FKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408968758 YRRLQRJSALSQKF-XYGWBWBKSA-N 360.501 6.151 30 40 FKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(F)cc2)c1 409200925 KKAIBRRKYJQULH-CFRMEGHHSA-N 353.824 6.117 30 40 FKEB CCOc1ccc(/N=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 1411106 HUOASQACNLPLFN-HIXSDJFHSA-N 360.457 5.057 30 40 FKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccccc1 3894120 WRKAPKXYPGLJPR-QHCPKHFHSA-N 354.453 5.544 30 40 FKEB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1ccccc1O 3898765 IDJLJSZIRWEAOY-MFKUBSTISA-N 361.485 5.619 30 40 FKEB Cc1ccc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc1 5012047 DDAMZJVNDSGXRO-RGEXLXHISA-N 357.384 5.699 30 40 FKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)c2C)c1 100116556 MAPBWMPDIKXYMH-YDZHTSKRSA-N 361.445 5.678 30 40 FKEB Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 100812378 YPNAOMFZBIWBBO-MFKUBSTISA-N 352.393 6.137 30 40 FKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)c1 1445098 ZIWRIRIEYLEFNN-LFVJCYFKSA-N 368.392 6.272 30 40 FKEB C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(F)cc1 2338859 LNUZAROKESFSTL-RMKNXTFCSA-N 351.450 5.076 30 40 FKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@@H](C)OC(C)=O 4023651 FCPHMAOZUSIKSS-HUBDCNQZSA-N 374.609 7.244 30 40 FKEB CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1 8860504 YLAZEWZHIRBZDA-REWPJTCUSA-N 361.570 5.926 30 40 FKEB C=CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196000 LDCQAZDFCDWBRG-SSDVNMTOSA-N 358.272 5.258 30 40 FKEB C[C@H]1CCc2c(C(=O)N3CCCS/C3=N\c3ccccc3)csc2C1 12551495 DNOWJQRVCFHQPS-WBOBJJNYSA-N 370.543 5.140 30 40 FKEB Cc1ccc(C(=O)Oc2ccccc2/C=C2\Sc3ccccc3C2=O)cc1 13773832 COJSUKSDJMNNFU-STZFKDTASA-N 372.445 5.544 30 40 FKEB Cc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1Cl 16346869 BHUOPXOVUCHRBX-NHDPSOOVSA-N 367.861 5.964 30 40 FKEB C(=N/c1ccc(CSc2ccccc2)cc1)\c1cccc2ccccc12 20242154 PDJXBMNRUWGHKT-KOEQRZSOSA-N 353.490 6.883 30 40 FKEB C=CCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(C)ccc21 100874082 IWGUVOUZHVPBHF-LNVKXUELSA-N 364.514 5.236 30 40 FKEB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 408629074 LKGIFQKNSRFFGQ-AWEZNQCLSA-N 368.502 5.030 30 40 FKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408784768 SOPKMELGWVOFCB-KOEQRZSOSA-N 374.484 5.802 30 40 FKEB C=CCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br 408975754 MSVFRCYZDZSDEG-BOPFTXTBSA-N 373.271 5.343 30 40 FKEB Oc1ccc2cc(Br)ccc2c1/C=N/c1ccc(Cl)cn1 2266443 AILPJUVVPIFMDB-AWQFTUOYSA-N 361.626 5.107 30 40 FKEB Oc1ccc2ccccc2c1/C=N/N=C(c1ccccc1)c1ccccc1 3244612 HPPXUKJBPVUCFE-KOEQRZSOSA-N 350.421 5.417 30 40 FKEB CC(C)CC[C@@]1(CC/N=C/c2ccc(N(C)C)cc2)CCO[C@@H](C(C)C)C1 4000017 XFEGJCRHNUKDAC-QYCVYIOLSA-N 372.597 5.819 30 40 FKEB biogenic C=CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OCC 33767585 IMSBUYHVUBERGD-UHFFFAOYSA-N 352.261 5.569 30 40 FKEB CCCCCCCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 102562039 FQZNBTMIRPHBJU-UHFFFAOYSA-N 373.512 5.863 30 40 FKEB CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 409238131 VWFSKZCSCUPTRA-KHCKMINHSA-N 350.506 5.950 30 40 FKEB C[N+]1(CC#Cc2ccccc2)CCC(c2ccccc2)(c2ccccc2)CC1 1823138 LZGVUPBVNCUQGS-UHFFFAOYSA-N 366.528 5.265 30 40 FKEB O=C(/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1)c1ccccc1 4864419 DFXBECUFRBOWLA-JXAWBTAJSA-N 