smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc(Cl)c1OC 717710 DQROHLGPGSBAHS-QHCPKHFHSA-N 447.962 6.711 30 50 IKEA CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 864502 OEWFOONBCNVTMJ-HSZRJFAPSA-N 430.479 5.123 30 50 IKEA C[S+](C)[C@H]1Cc2ccc3ccc(cc3c2)C[C@H]([S+](C)C)c2ccc3ccc1cc3c2 25694287 WXIQQPIGBCBEGC-NSOVKSMOSA-N 430.682 6.630 30 50 IKEA CCCCCCCCNC(=O)C[C@@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]1C 64858363 AFBOFJAXQUATPU-CVDCTZTESA-N 441.015 6.339 30 50 IKEA in-vitro CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)OC1(C)C 207255356 ZQVXGZDSERJQTC-UHFFFAOYSA-N 445.371 6.750 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 717023 WQWIPDQACZGAQA-DEOSSOPVSA-N 433.523 5.216 30 50 IKEA O=C1c2ccccc2N[C@H](c2cccc3cccnc23)N1/N=C/c1cccc2cccnc12 2098448 WPVWBYOJTFBRAC-FLANDWEYSA-N 429.483 5.384 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 2868469 KZRBESXBLONNEJ-VWLOTQADSA-N 431.532 5.185 30 50 IKEA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 19762475 ZWMDYDWSLZDAAN-CPJSRVTESA-N 431.532 5.008 30 50 IKEA Cc1ccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3Cl)o2)cc1 20602398 RIWKCTSTNKQPIB-MDZDMXLPSA-N 431.713 6.479 30 50 IKEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 20617905 CWHCOFTZMDOUMZ-ZVBGSRNCSA-N 435.292 5.188 30 50 IKEA CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 101016702 QALMORZYODYPPR-UHFFFAOYSA-N 440.650 6.697 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]12C 257349271 MXIKNOBYVNLDDR-SDECMKDGSA-N 430.677 7.378 30 50 IKEA CC[C@](O)(C/N=C(/O)c1c(C)cccc1Br)c1ccc(Br)cc1 328596516 YWHMYGPYLTXMDN-SFHVURJKSA-N 441.163 5.122 30 50 IKEA Cc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 632828 DXESXQRWYVRBGH-UHFFFAOYSA-N 429.560 6.228 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 717193 FOXLSVCGCITMAQ-VLIAUNLRSA-N 447.478 5.302 30 50 IKEA CCc1c(C#N)c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2c1C(=O)CC(C)(C)C2 1076332 OLAMJSSUHKIVLK-UHFFFAOYSA-N 431.561 5.436 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc12 2775337 HTRMGPQTKYBQEC-XMMPIXPASA-N 449.616 5.740 30 50 IKEA CC(C)CCOc1ccc(Cl)cc1/C=N/c1sccc1C(=O)NCc1ccco1 17097275 GSOMPKAOAJHNGJ-DHRITJCHSA-N 430.957 6.100 30 50 IKEA CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1C(=O)O 32609449 DYKVXNALUDOXCR-SOYKGTTHSA-N 430.544 6.436 30 50 IKEA CCOC(=O)N1C(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(F)F 59727606 OKHBUGTUYIXAQT-UHFFFAOYSA-N 449.138 5.541 30 50 IKEA COc1ccc(CN(CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 239403282 RRSOUPVPFREUEZ-LXWOLXCRSA-N 449.639 5.108 30 50 IKEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccccc2Cl)CC(=O)O3)C1=O 263584865 BRBHDKFDQXTHIG-CTPANLQCSA-N 432.859 5.406 30 50 IKEA biogenic C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 1857525244 NDZYXAXWOZOQAQ-KPTARGDSSA-N 434.624 5.884 30 50 IKEA CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Br)s1)Nc1ccc3ccccc3c12 986071 FFLJNLXJFDIMCN-QFIPXVFZSA-N 438.390 6.973 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19643578 GSKDVKZRDSPPOD-NIYFSFCBSA-N 445.534 5.673 30 50 IKEA C(=N/N=C1/SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1)\c1ccco1 136821744 LDRPNWYYHFXLJS-LHEJBBNCSA-N 449.539 6.683 30 50 IKEA CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@H](O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 253498918 AYNSZTKDERUHKJ-VJVIHOGHSA-N 431.620 5.198 30 50 IKEA biogenic O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 1129561 DGPWEHMZLRGBKU-OAQYLSRUSA-N 433.847 5.458 30 50 IKEA O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2820071 ZIYNVZDYXRHSCO-UHFFFAOYSA-N 434.461 5.068 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc(Cl)cc2)C1=O 6378653 JFSWCVREEATPLY-ZHZULCJRSA-N 435.932 6.037 30 50 IKEA CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)cc2Cl)N[C@H]1c1ccc(Cl)cc1Cl 19202044 ILQVPHGLJPFAMX-RBUKOAKNSA-N 430.162 6.096 30 50 IKEA CCc1ccc(-c2nnc(S/C(=N/Nc3ccccc3)C(=O)c3ccccc3)o2)cc1 19879138 SLPRAXFPBGZDFL-SLEBQGDGSA-N 428.517 5.700 30 50 IKEA CC#C[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 73196402 ZOPNBMMVVZRSGH-OAQYLSRUSA-N 438.445 6.533 30 50 IKEA in-vitro N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(C3CCCCC3)c2)cc1C#N 1851076 QFHUSFGLZOUCMY-UHFFFAOYSA-N 444.494 6.806 30 50 IKEA O/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 2999299 PDHPYWNJTHUSSJ-XMQIJXBMSA-N 429.303 5.349 30 50 IKEA C=CCCCCCCCC[C@]1(O)[C@H]2CC[C@@](C)(C2(C)C)[C@]1(O)CCCCCCCCC=C 104309036 QYSKLDWWBWCAAM-ZVVXMFRTSA-N 446.760 8.518 30 50 IKEA Cc1ccc(C2(CNc3oc([C@H]4C[C@H]4c4cccc(F)c4)nc3C#N)CCCCC2)cc1 1857798497 KADKOEVPZCIPIQ-GOTSBHOMSA-N 429.539 6.579 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 681732 SGENHWCBNUIGCF-WRHNGFHOSA-N 435.527 6.156 30 50 IKEA COc1cc(OC)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 1264573 YPADTQSWVQUGSH-VWLOTQADSA-N 436.552 5.551 30 50 IKEA CN1/C(=C2/S/C(=N\c3ccc(O)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 