358.828 5.640 30 40 FKEB CCOc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1 8991496 KWFQCHQGCAYMIL-BKUYFWCQSA-N 350.414 5.047 30 40 FKEB biogenic Cc1ccc(Cl)cc1/N=C\c1cc(Cl)cc(Br)c1O 100933795 CZWKEMJDDFTMJU-WSVATBPTSA-N 359.050 5.521 30 40 FKEB S=C1SC(=N/c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 104311288 NZMXBTYRQWCQMS-WDAKLKSISA-N 373.506 5.985 30 40 FKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408968788 ZCSQJWOCWAMCNL-ONUIUJJFSA-N 374.528 6.541 30 40 FKEB Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1F 409106977 PKDKYTNTIHOUBO-YDZHTSKRSA-N 355.865 6.689 30 40 FKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccc(Cl)cc1 833881 OUNMATVLBNNOMA-QHCPKHFHSA-N 359.856 6.167 30 40 FKEB COC(=O)c1c(C)[nH]c(/C=N/c2cccc(Cl)c2)c1-c1ccccc1 2317051 BWTNXFTXSFLGPE-WSDLNYQXSA-N 352.821 5.181 30 40 FKEB O=[N+]([O-])[C@H](c1ccccc1)[C@@H](C/C(=N/O)c1ccccc1)c1ccccc1 5203184 SCTWZSDTEFFVCK-BOVFIRRTSA-N 360.413 5.057 30 40 FKEB CC/C(=N\Nc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 6538430 ZTLLEGXGBDYETR-DEDYPNTBSA-N 350.274 5.829 30 40 FKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 8084742 JIUUBXMRLJNAOF-AFUMVMLFSA-N 367.851 6.371 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 8368814 AMHPAHHUSIPGDJ-OEAKJJBVSA-N 360.413 5.541 30 40 FKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)sc2c1 16348767 CMZGBNUOFPDUHE-YDZHTSKRSA-N 358.466 6.036 30 40 FKEB CC1=Cc2c(C#N)c(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C(C)(C)C1 16607289 GHCCCNWASMJBNT-UHFFFAOYSA-N 355.485 5.887 30 40 FKEB Cc1sc(NC(=O)CSc2ccc3ccccc3c2)c(C#N)c1C 58186545 LDXHOQAJBVEDGT-UHFFFAOYSA-N 352.484 5.121 30 40 FKEB CC(C)OC(=O)COc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1 107689300 WMULNWZOLFUTPN-UCQKPKSFSA-N 353.462 5.065 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 197668266 ZVPSBSCWHFVSPH-VULFUBBASA-N 373.887 6.355 30 40 FKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408965357 KPYWDPWEFPMCSY-DQPIFXJKSA-N 366.486 5.064 30 40 FKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 409053489 YVDMJQDYQXKKTR-XQNSMLJCSA-N 363.486 5.519 30 40 FKEB C=CCOc1c(CC=C)cc(CNc2cccc(Cl)c2C)cc1OC 409117423 RBODCNCTJLKTOS-UHFFFAOYSA-N 357.881 5.562 30 40 FKEB Cc1cc(Cl)cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 409154161 NXWOONOABJZBPZ-DBXWQHBBSA-N 350.849 5.377 30 40 FKEB CC1CCN(c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)CC1 409271113 JEBLTOUUPSYFKG-LPYMAVHISA-N 353.491 5.078 30 40 FKEB Cc1cccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc12 1055763 XCIPODAHFOMHCU-WSDLNYQXSA-N 373.368 5.168 30 40 FKEB Clc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 1093390 KMSUNJKQOAPTCG-RGVLZGJSSA-N 360.638 6.113 30 40 FKEB Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4)cc3)nc2c1 2894481 TZCHBLOOHRARPI-CZMNVGCUSA-N 372.855 6.872 30 40 FKEB C/C(=N\Nc1ccccc1C(F)(F)F)c1cccc(Br)c1 5020126 UQROQSNJDWBBOM-KEBDBYFISA-N 357.173 5.304 30 40 FKEB C=CCOc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 8254485 MYBKFKSDOHXHQB-XXAPSYRMSA-N 369.549 5.345 30 40 FKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 13616157 ABAMPLTYAXDEBF-ODLFYWEKSA-N 363.394 5.493 30 40 FKEB Cc1cc([C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)nc(C)n1 41562222 UXUVFYCENGTHDR-CYBMUJFWSA-N 363.467 5.013 30 40 FKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2CC)cc1 