3021896 FJBYRSYQUVIOPF-ZMPCKTLKSA-N 431.542 5.571 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2C)cc1 8439399 OBYCXPGPWMCKQI-RUZDIDTESA-N 445.559 5.351 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 17163330 WIELBMCPGVDHMH-VWLOTQADSA-N 436.983 6.529 30 50 IKEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 20617949 QNBGBMPQDRWLHJ-ZVBGSRNCSA-N 435.292 5.188 30 50 IKEA C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)c1ccc(OC)cc1 670568 OGDMEIWKVLRETI-UHFFFAOYSA-N 444.560 5.213 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 718182 AEKKKQZGFKZCDI-QFIPXVFZSA-N 441.449 5.417 30 50 IKEA CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1O 9560077 YDFSVUSOZNKRKV-HIFRSBDPSA-N 446.330 5.102 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 18285623 BXNREIQYHKIHTL-PIIWDFAUSA-N 440.518 6.136 30 50 IKEA CCCCCCCCNC(=O)C[C@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]1C 64858365 AFBOFJAXQUATPU-WMZHIEFXSA-N 441.015 6.339 30 50 IKEA in-vitro C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O 253406714 JDWJFRUHQILALZ-ZIHVZMLCSA-N 428.440 5.292 30 50 IKEA biogenic Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 2790909 BYNAUSKQQZFGOL-CHWSQXEVSA-N 449.418 5.238 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1 2865484 NBBHMJXMRLARDM-KKSFZXQISA-N 439.342 6.363 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3F)C2)[C@H]1c1ccccc1 8995930 MMIBLOSSVCAZDX-UZTOHYMASA-N 426.491 5.746 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccc(Oc2ccccc2)c1 239235537 WDDKZGKEVYQYHL-UHFFFAOYSA-N 441.343 6.215 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccs1 1066838 SEFUVLYZRQMWHS-IVZQSRNASA-N 427.953 5.326 30 50 IKEA N#Cc1c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)sc2c1CCC2 16392740 NATQKXWTXGIRAI-UHFFFAOYSA-N 430.920 5.624 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c3ccccc3)cc1N2 669917 USBCNMJGJPYFFK-RUZDIDTESA-N 439.471 5.412 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19762441 YWGBWEAQQLRIII-CUBQBAPOSA-N 449.550 5.792 30 50 IKEA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@H]21 239038741 DVJCYWWUKJRSJW-DJEYIWCMSA-N 444.600 6.200 30 50 IKEA N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1 9226942 MDBQULVXILALOA-NRFANRHFSA-N 447.494 5.477 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 19646932 JSUGGEPXMUWXJH-XCLFUZPHSA-N 448.371 5.590 30 50 IKEA C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 19972675 BUCJXZXPOCZEOR-UHFFFAOYSA-N 437.967 5.325 30 50 IKEA Cc1cccc(OCCOc2ccc(Cl)cc2C=NNC(=S)Nc2ccccc2)c1 244647087 GUWVYLYHOQMPDP-UHFFFAOYSA-N 439.968 5.427 30 50 IKEA Cc1ccc(N2C(=O)C[C@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1 1079542 WDFVSFCLKSKLFR-GOSISDBHSA-N 428.359 6.466 30 50 IKEA CCc1c(C)sc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C#N 2736541 ZLGFRGPRNUPEOI-UHFFFAOYSA-N 425.557 6.575 30 50 IKEA CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 2861942 ZUCGBBVKTIUPGD-VWLOTQADSA-N 448.519 5.266 30 50 IKEA COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 8913999 FVWWBSVRCAEWET-RBTNQOKQSA-N 438.527 5.616 30 50 IKEA C=CCOc1c(Br)cc(/C=C2\N=C(SCC)SC2=O)cc1OCC 15016374 OPSKPYYIZGITNZ-LCYFTJDESA-N 428.373 5.136 30 50 IKEA COc1ccc(Br)cc1[C@@H]1C2=C(CCCC2=O)Nc2ccc3ncccc3c21 16425619 HWWCDOGJKRIFQE-QFIPXVFZSA-N 435.321 5.570 30 50 IKEA CCOc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 16675963 QXRCGNPMXFPVBT-SSGMYWTASA-N 447.966 5.506 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 16995576 CFJQPANDIBUDTP-FQEVSTJZSA-N 434.289 5.232 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 101016625 WRLACBJNDHQJRX-UHFFFAOYSA-N 441.634 6.858 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 253502148 LCHQKKCWNVVBHJ-LHYXRESWSA-N 441.656 5.552 30 50 IKEA biogenic Cc1ccc([C@@H](CNc2oc(COc3ccccc3F)nc2C#N)N2CCC(C)CC2)o1 1775975952 MLRQVYSMNZOQKF-HXUWFJFHSA-N 438.503 5.051 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(F)cc3)o1)Nc1ccccc1-2 2977380 FHPRVLSVNOPMIM-NRFANRHFSA-N 432.480 5.719 30 50 IKEA Cc1ccccc1/C(=N/S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1 6168916 NDIZGRQJLRJAJX-UHFFFAOYSA-N 429.339 5.005 30 50 IKEA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1O 8438840 OXJNAMHGUAYTFA-QGOAFFKASA-N 436.507 6.446 30 50 IKEA in-vitro N#Cc1ccc(C(=O)Nc2cccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)c2)cc1 263639700 DYVQVXYESFCJEC-UHFFFAOYSA-N 440.812 5.797 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2 672600 JKOMNYJZWAZQKC-BVZFJXPGSA-N 445.360 6.429 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9008209 WHRHZLHXXNQFAM-HXUWFJFHSA-N 439.298 5.167 30 50 IKEA C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl 9261118 SZUZKSTWQKRNOX-UHFFFAOYSA-N 447.391 5.302 30 50 IKEA CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 13568553 VNLHLXBIHDGYKZ-DWXRJYCRSA-N 430.573 6.515 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 19643772 VYWAPTRTHADXDU-AREMUKBSSA-N 445.559 