100259525 AAEQCUWUPQSQII-QLJNEMMGSA-N 372.515 5.079 30 40 FKEB Cc1ccc(-c2cc(/N=C/c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 408737391 OILHAJPZIRBZEW-PCLIKHOPSA-N 371.871 6.252 30 40 FKEB CC1(C)CC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)C1 911029 XAVAHMQYBXRFBN-UHFFFAOYSA-N 363.240 5.595 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1Cl 1240105 JNFHSCFXVNXKOA-HXUWFJFHSA-N 352.865 5.562 30 40 FKEB CCCCCCCCOc1ccc(/C=N/c2nc3ccccc3n2C)cc1 8399209 FBRJKYDFCPQWSV-HKOYGPOVSA-N 363.505 6.063 30 40 FKEB Cc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17043589 LHKJIWYGIBJJPD-HGJUWQSKSA-N 372.493 5.894 30 40 FKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1Br 32101520 AEIJLCQMRSSRSB-KEBDBYFISA-N 360.638 5.712 30 40 FKEB C#CCN(Cc1ccccc1Cl)C(=O)Nc1c(CC)cccc1CC 62374388 QHCLIDOIFZZPHR-UHFFFAOYSA-N 354.881 5.132 30 40 FKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C 408619829 HYGQKMCMDGPUGD-CCEZHUSRSA-N 373.452 5.167 30 40 FKEB CC(C)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409087386 TZDZQVICBXCTRR-JVWAILMASA-N 373.540 6.734 30 40 FKEB Cc1cc(C)c(C#N)c(SCc2c(Cl)ccc(Cl)c2Cl)n1 955243 BYNNUIJNZPGMLL-UHFFFAOYSA-N 357.693 5.823 30 40 FKEB Oc1ccc2oc3c(c2c1/C=N/c1ccc(Br)cc1)CCCC3 2295706 IDZHUHXCWYYUIK-SRZZPIQSSA-N 370.246 5.530 30 40 FKEB CCCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9196794 OGBLKJPKRYYEPY-UFFVCSGVSA-N 371.695 5.559 30 40 FKEB Cc1cccc(C)c1N/C(S)=N\N=C\c1ccc(OCCC(C)C)cc1 13468830 BIHVOVYTUAZKHG-HYARGMPZSA-N 369.534 5.460 30 40 FKEB Clc1cc(Cl)cc(/N=C2\NC3(CCCCC3)Cc3ccccc32)c1 13532449 DTWRPBVXBPZOFQ-UHFFFAOYSA-N 359.300 5.920 30 40 FKEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccc(Cl)c3)nc1-2 59459302 VKWXNEAQVYSVAO-SRZZPIQSSA-N 354.862 5.321 30 40 FKEB N#CCOc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 409169189 POAXMCVRCRDVPN-YRNRMSPPSA-N 371.267 5.722 30 40 FKEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 1050881 KPABHBXUSARNKJ-RCZVLFRGSA-N 359.513 5.598 30 40 FKEB O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1cccc2ccccc12 2251196 VGRWSUWSQYDFRT-HSZRJFAPSA-N 366.420 5.917 30 40 FKEB N#CCOc1ccc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 2876631 TZWZOSFBPJVISV-QMTMVMCOSA-N 371.267 5.722 30 40 FKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 4414199 LMNFXKDQDFCDDP-KEBDBYFISA-N 359.744 5.093 30 40 FKEB N#C[C@H]1CCCC[C@H]1[C@@]1(C#N)CCCC[C@@H]1Cc1nccc2ccccc12 5373792 XJWAPHCGDAHZIG-QVHJCDIPSA-N 357.501 5.807 30 40 FKEB Cc1c(Cc2ccccc2Cl)c(Cl)n2c(nc3ccccc32)c1C#N 12648761 UDWNJMFLABLKTB-UHFFFAOYSA-N 366.251 5.565 30 40 FKEB COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 83938045 QYBGADTXAJOJLJ-MRXNPFEDSA-N 373.840 5.017 30 40 FKEB CCCCCCCCCCCCCCCCCC[N+]1(CC)CCCCC1 95681369 CNDQRNKHSQJRCA-UHFFFAOYSA-N 366.698 8.269 30 40 FKEB CC(C)C1=CC(=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)C=C(C(C)C)C1=O 100039028 ARMCFFIHDTWHHK-UHFFFAOYSA-N 352.518 5.778 30 40 FKEB in-vitro CCCCCCCCCCCCCCCCCCOC(=O)CCN1CC1 104076670 LBWGGZSEDPQNJD-UHFFFAOYSA-N 367.618 6.497 30 40 FKEB C=CCc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1OC 224126511 DGPSWAQDYJFBJJ-UHFFFAOYSA-N 357.409 5.575 30 40 FKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)cc1 408758203 HLWTWQUYSJFNEM-WYZSWBMLSA-N 358.529 6.921 30 40 FKEB C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1ccc(N2CCCC2)cc1 408960862 OWYIWUCLPBLIJK-NLRVBDNBSA-N 366.464 6.451 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409383531 WJSPYJUWWBCJAG-YSRRJJCPSA-N 366.288 6.238 30 40 FKEB Cc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3C)nc2c1 724163 VFOBQUKVRMNWHX-ZMOGYAJESA-N 356.425 5.876 30 40 FKEB Cc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 828261 DEHFHAGSCBXSGY-UHFFFAOYSA-N 364.485 5.395 30 40 FKEB CCOc1cccc(/C=N/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1O 865402 JSPFQZCPEPKNBG-HYARGMPZSA-N 362.385 5.117 30 40 FKEB Oc1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2cc(Cl)ccn12 1231416 AOMHYVJDMBHEJK-UFFVCSGVSA-N 372.211 5.357 30 40 FKEB Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1Cl 3113893 CTPODXZDHAWYIQ-FSJBWODESA-N 367.235 6.552 30 40 FKEB COc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1Cl 5800137 BDGXSRWUIFZZLL-YDZHTSKRSA-N 361.832 5.643 30 40 FKEB CCCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl 6880664 QGSJMHKVTKZARU-UFFVCSGVSA-N 356.680 6.495 30 40 FKEB O=C(Nc1ccc(/N=C/c2cccnc2)cc1)c1ccc(Cl)cc1Cl 16429875 DUWFSIOTZWUBTL-FSJBWODESA-N 370.239 5.391 30 40 FKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 20572637 UVQJZCDBSITYNI-FEKVWQKISA-N 372.512 5.723 30 40 FKEB CCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 53353508 VHVFTXKXROBKDT-UHFFFAOYSA-N 353.510 5.306 30 40 FKEB CCCCCCCCCCSc1nc(CCCCCCCC)n[nH]1 97952135 OQXHKGOGIYMOJM-UHFFFAOYSA-N 353.620 6.941 30 40 FKEB Cc1ccc(/N=C2/C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)cc1Cl 102432715 JOHFEEFJMAIIPY-AQFUSMFPSA-N 373.883 6.096 30 40 FKEB CCCCCCCCCCCCc1ccc(OC(=O)OCCCC)cc1 104339006 RCWRLYABMOBYRW-UHFFFAOYSA-N 362.554 7.466 30 40 FKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)c(Cl)c3)c2C#N)C1 409211292 NIIBCHLDHZCUMS-ICXMQADFSA-N 372.921 5.880 30 40 FKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1435479 RLLLCBZQRMLDMF-OEAKJJBVSA-N 370.364 5.119 30 40 FKEB CC(=O)/C(=N\Nc1cccc(Cl)c1C)Sc1cccc2cccnc12 2190293 QTFCTJKILLFRBD-FCDQGJHFSA-N 369.877 5.303 30 40 FKEB N#Cc1ccc(/C=N/c2ccc(Cl)c(/N=C/c3ccc(C#N)cc3)c2)cc1 3236530 HXRQBNLNJKLJIR-CIOBDNPFSA-N 368.827 5.585 30 40 FKEB N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1 4175489 IOLMHRFKGFNZCE-HZHRSRAPSA-N 373.268 5.457 30 40 FKEB CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1 4867024 DFRVZIVYWKYYEV-HKOYGPOVSA-N 359.473 5.411 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OCC 6959751 IBBXIRJIJRXSAN-DEDYPNTBSA-N 360.251 5.163 30 40 FKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 8371880 ROHDBNDHSVXJPQ-ZMOGYAJESA-N 370.279 6.631 30 40 FKEB O=C1/C(=C\c2cccnc2)S/C(=N/c2ccccc2)N1C1CCCCC1 32124792 STTITXBGKXWPOC-QSAWGAGVSA-N 363.486 5.018 30 40 FKEB Cc1ccc(/N=N/C(=N/Nc2ccc(C)cc2)C(=O)OC(C)(C)C)cc1 100025366 GBMKNVSYQHVJBD-MAMLLYSWSA-N 352.438 5.154 30 40 FKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 408692957 ZGPPSSOLWFNYBG-NTCAYCPXSA-N 369.439 6.033 30 40 FKEB Fc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)c(F)c1 408854514 HEPWSXOYDFSZGK-SRZZPIQSSA-N 361.189 5.269 30 40 FKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(Cl)s3)cc2)cc1 408964133 BVDQFGRIBNOHSA-YBFXNURJSA-N 374.874 6.212 30 40 FKEB N#Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409021461 JAPYYUPIGMDZBI-CIAFOILYSA-N 354.887 6.175 30 40 FKEB COc1ccccc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2s1 5603323 SHOGOGSBGKAIEQ-SDXDJHTJSA-N 