5.433 30 50 IKEA COc1ccc([C@H](CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)N2CCCC2)cc1 1775976551 RUHDXYLFANBTJU-APYIBEOOSA-N 432.499 5.113 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1184508 XWIKZAASTVWJOU-IERDGZPVSA-N 427.591 5.370 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccco1 2522890 UYQKKRFHYUXPFJ-UHFFFAOYSA-N 442.850 5.127 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCc2ccccc2)cc1 16447598 DGXSOXOBGCYYPX-VWNXMTODSA-N 437.539 5.578 30 50 IKEA CCCCCCCCCCCNc1c(CCCCC)c(C)c(C#N)c2nc3ccccc3n12 98050307 ZEEQWLAUCKRMRY-UHFFFAOYSA-N 446.683 8.343 30 50 IKEA C=C1C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO 1772820206 WGSYIFPPMZUQAN-BIXAQFOASA-N 426.597 5.312 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccsc2)cc1 781162 PVQUMWOXIGBNQT-QFIPXVFZSA-N 437.561 5.104 30 50 IKEA COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 1156394 MZYPCAYGYBXGOQ-UHFFFAOYSA-N 448.490 5.541 30 50 IKEA C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1 10035314 KDUKQIGZEHYLQG-MYYSRTQBSA-N 432.907 6.000 30 50 IKEA CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)O 97976941 SZHBFCKBGNYQNP-UHFFFAOYSA-O 440.777 8.750 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccnc5ccccc35)CC(=O)O4)C2=O)cc1 217759475 XHQWTGPOCVGBEE-ZJVWCJDDSA-N 449.462 5.301 30 50 IKEA biogenic Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)CCC[C@H]43)C2)cc1 253597585 DJKUHJBPRWSFHW-ZGXJCFJZSA-N 430.654 6.502 30 50 IKEA N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CCc2ccccn2)c1 1160511 ZOCXOGCTSFVDBW-UHFFFAOYSA-N 435.552 6.142 30 50 IKEA CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](C#N)[C@@]2(O)C1 253613863 IKAYYSYGCHKPAB-RVDMBQLFSA-N 443.716 6.987 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]([N+](=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C 257348221 CKRLTARSGDZFIB-QHRUMTEMSA-N 431.661 6.932 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 4064675 GTAYUCKXHAMCRM-DJUQAAIZSA-N 446.550 6.828 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccccc2)cc1 18324465 CHAKSZGALGQIOW-KMRXNPHXSA-N 438.527 5.616 30 50 IKEA Cc1ccc(S(=O)(=O)N(SN(C)/C=N/c2ccc(Cl)cc2C)C(C)(C)C)cc1 71770456 ALSQDQBTDAMPLB-HYARGMPZSA-N 440.034 5.601 30 50 IKEA CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100046937 WRYIIOKOQSICTB-UHFFFAOYSA-N 432.264 7.476 30 50 IKEA in-vitro CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 672256 KUVCTWBIVUECOM-WHLCRQNOSA-N 440.543 6.073 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)o2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 821075 BMNWLYWOLFZPFA-HRFSGMKKSA-N 445.559 5.826 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 4180917 UZCIMOZMIPOQJY-QFIPXVFZSA-N 439.353 5.612 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(-c2ccccc2)cc1 9331651 QWNPCODHPVHDLX-ZMOGYAJESA-N 425.344 6.090 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)cc(Cl)c1O)C1=C(CC(C)(C)CC1=O)N2 9465434 NXGKLYDNEOFGNI-NRFANRHFSA-N 431.363 6.538 30 50 IKEA O=C(/C=C/c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 12311324 PZJIBQIIMGYKNA-MDWZMJQESA-N 448.291 5.993 30 50 IKEA CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 13568633 NHFCPFSRZFVRAF-WIYYLYMNSA-N 447.575 5.396 30 50 IKEA COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 16192377 SYYOATDWOHRCOI-WZUFQYTHSA-N 437.835 5.372 30 50 IKEA CCCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 64858452 BQGDABPKKGFABQ-QXMHVHEDSA-N 431.661 7.445 30 50 IKEA in-vitro CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 245253981 WVXXEBLHRGPWQV-KUWSSDOMSA-N 446.635 6.498 30 50 IKEA CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(N=C(O)Cc2cccs2)n1 328591441 XABQLSDYWKZMKC-NRFANRHFSA-N 445.585 5.573 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 1772820400 CTSXUIWIOTUWDC-JXOFSKAMSA-N 442.728 6.996 30 50 IKEA C/C(=N\O)[C@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 1857526833 DSFGOUABGWEHRO-KLPDNTNBSA-N 449.591 5.772 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 709466 HBJPZHCWYVMFSK-CPJLOUKISA-N 445.906 6.228 30 50 IKEA COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)ccc1OC(C)=O 1069565 GQOFYBAAFMYZIF-XMMPIXPASA-N 428.488 5.042 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 4199803 WDXYBELJSVHFQV-ASSNKEHSSA-N 442.393 5.336 30 50 IKEA Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C 100971578 ZRCJIXRZXOCBDR-PSCYQSDVSA-N 429.545 5.468 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]12C 257348658 HVEXIRSOIACQFA-UPBWCNJYSA-N 430.677 7.378 30 50 IKEA CCCCCCCn1c(=O)c(C(=O)Nc2nc3ccc(C)cc3s2)c(O)c2ccccc21 299738302 RZLVMARTKAKGKZ-UHFFFAOYSA-N 449.576 5.848 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC 709639 YSPATPBMNCXEOI-DWXRJYCRSA-N 427.504 5.078 30 50 IKEA CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 815808 TZUWKRAYJMAJJN-NSYGIPOTSA-N 430.529 5.653 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 2772130 VWUKHNZLIVHJRM-HSZRJFAPSA-N 425.544 5.696 