371.461 5.728 30 40 FKEB N#Cc1ccsc1NC(=O)c1oc2ccccc2c1COc1ccccc1 14142160 VSAGRIXYDPDUEW-UHFFFAOYSA-N 374.421 5.197 30 40 FKEB COc1cc(OC)c(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 51318730 RIANMIZAZUENRE-MDZDMXLPSA-N 359.853 5.289 30 40 FKEB CCCCCCCCCCCCCCCCCCC(=O)C(=O)OCC 97952430 YPOGQHGJUFMAKN-UHFFFAOYSA-N 354.575 6.770 30 40 FKEB CCCCCCCCCCCCOc1ccc2cc(C(=O)O)ccc2c1 101004850 YWTVKYUMVFJKGJ-UHFFFAOYSA-N 356.506 6.838 30 40 FKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1 408751730 BYFGVOMGGIYONP-MFKUBSTISA-N 358.872 6.651 30 40 FKEB CCCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408911331 MZGUETPINUREGD-USEUXELZSA-N 374.868 5.493 30 40 FKEB CCc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 409231023 HRXWQVLGCLECFC-OUUNKBNMSA-N 354.450 5.012 30 40 FKEB FC(F)(F)CNc1cccc(OCCCC(F)(F)C(F)(F)F)c1 1083811687 DIWZHQDXEMHFRD-UHFFFAOYSA-N 351.237 5.017 30 40 FKEB N#Cc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4545681 ODCNJYWQBDFRRP-ZVBGSRNCSA-N 373.268 5.435 30 40 FKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C1 5902758 SUFPFDPRRWQJDO-LBPRGKRZSA-N 372.921 5.676 30 40 FKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OC 8084210 JBTJLZVNROVMRN-UDWIEESQSA-N 362.267 5.169 30 40 FKEB CCCCCCCC[C@@H](CCCCCCCCCCC(=O)O)C(=O)O 100243800 KGDFFRUWAGMXRB-IBGZPJMESA-N 356.547 6.423 30 40 FKEB biogenic,in-vitro C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/C3CCCCC3)CC[C@H]12 253499718 UBVDQPPYMIRBTH-LCKOFFKDSA-N 355.610 7.193 30 40 FKEB Cc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408738559 MBKVPPYSRGXOAE-LPYMAVHISA-N 367.290 5.916 30 40 FKEB Cc1cc(Br)ccc1/N=C/c1ccc(N2CCCCC2)cc1 408845563 KOYIHYRGVQXWBF-KGENOOAVSA-N 357.295 5.498 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408914923 RSQGIUXLNMIDTK-ZMOGYAJESA-N 374.440 5.054 30 40 FKEB Clc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1 409013029 MAFOSPPSWRXYBA-UDWIEESQSA-N 359.654 5.644 30 40 FKEB Cc1ccc(-c2ccc(/C=N\c3cccc(O)c3)o2)c(Br)c1 409241729 UHOZPGCKHBZILV-JAIQZWGSSA-N 356.219 5.474 30 40 FKEB CCCCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 4375809 BIMIEBMZQZLFKK-XOMAYSQNSA-N 350.506 5.831 30 40 FKEB O=C(CC(C#Cc1ccccc1)CC(=O)c1cccs1)c1cccs1 4551160 WSHGSKJLLJRATJ-UHFFFAOYSA-N 364.491 5.323 30 40 FKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Sc2ccccc2)cc1 4866087 MMIKSQJVWVTOLL-OVCLIPMQSA-N 361.422 5.642 30 40 FKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccc(Cl)cc1 4929128 VPRDKVMOMRQMKA-UFFVCSGVSA-N 363.223 5.073 30 40 FKEB Cc1ccc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(C)c1 6331165 OJNXVQQKLHFIFR-BKUYFWCQSA-N 351.515 5.276 30 40 FKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1 8570883 UBHUFUPODQRFFP-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1c(F)cccc1Cl 33747547 JZIBEWSPFWNQSX-SFHVURJKSA-N 371.843 5.096 30 40 FKEB CCCCCCCCCCCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 100070100 ZGLNYPQAUHQFES-OAQYLSRUSA-N 356.510 5.515 30 40 FKEB C=CCOc1c(Br)cccc1/N=N/c1ccc([N+](=O)[O-])cc1 100706600 PZFPURCGTVFMQT-ISLYRVAYSA-N 362.183 5.338 30 40 FKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408967490 SJSYXTMOYGHPPP-QQXSKIMKSA-N 369.468 5.792 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3)c2C)cc1 409186650 GAGQIPVOOHRUMQ-HMAPJEAMSA-N 363.417 5.152 30 40 FKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)cc1 409201865 OIURAGIAIYFVFV-ZMOGYAJESA-N 353.824 6.117 30 40 FKEB CCCCCCCCCCCCSC1=C(N)C(=O)c2ccccc2C1=O 1766933 PTWIXTKMQGCIJN-UHFFFAOYSA-N 373.562 5.890 30 40 FKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc(Cl)cc1 1920201 ZHEQJNSPIQLLMN-YDZHTSKRSA-N 354.236 5.975 30 40 FKEB C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 31894582 OMLHTHDNMOEJMF-QXVBGXPVSA-N 357.280 6.459 30 40 FKEB N#CCSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087666 OCGDTJNQFUFKTI-UHFFFAOYSA-N 359.376 5.174 30 40 FKEB C=CCN(C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12)c1ccccc1 48364708 CZXOGYCUHKIYAF-UHFFFAOYSA-N 363.310 5.130 30 40 FKEB CSc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 59250162 YWJCMNKHQDCMDS-DEDYPNTBSA-N 371.303 5.712 30 40 FKEB CCCCCCCCCCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1 98043733 NHUSAXAAYGZXJG-UHFFFAOYSA-N 360.523 5.375 30 40 FKEB C=CCOc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222688250 SHWFRSHOGMBJQD-UHFFFAOYSA-N 361.894 5.416 30 40 FKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408772423 LOLHHJZCMNRMCS-YDZHTSKRSA-N 350.849 5.701 30 40 FKEB CC[C@@H](C)n1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409071311 JFVZAHXBIFOZKO-OKYTWDAHSA-N 360.383 5.472 30 40 FKEB N#Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1Cl 4886453 NUMZGKSKUKUIMD-UHFFFAOYSA-N 352.846 5.096 30 40 FKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 4975305 NWRVBUQIDLTUHI-VXLYETTFSA-N 372.291 5.327 30 40 FKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5187173 AERUTHDYGZESNR-ODLFYWEKSA-N 358.796 5.440 30 40 FKEB CC(C)Oc1ccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)cc1 6358466 DETJELZXMSNGPR-RGEXLXHISA-N 373.408 5.632 30 40 FKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1cccc(Br)c1 6471261 IGCDAFHTFFJSFM-BQYQJAHWSA-N 356.046 5.652 30 40 FKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc23)c(C)c1 8368825 KZCDIPWWHZHXHH-WPWMEQJKSA-N 365.476 6.786 30 40 FKEB Cc1ccc(N/C(S)=N/N=C/c2c(Cl)cccc2Cl)c(C)c1 8690540 OLIMZMGPCNLWIN-DJKKODMXSA-N 352.290 5.342 30 40 FKEB CCCCC[C@@H](CN(C)C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N\O 17064710 NRHHMCVOSSAKLS-SSWZZTKISA-N 357.325 5.595 30 40 FKEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)cc1 225716666 PNOICQZBGLWHOO-FQEVSTJZSA-N 354.519 5.306 30 40 FKEB CCCCO/C([O])=C(/C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1 1560406733 OVQCVJUGJNHYNS-UHFFFAOYSA-N 356.373 5.305 30 40 FKEB O=C(/C=C/Nc1ccc(Cl)cc1F)c1ccc(Br)cc1 5672334 ITVUXAIXNSMATR-BQYQJAHWSA-N 354.606 5.050 30 40 FKEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 6340921 WECNNYDWBNKAMO-QHHAFSJGSA-N 356.592 5.451 30 40 FKEB N#Cc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 6880848 WMGKYLYZEOWCII-UHFFFAOYSA-N 368.392 5.136 30 40 FKEB CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br 6941702 KBFRIEYHCODNCF-RGVLZGJSSA-N 366.686 5.950 30 40 FKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccc(F)cc3)ccc21 13654066 FUJFSGGFVSVNPH-ODLFYWEKSA-N 352.386 5.082 30 40 FKEB Cc1ccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2)cc1 25361901 KILCSKPOEFYYHR-VWLOTQADSA-N 369.512 5.224 30 40 FKEB C/C(=C\C(=O)c1cccnc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32100635 YLMXYPMRTYEQTB-BJMVGYQFSA-N 374.284 5.318 30 40 FKEB COc1cccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)c1OC 33376546 