30 50 IKEA C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccccc2c1=O 2840461 KFHWGXHBYJLNJS-UHFFFAOYSA-N 427.529 5.040 30 50 IKEA CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 3216108 BQQHJYDVOZTUBE-UHFFFAOYSA-N 441.955 6.438 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)SC1=S 13895859 CQZFZPYXZWRERE-KGENOOAVSA-N 425.575 5.360 30 50 IKEA CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@]34O[C@@H]4C[C@H]2C1 257350339 WKPPTKDUKHFXEE-IUJDGSGRSA-N 428.701 7.276 30 50 IKEA O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc(=O)c3ccccc3o1)Nc1ccccc1N2 711585 KBXAJVANAVAWLX-HAWMADMCSA-N 440.524 5.834 30 50 IKEA CCCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2390247 XKBYNATYMHDUDL-UHFFFAOYSA-N 426.354 6.792 30 50 IKEA O=C1c2ccccc2/C(=N/N=C2CCCCC2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 102320255 CULXSTLNPHOSFZ-WUZNOGLBSA-N 434.539 6.010 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1184509 XWIKZAASTVWJOU-HRAATJIYSA-N 427.591 5.370 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 8221060 IUJAMGNYPWYUPM-UHFFFAOYSA-N 436.853 12.339 30 50 IKEA endogenous,in-man COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC 709672 BMGCNEXJQXCUPY-QYBDOPJKSA-N 427.504 5.078 30 50 IKEA N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(I)cc3)cc2)cc1 1225239 FJNHNIGENKJYKG-UHFFFAOYSA-N 440.240 5.207 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 2055130 MZGLMJVWCWYORV-FQEVSTJZSA-N 448.390 6.083 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 4060365 NEPCHUHGUTUJFW-CLOONOSVSA-N 431.532 5.010 30 50 IKEA CCCCOc1ccc(C2=CC(OB(F)F)=C(C(C)=O)[C@H](c3ccccc3OC)C2)cc1 169805619 STCWZBZSGLBIOO-QFIPXVFZSA-N 440.295 6.229 30 50 IKEA CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253501614 NKJYZYWCGKSMSV-XUESUMGVSA-N 442.640 6.360 30 50 IKEA CN1/C(=C/N=C2C(=O)C=C(N3CCc4ccccc43)c3ccccc32)C(C)(C)c2ccccc21 334156993 XTARLDHTHIAOSF-DIUWSDNBSA-N 445.566 5.731 30 50 IKEA CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 714063 PRXHHVROIKDXSY-HHHXNRCGSA-N 427.544 6.557 30 50 IKEA COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1O 795660 TUOCHJKUFIMDRA-AREMUKBSSA-N 440.499 5.218 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 2844515 HSRHEDXSOZKCBK-BTYIYWSLSA-N 445.437 5.223 30 50 IKEA O=C1/C(=C/c2cccc(Br)c2)CCCC/C1=C\c1cccc(Br)c1 4547120 CNSXFVWMPXOOIB-JYFOCSDGSA-N 446.182 6.822 30 50 IKEA Brc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 8927037 CYWAKAIZJBYRED-PCLIKHOPSA-N 429.321 6.019 30 50 IKEA CC[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1 17096267 ZRNPRINBFFCLDN-WBILBPDKSA-N 429.029 6.730 30 50 IKEA Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N/N=C/c2ccccc2)n1 16513078 ZIBBHUVCELLXFU-MFKUBSTISA-N 445.320 5.725 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253500189 YSSYRCSUIQKJPD-SNUVQQOMSA-N 444.700 7.651 30 50 IKEA biogenic CC(=O)O[C@]12C[C@@H]3CC[C@H]4[C@H](CC[C@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)[C@@]3(C)C[C@H]1O2 257350329 WJIXKJVODIQPNM-VRNHRVQZSA-N 444.700 7.376 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 2597712 BWOZGKJWHSAGAP-ZMOGYAJESA-N 427.888 5.019 30 50 IKEA C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 19800535 BBABVYNQFCBUHX-CPNJWEJPSA-N 437.977 5.580 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 626646 CIBONHSIKNWTJP-FQEVSTJZSA-N 434.363 5.837 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1OC 709953 CCSSORKAWNHSNJ-MYUZEXMDSA-N 444.506 5.822 30 50 IKEA Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1197991 HWDIOQVTFRUWJI-DKUDOZJNSA-N 440.455 5.086 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)NC1=NN(c2ccccc2)C(=O)C1 60272634 KIZIRRWZTGNUCT-KTKRTIGZSA-N 439.644 6.891 30 50 IKEA Clc1ccc(-c2nc(NN=Cc3ccc(Br)cc3)c3ccccc3n2)cc1 252679275 KFLRDOVYKKZXMY-UHFFFAOYSA-N 437.728 6.159 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 666619 IYGDBOCEZSZGLS-XMMPIXPASA-N 436.596 5.233 30 50 IKEA C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 755587 ASKWCVANZBJACO-SIKLNZKXSA-N 443.410 6.037 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 8413269 YAMQNFIPIVPJBW-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1 18057033 RFGAFOURCLUOMA-HRFSGMKKSA-N 442.946 6.261 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccsc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 18059749 MZPAAWHGHGFLMU-HXOBKFHXSA-N 445.544 5.045 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 38791777 WKTIGYIYJKESCJ-JJWMBMNSSA-N 430.673 6.095 30 50 IKEA in-vitro N#CC1(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 247754979 VUAKNUODZRBLQK-ZLNRFVROSA-N 441.943 5.686 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3/C(=N\[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257350184 VIIVBTDLDAKMPX-SFLGXHSWSA-N 430.677 7.740 30 50 IKEA CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 808704 RYGONUJZKYOZNN-MMTVBGGISA-N 440.543 6.073 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9241267 