OXOOWKAQWKFVBS-NXVVXOECSA-N 374.436 5.179 30 40 FKEB Cc1cc(N/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1Br 51318718 WMRGGFPGKDIFGU-ZHACJKMWSA-N 358.279 5.689 30 40 FKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C\c1ccccc1O 100933803 QQLHBEPCNPQWPR-FMCGGJTJSA-N 362.816 5.913 30 40 FKEB CC1(C)C[C@@H]2C[C@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1 101416511 JULVZMSKTWYPIV-NHXSASMMSA-N 355.551 5.449 30 40 FKEB CCCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408915079 PBHMERZMFSLSCD-JUFQOAMISA-N 362.498 5.565 30 40 FKEB Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 409216757 OHHCROVTDWGWDM-YDZHTSKRSA-N 356.252 6.323 30 40 FKEB CCc1nc(SCC(=O)c2cccc(Cl)c2)c(C#N)c2c1CCCC2 627425 PFDNCIRNANPNGN-UHFFFAOYSA-N 370.905 5.023 30 40 FKEB Cc1cccc(N/N=C(\C#N)c2nc(C)c(/N=N/c3ccccc3)s2)c1 4292803 RVDJMTUCQSIVCE-GIHPTVFISA-N 360.446 5.515 30 40 FKEB CN1[C@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@H]1c1ccccc1 73257545 VUCFRUBUXMGNIA-DQEYMECFSA-N 370.496 5.767 30 40 FKEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 84027031 IQJOASWDZWYCPO-ZDUSSCGKSA-N 365.845 5.230 30 40 FKEB CCCCCCCCOCCNC(=O)c1ccccc1-c1ccccc1 100038543 PTNBVJXREUCHHS-UHFFFAOYSA-N 353.506 5.461 30 40 FKEB CCCCCCCCCCCC(=O)Nc1sc(C)c(CC)c1C(N)=O 103000237 FUIPUCLYVNUCSV-UHFFFAOYSA-N 366.571 5.577 30 40 FKEB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)nc2c1 408624007 AHSSNHAXIGZESU-UHFFFAOYSA-N 371.371 5.066 30 40 FKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)c2ccc(C)cc2)o1 408691614 ILWQLMBLJGJFQI-DHZHZOJOSA-N 363.369 5.068 30 40 FKEB C=CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br 409214681 ZTONBMDTXODARQ-RGVLZGJSSA-N 364.670 5.726 30 40 FKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(F)cc2)c2ccccc21 3641121 QPFCNVJCLJZHHZ-QFIPXVFZSA-N 359.425 5.692 30 40 FKEB C[C@@H]1CCc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)c(C#N)c2C1 4070070 ATLVSMJMJDJSGQ-OAHLLOKOSA-N 372.493 5.664 30 40 FKEB Cc1ccc(-c2csc3ncnc(N/N=C/c4cc(C)ccc4O)c23)cc1 4147404 ZVBJABVSUOEMQM-YSURURNPSA-N 374.469 5.127 30 40 FKEB CCCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1 4660085 UTOWIGRBOCESKP-BOPFTXTBSA-N 372.877 5.020 30 40 FKEB CC(C)(C)c1ccc(/C=C2/C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 8264395 ZILIYULDJAAMCQ-YPKVGQCMSA-N 368.476 6.384 30 40 FKEB O=C1C(=C2CCCCC2)CCC[C@@H]1C[C@H]1CCCC(=C2CCCCC2)C1=O 13510922 BXVNLOQSERTELE-NHCUHLMSSA-N 368.561 6.636 30 40 FKEB biogenic C/C(=N/Nc1ccnc2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1 33533813 XSAKRLWJJWIKMQ-YVNNLAQVSA-N 364.663 6.031 30 40 FKEB C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219817646 RIWLUGOCWMZSKQ-GOSISDBHSA-N 367.514 5.305 30 40 FKEB C=CCOc1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1 225588700 UFGIUTGQADLONN-UHFFFAOYSA-N 372.559 5.029 30 40 FKEB C=CCOc1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225661202 RJVWANMIQWGJJX-QGZVFWFLSA-N 368.546 5.294 30 40 FKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 408740851 NENOFXHCAXFGRY-JJIBRWJFSA-N 351.538 6.207 30 40 FKEB C=CCOc1ccc(CNc2cccc(Cl)c2C)cc1Br 409117332 NCINBOGEJGYCMM-UHFFFAOYSA-N 366.686 5.588 30 40 FKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc([C@H](C)CC)cc2)cc1OC 409376002 RXPGJLKBXABBPW-JBMOEGQDSA-N 373.924 6.790 30 40 FKEB Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 1434417 CMRWDFCAFUZFOQ-FOKLQQMPSA-N 366.779 5.744 30 40 FKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(Cl)cc1Cl 3115381 XNXATZDRWUYLRR-KPSZGOFPSA-N 373.623 5.628 30 40 FKEB C[C@@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccccc2)C1 4553649 FMBLAAXKAHEDLH-DTVDJLOLSA-N 374.509 5.876 30 40 FKEB O=[N+]([O-])c1ccc(/N=C(\O)Oc2ccc(Cl)cc2Cl)c(Cl)c1 4794348 IQXZCGQZWYOTFM-UHFFFAOYSA-N 361.568 5.180 30 40 FKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccccc1 4893509 BDDXJMDXNULXMX-HMAPJEAMSA-N 374.461 5.604 30 40 FKEB C[C@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3Cl)c(C#N)c2C1 5185865 DIKBWIAWDBVIAQ-VIFPVBQESA-N 365.285 5.304 30 40 FKEB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)Cc2ccccc21 6344868 IDANTEDFVCOLHV-SAPNQHFASA-N 368.461 5.423 30 40 FKEB C=CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OCC 6959755 KRYDZEPCDHIDTA-FYJGNVAPSA-N 374.278 5.472 30 40 FKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(C)c1 8368586 TZYMMQCVKJGBFK-DHRITJCHSA-N 367.851 6.426 30 40 FKEB N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 20759854 NJQIJXSJJQKLSA-UHFFFAOYSA-N 362.241 5.207 30 40 FKEB C=CCSc1ccccc1C(=O)Nc1ccc(Br)cc1F 219807025 NIFQKFPHPVBXQW-UHFFFAOYSA-N 366.255 5.119 30 40 FKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccccc2)sc2c1CCCC2 408774640 CQMJKHGKNBMZHV-XYGWBWBKSA-N 374.509 5.308 30 40 FKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408857847 MXKAZEYEULBJKV-IWIPYMOSSA-N 374.509 5.938 30 40 FKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 408960093 JIZHSUUFWRYEFC-OVVQPSECSA-N 372.556 7.058 30 40 FKEB Cc1cc2nc(-c3ccc(SCc4ccc(C#N)cc4)nc3)[nH]c2cc1C 1329607 YANBHHBLZHYGLA-UHFFFAOYSA-N 370.481 5.406 30 40 FKEB aggregator N#Cc1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2 2740150 ZKNINXREGJHWML-VAWYXSNFSA-N 370.905 5.584 30 40 FKEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 5177311 BWSHZNDGXBYORS-VAWYXSNFSA-N 369.468 5.176 30 40 FKEB CC(C)(C)c1ccc(NC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5383884 VQZMIFVMVYDNQO-UHFFFAOYSA-N 353.491 5.440 30 40 FKEB C=CCn1c(/C=C/c2ccccc2)nnc1SCc1ccc(F)cc1 5517759 PVRYJRYRYWROPS-JLHYYAGUSA-N 351.450 5.066 30 40 FKEB Cc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1C 6815068 XADLDXCGKINSQT-OEAKJJBVSA-N 360.413 5.259 30 40 FKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 6961236 UJVXBGLHGOPLCL-PCLIKHOPSA-N 359.469 6.032 30 40 FKEB COc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2Cl)c1C#N 27023324 OESRAUZZSUXVPD-UHFFFAOYSA-N 355.224 5.603 30 40 FKEB C/C(CCc1ccccc1)=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33733340 SSGFRTULMVPRBB-MTJSOVHGSA-N 351.328 5.034 30 40 FKEB CCCCCCCOc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 100171982 MTSDUOVSEXWIQZ-CJLVFECKSA-N 350.466 5.358 30 40 FKEB CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@H]3CC[C@@H]2C1 254045246 GBSGMSKNTLPLQF-MCBZWFFSSA-N 356.506 5.006 30 40 FKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)cc1 409188193 XIIZHTXDBMDPNJ-YZSQISJMSA-N 368.480 6.397 30 40 FKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409240572 LGYLIEVJZDDKSD-WZGTUUFSSA-N 359.538 7.410 30 40 FKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2Cl)cc1OC 409381992 JPBCYOBRUDCBTL-UORWWSPDSA-N 352.261 5.930 30 40 FKEB COC(=O)c1ccc(Cn2cc(/C=N\c3cccc(C)c3)c3ccccc32)o1 409392701 NFAXKWYWUFGYIB-CFRMEGHHSA-N 372.424 5.128 30 40 FKEB