GRPZPOJIPMCRJD-HXUWFJFHSA-N 439.298 5.167 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19643581 GSKDVKZRDSPPOD-BCHFMIIMSA-N 445.534 5.673 30 50 IKEA CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 20617987 MJDZEELREFPXNM-LSHDLFTRSA-N 449.319 5.621 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1)[C@@H]1CC[C@@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3 257349210 MNPFRDKDRKYDAA-VXVRWMISSA-N 442.684 7.283 30 50 IKEA C/C(=N\O)[C@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C 1857526836 DSFGOUABGWEHRO-ZODHYQTASA-N 449.591 5.772 30 50 IKEA COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1F 1074531 XDKMKSMRMGPQFU-GKVSMKOHSA-N 449.522 5.148 30 50 IKEA CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 9236058 YKQAWPGEECCHEK-QHCPKHFHSA-N 426.516 5.158 30 50 IKEA O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 16310689 GHFUFOIOKPPCCM-LPYMAVHISA-N 426.270 5.382 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 118916260 UILXPFRZQGQVFT-WHANSCQRSA-N 442.546 6.174 30 50 IKEA biogenic COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 629453 MIPQXBIRHIEEEJ-JOCHJYFZSA-N 425.912 5.377 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)N(C(=O)C1CC1)c1ccccc1N2 4035911 MIWCWTRTLAOELW-IDISGSTGSA-N 435.527 5.392 30 50 IKEA COc1cc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)ccc1OCc1ccccc1 9088298 UHJOYOBMIXYUGW-MFKUBSTISA-N 446.532 5.086 30 50 IKEA CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)cn1 13960151 FBGHOXLBRYRLJO-OAHLLOKOSA-N 441.560 5.428 30 50 IKEA CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 16361193 PJJAFTPIZNPITC-KRWDZBQOSA-N 429.973 5.126 30 50 IKEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 20617912 CKTDDALBOXHIIJ-ZVBGSRNCSA-N 435.292 5.188 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 27532735 IDVCFAKZRPSEMC-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 781132 COCBLBSQRYDPIB-XRHLQHRESA-N 426.516 5.683 30 50 IKEA N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 1120972 LOPVJMSFQKBHKZ-UHFFFAOYSA-N 448.349 5.256 30 50 IKEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2O)cc1 2592322 ZCJSKXOSCPDSOI-SRZZPIQSSA-N 431.359 5.255 30 50 IKEA Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)c(C)c1[N+](=O)[O-] 2760723 XIVTXNQMJZEHSY-UHFFFAOYSA-N 443.573 5.199 30 50 IKEA C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 3003753 XLWNPURBOBLHTK-UHFFFAOYSA-N 440.834 5.863 30 50 IKEA COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 704876 QFKNQERRCUOCAT-UHFFFAOYSA-N 430.928 5.454 30 50 IKEA Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 15016486 PSVJVXWGNGKFHY-ODLFYWEKSA-N 439.880 5.708 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)cc1)OCO3 816100 ZFPBFTKDRPSHOB-FQEVSTJZSA-N 426.310 5.378 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1O 13568532 LXXCBZMSVOQMKD-BZQUYTCOSA-N 446.934 6.034 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1 18068443 BFVILGZACDUFHH-DCFHFQCYSA-N 438.527 5.899 30 50 IKEA N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(Br)cc3)o1)CCCCC2 19840935 QJSLORZWWZTGMO-UHFFFAOYSA-N 438.325 5.406 30 50 IKEA O=C(/C=C1\Nc2ccccc2N\C1=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100330993 BYFFOBTUCVRBOH-JZTLMNBPSA-N 435.310 6.364 30 50 IKEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O 263586593 WAORZBROFWIQDM-SJJOQSKNSA-N 434.394 5.031 30 50 IKEA biogenic COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 879516 OJORBFXDDLUACH-UHFFFAOYSA-N 443.450 5.378 30 50 IKEA COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)ccc1OCc1ccccc1 2834975 IDHVZPHIXKUNDK-STZFKDTASA-N 447.581 6.178 30 50 IKEA CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)c(Cl)c1 101017749 ZQWSSTSVUYICSB-UHFFFAOYSA-N 431.086 6.881 30 50 IKEA CCCCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccc(Cl)cc3)c2C#N)cc1 19337684 MGZHKQRTYQEZAS-UHFFFAOYSA-N 448.979 6.199 30 50 IKEA CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 1875390511 KJCIEPRMJJUJPF-NYQXDEMOSA-N 445.695 7.625 30 50 IKEA COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC 681095 MPKRNEJXJDFNLB-RUZDIDTESA-N 447.962 6.820 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccccc1 9482800 XTWVDJOJCIAWDK-XMMPIXPASA-N 438.531 5.930 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 18155898 AUGPVCVOLVUIRU-NSYGIPOTSA-N 432.907 5.854 30 50 IKEA CCCCCC/C(=N\OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccccc2)cc1 38811215 LOCXTTRLSIDGPS-AZPGRJICSA-N 445.584 7.204 30 50 IKEA O=C1C(c2ccccc2)=C(c2ccccc2)N/C1=C\C(=O)c1ccc(Br)cc1 2305416 OAWZWXUFVBUOMH-HKWRFOASSA-N 430.301 5.257 30 50 IKEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 6394510 OLJRMDRLLOHXIE-JWGURIENSA-N 443.524 5.419 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4c(Cl)cccc4Cl)c3c2C1 12561337 ZMUWKRLESJFUPP-VHAYKOJPSA-N 447.435 6.985 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1 16400032 KEJRJGNMQKDEMN-UHFFFAOYSA-N 447.869 6.023 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 18324590 KFMRSICDARYYBV-UZTOHYMASA-N 426.516 5.683 30 50 IKEA CC(=O)C1=C(OB(F)F)C=C(/C=C\c2cccc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 169805577 KVTGWTNRUPEWOV-KKHYBRAUSA-N 433.090 6.904 30 50 IKEA N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 229948917 CPTZNPORQSWBKT-SNHGZMDHSA-N 428.598 5.525 30 50 IKEA Cc1ccc([C@H](O)c2ccccn2)cc1N=C(O)C[C@H](C)c1ccc(C(F)(F)F)cc1 328591507 NOJSUQRFZNVUIH-HJPURHCSSA-N 428.454 6.272 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@H]4CC4(F)F)cc3)n2)cc1OC 2325866306 HCYHGXZRWUHLBE-IAGOWNOFSA-N 440.471 5.440 30 50 IKEA COc1cc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 1215701 ZCEACTMKSLSULO-XHCCPWGMSA-N 426.516 5.689 30 50 IKEA Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 15769692 HJWJEHRGWLNEIU-ZXYASIKESA-N 440.455 5.086 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 631008 GVFVTHRQZMBLLI-DXPJPUQTSA-N 444.918 6.048 30 50 IKEA Cc1cc(C)n(C(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)n1 755433 BKOKBSOMVXXOEB-UHFFFAOYSA-N 448.548 5.734 30 50 IKEA COc1cc(/C=N/NC(=S)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 2543732 CRUWHEOHYLWAPL-AFUMVMLFSA-N 439.968 5.557 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccc1N2 9264214 GIXZSSHMMHVCAO-HSZRJFAPSA-N 433.895 6.145 30 50 IKEA CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br 710622 DREGCMXRRNUOIK-ZUOKHONESA-N 446.385 5.395 30 50 IKEA CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1 4794518 HDUMIDJOVSEWSL-OAQYLSRUSA-N 437.536 5.312 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 17163301 VUJKUSLQOGJVTJ-RUZDIDTESA-N 447.535 5.784 30 50 IKEA CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 72118116 ZOPNBMMVVZRSGH-NRFANRHFSA-N 438.445 6.533 30 50 IKEA in-vitro CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(F)cc1 9044081 GXCUYFSLMHNBHP-HXUWFJFHSA-N 432.417 5.531 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F)c1ccccc1 9993329 PESMSLZLKCJSHT-FQEVSTJZSA-N 430.460 5.218 30 50 IKEA Cc1ccc(S(=O)(=O)NN=C2C[C@]34CCCCCCCCCC[C@@]3(CC(=O)C4)C2)cc1 101053914 HEXSWHUJJPULAI-DQEYMECFSA-N 444.641 5.673 30 50 IKEA CC(C)(C)c1ccc(-c2nnc(S)n2N=C/C(Br)=C/c2ccccc2)cc1 252429477 TYPNHNNGNDVJIU-LEGYYREDSA-N 441.398 5.801 30 50 IKEA CC(=O)n1cc(/C(N=Nc2ccc(Cl)cc2)=N\Nc2ccccc2)c2cc(F)ccc21 952852968 BLXKWNIHQZENBW-WOCKTYBYSA-N 433.874 6.652 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1070627 VPXIKURZVDVKSA-AOMKIAJQSA-N 441.980 5.715 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C(C)(C)C)cc1 2446836 RJGPKGONOZJSLG-UHFFFAOYSA-N 434.609 5.776 30 50 IKEA Oc1nc2cc(Cl)ccc2nc1/C(=N/Nc1ccccc1)[C@@H](O)c1ccc(Cl)cc1 5400651 OWDXJEXIUNKQIO-UEKFQANFSA-N 439.302 5.192 30 50 IKEA C/C(=N/Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 12342936 OTFDOAQIYKSQAL-NTFVMDSBSA-N 427.439 5.694 30 50 IKEA O=C1ON=C(c2ccccc2)/C1=C\c1ccccc1OCc1ccc(Br)cc1 101074827 MFSNZNWQDYIEIF-XSFVSMFZSA-N 434.289 5.373 30 50 IKEA CCCCCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 101124529 IBGWKDNLDLBHBC-KNTRCKAVSA-N 435.611 5.492 30 50 IKEA Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 217412862 JAHNEERZSBIKFN-UUOOZVGWSA-N 433.382 7.879 30 50 IKEA O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)c3ccccc3)cc1N2 669927 KQWSHJJCECJSCG-VWLOTQADSA-N 439.471 5.412 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 717194 FOXLSVCGCITMAQ-VBKZILBWSA-N 447.478 5.302 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cccc(C)c2C)SC1=S 2873998 QDYLZCQSMVGDKE-CJLVFECKSA-N 439.602 5.539 30 50 IKEA CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4047854 AGQNVTZMIXEHKC-ZTOMLWHTSA-N 437.587 6.512 30 50 IKEA C=CCN1C(=O)[C@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 9046354 XBTHNDWNMHJLBQ-JYFHCDHNSA-N 441.918 5.269 30 50 IKEA Cc1cc(C)nc(/N=C(/N=C(\O)C(C)C)Nc2cc(Cl)ccc2Oc2ccccc2)n1 18136795 KHDQOOOELMMNJI-UHFFFAOYSA-N 437.931 6.251 30 50 IKEA Cc1cccc(Cl)c1OCc1ccc(/C=N/n2c(S)nnc2-c2cccs2)o1 20617955 NNOSCIQTJDAIIT-UFFVCSGVSA-N 430.942 5.311 30 50 IKEA C=C(C)Cn1c(SCC=C(C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3 2049386249 ZWJBTYOPCGVZIP-UHFFFAOYSA-N 429.010 6.034 30 50 IKEA C=CCNC(=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1 17282221 BCCVPYSEHREEFF-FCQUAONHSA-N 448.975 5.533 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2cc(C)cc(C)c2)SC1=S 22229053 FVORODWENYSOJG-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500124 XDVHIXRJLWUKRR-ZPQAWTAASA-N 440.624 6.136 30 50 IKEA biogenic O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)c3ccccc3)ccc1N2 681767 JRAKLIMXZQJKME-VWLOTQADSA-N 439.471 5.412 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1OC 709634 SQPJLGCMLIETMA-QLXKLKPCSA-N 446.572 6.053 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC 720130 SUQRXGNRUNKAAR-OYLFLEFRSA-N 432.545 5.745 30 50 IKEA Cc1c(Cc2ccc(Cl)cc2)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N 638106 VJZFKVHCGJMKLR-UHFFFAOYSA-N 437.934 5.919 30 50 IKEA CCOc1ccc(/N=C/c2c(Nc3ccc(OCC)cc3)nc3c(C)cccn3c2=O)cc1 1214481 KJDVQKRWGAXFOM-WPWMEQJKSA-N 442.519 5.295 30 50 IKEA CCCCCOc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 16663461 CROQEAYCVFSDRH-VFCFBJKWSA-N 437.547 6.221 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCCCBr 140215626 DDEOKNGWYRTQDY-UHFFFAOYSA-N 431.587 10.374 30 50 IKEA COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 1188162 UVUVLJWDSBSJMD-UHFFFAOYSA-N 425.481 5.004 30 50 IKEA C=CCOc1ccc(/C=C2/CC/C(=C/c3ccc(OCC=C)c(OC)c3)C2=O)cc1OC 16213767 OGZFDKQGRDZPER-BMJUYKDLSA-N 432.516 5.663 30 50 IKEA CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 20175985 JXVXKLQLAMETLE-ZVHZXABRSA-N 448.504 5.628 30 50 IKEA Cc1ccccc1C(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 2071612 MJLKQVLUJLZLEN-SFHVURJKSA-N 442.799 5.345 30 50 IKEA Oc1ccc(Br)cc1/C=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 16310105 PSELOPJOFOUHGR-MYYYXRDXSA-N 445.320 5.725 30 50 IKEA Cc1ccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1 1079540 WDFVSFCLKSKLFR-SFHVURJKSA-N 428.359 6.466 30 50 IKEA S=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)Nc1cccc(Cl)c1 2542628 FKNVATUTZBGTCZ-ZMOGYAJESA-N 430.360 5.893 30 50 IKEA C=CCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC 2838275 KCEDJYXLUYSYDD-UHFFFAOYSA-N 443.712 5.439 30 50 IKEA CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)ccc21 4062268 YINWYWNTGNNZFR-MUUNZHRXSA-N 435.571 7.036 30 50 IKEA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 27547481 YGEOQAWOJJVWSR-NRFANRHFSA-N 444.428 5.451 30 50 IKEA CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253537477 DOMWKUIIPQCAJU-ZHSJGXMJSA-N 428.613 5.970 30 50 IKEA Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1197983 HWDIOQVTFRUWJI-ZXYASIKESA-N 440.455 5.086 30 50 IKEA COc1ccc(OC)c(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)c1 2825014 OLVQEPYPKVCBKT-JXKYSLRESA-N 444.556 6.129 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccnc2)cc1 4035915 CQFWKIXFDAHDJB-DWACAAAGSA-N 449.554 5.701 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccco1 18148523 PSGCIEYNZHQEKN-DEOSSOPVSA-N 443.572 6.293 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]12C 257350703 ZJFYDPFCQFKJHC-GKLMFWPISA-N 430.677 7.740 30 50 IKEA CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 672251 KUVCTWBIVUECOM-GDJIYFAZSA-N 440.543 6.073 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(OC)cc1 1112499 XODYDTWNISKSTM-UHFFFAOYSA-N 430.533 5.024 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2775344 ZFAYHMDKIHHFJC-KOSHJBKYSA-N 435.951 5.655 30 50 IKEA C=CCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 6054353 XEBUKTNTMJPBNP-ATVHPVEESA-N 446.391 5.918 30 50 IKEA CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)c(OC(C)C)c(Cl)c1 8829908 BLHUVRPHLDLWRE-LJQANCHMSA-N 435.376 5.300 30 50 IKEA aggregator COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1 16426531 WXNCEAQGONUWPI-CBZJRKILSA-N 444.506 5.822 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@@]12C 257358971 XRLBQELEYBVDHJ-SJMILKLISA-N 444.612 5.265 30 50 IKEA O=C1CCCC2=C1C(c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)C1=C(CCCC1=O)O2 1156874 ZYLDEVSRPIGTEK-UHFFFAOYSA-N 445.471 5.302 30 50 IKEA C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 1159549 QDQJGPMGBNWOST-WQRHYEAKSA-N 446.937 5.214 30 50 IKEA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)c1 2553513 BXFYKVKEXOBKLH-WPWMEQJKSA-N 445.588 5.498 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 4077984 NNEXSNHINRWDGU-CPJLOUKISA-N 435.354 6.973 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccncc1 5945455 VFPAKCGPAXNMFZ-UHFFFAOYSA-N 426.560 5.972 30 50 IKEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1OC 9087753 QFAIFCOJESFSFW-QFIPXVFZSA-N 449.890 5.140 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 12648749 YLNFDTSZCDVHIG-MRDQGFSESA-N 446.934 6.244 30 50 IKEA C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 33399271 VTVZBJAINPBAPU-LPSQUVOTSA-N 449.963 5.663 30 50 IKEA CN1[C@H](c2ccccc2)C[C@H](/N=C\c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 245328612 VOXJOUOUCQMCPD-RGIDEFTMSA-N 430.595 7.076 30 50 IKEA CN(C)c1ccc(N=C2C(c3ccccc3)=CC(c3ccccc3)=C2c2ccccc2)cc1 252427716 DAMNZEXCJWTEKJ-UHFFFAOYSA-N 426.563 7.533 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257349386 NTPNMXXOGUTKLZ-HMIARGRASA-N 431.661 6.932 30 50 IKEA C=CCn1nc(-c2ccc(N3CCc4ccccc43)cc2)nc1[C@H]1C[C@@]1(C)Br 1875348952 IGZSFHMYXACAOK-AUSIDOKSSA-N 435.369 5.466 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@H]4CC4(F)F)cc3)n2)cc1OC 2325866305 HCYHGXZRWUHLBE-DLBZAZTESA-N 440.471 5.440 30 50 IKEA C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 3000036 DCFTYIGRTLMJLM-UHFFFAOYSA-N 438.951 5.752 30 50 IKEA CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 8779956 JKHGYJATRXVMIK-VWLOTQADSA-N 444.575 5.636 30 50 IKEA CCOc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 22064625 ZPQSHBUBRJJJCC-HXNPFYCNSA-N 428.557 5.758 30 50 IKEA C#CCCC1(CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C(=O)OC)N=N1 2325894935 YXDZMALSFZWUGJ-UHFFFAOYSA-N 425.872 5.213 30 50 IKEA Cc1cccc(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3cccnc3)C3=C2CCCC3=O)c1 1124485 FSEAJXXMNHSWOK-DEOSSOPVSA-N 435.527 5.054 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1cccs1)c1ccc(Br)cc1 9108663 WHQPRQLQICMUCV-CMDGGOBGSA-N 431.282 5.765 30 50 IKEA O=C(c1ccc(F)cc1F)N1CCC(C(O)=Nc2csnc2-c2ccccc2)CC1 328596637 KGIOMXASEFSRJL-UHFFFAOYSA-N 427.476 5.229 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 626990 QLGIRFMZNCMVCP-RUZDIDTESA-N 445.559 5.433 30 50 IKEA Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1 978549 SYKTYFQDXHJDJR-UHFFFAOYSA-N 439.540 5.597 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1204416 LMWOXDKLWIKHDC-NRESZANFSA-N 429.447 5.017 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 8973174 LGCLOXHLFLSDOV-UUOWRZLLSA-N 437.926 6.035 30 50 IKEA Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2)Nc2ccc(Cl)c(Cl)c2)n1 9065449 GTNUJWHLVLPMIB-UHFFFAOYSA-N 445.379 5.677 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(O)cc1 9246680 UHKFJYFVMFKIQX-SANMLTNESA-N 438.527 5.845 30 50 IKEA CN(C)c1ccc(CN(Cc2ccco2)c2oc(-c3cccc4ccccc34)nc2C#N)cc1 170623784 NSLHPNMEPMSXJX-UHFFFAOYSA-N 448.526 6.232 30 50 IKEA O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1Cl)c1ccco1 9019336 YRDUOAPDUSVMOY-VQHVLOKHSA-N 431.669 5.811 30 50 IKEA COc1ccc(-c2csc(N(/N=C/c3ccc(F)cc3)c3ccccc3)n2)cc1OC 25560543 UALKZGMNLYCEEH-CVKSISIWSA-N 433.508 6.139 30 50 IKEA Cc1c(CCC#N)c(Nc2ccc(Br)cc2)n2c(nc3ccccc32)c1C#N 25783371 UJVAMVWZUFFIKX-UHFFFAOYSA-N 430.309 5.630 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc3ccccc23)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 254487167 SDLIEYULIJAVBE-GSDHBNRESA-N 431.539 5.982 30 50 IKEA O=C1C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)c2ccccc21 1152268 KMAYFHYAGXSBSF-UHFFFAOYSA-N 437.264 5.630 30 50 IKEA CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 4065121 HFWYMXXBUFGSLR-XHCCPWGMSA-N 444.962 6.718 30 50 IKEA Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1Cl 16267632 MYYLKXGYMBOLAX-ODLFYWEKSA-N 439.880 5.708 30 50 IKEA COc1ccccc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2ccccc2OC)C1=O 20115391 QETQTKNXDBHZSW-MUPYBJATSA-N 425.528 5.256 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 709462 KFDGLDPNDVLWLR-IVCQMTBJSA-N 445.906 6.228 30 50 IKEA O=S(=O)(OC[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 3136945 MOUWCLXELLTTIT-IBGZPJMESA-N 431.351 5.181 30 50 IKEA N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(=O)NCc1ccccc1 8809556 JDDYMUGBHUNKIB-UHFFFAOYSA-N 441.581 5.757 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@H]2c1cccc(Oc2ccccc2)c1 17195158 LJOHDXCOSBONGV-IBGZPJMESA-N 445.544 5.838 30 50 IKEA N#Cc1ccn2c(C(=O)c3ccc(-c4ccccc4)cc3)cc(C(=O)c3ccccc3)c2c1 19833832 DJIUXFUTQHIOBU-UHFFFAOYSA-N 426.475 5.940 30 50 IKEA C/N=C(/O)[C@@H]1CCCc2sc(/C=C/c3ccc(OCc4ccccc4)c(OC)c3)nc21 328589755 WRNCLRBJTOMSFM-XYDKVEKUSA-N 434.561 5.907 30 50 IKEA O=C1CCCC2=C1C(c1ccccc1OCc1ccc(Cl)cc1)C1=C(CCCC1=O)N2 1158348 BMXSMKKJGLFNFJ-UHFFFAOYSA-N 433.935 5.620 30 50 IKEA COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 8836542 RQAYOPCVMZJAMY-PKNBQFBNSA-N 437.835 5.372 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(OCC(=O)O)cc1 8854817 ZPHDEPJPUHFYBR-SANMLTNESA-N 427.500 5.613 30 50 IKEA Brc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccccc3)n2)cc1 8927094 DODLVKDMATVLFP-PCLIKHOPSA-N 429.321 6.019 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OCC)c2)SC1=S 13940850 YAHOOWRCMBPIFH-KGENOOAVSA-N 425.575 5.360 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1184783 XXKWQIVCAMYFML-UZUQRXQVSA-N 439.552 5.448 30 50 IKEA C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 2861754 RJPBTZFJAQJMLE-MRXNPFEDSA-N 426.973 5.209 30 50 IKEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)c1 9559873 ZYDCFFHSFVTXPW-SJKOYZFVSA-N 446.330 5.015 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 18155903 AUGPVCVOLVUIRU-GKVSMKOHSA-N 432.907 5.854 30 50 IKEA COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccs1 781598 CPBIHIHWHZSILW-VOIUYBSRSA-N 437.561 5.070 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 1155931 GAPWZHICPGVRHT-DEOSSOPVSA-N 447.531 5.027 30 50 IKEA CCCCCCCOc1ccccc1-c1nnc(SCC(=O)O)n1-c1ccccc1 2875643 XYWAREBTPSADLQ-UHFFFAOYSA-N 425.554 5.460 30 50 IKEA CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 3000176 MXSZTDHPHPAARP-UHFFFAOYSA-N 430.928 5.656 30 50 IKEA CCCCCCCCCCCCSc1nnc(SCn2nnc3ccccc32)s1 8384764 TVJDLIGRBLSYTO-UHFFFAOYSA-N 449.715 7.046 30 50 IKEA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C#N 14009644 DYWJKEXIFYRURG-BUVRLJJBSA-N 437.499 5.342 30 50 IKEA COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)ccc1OC(C)=O 1069568 GQOFYBAAFMYZIF-DEOSSOPVSA-N 428.488 5.042 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1123525 BHOVGMRNGZGRNQ-BCHFMIIMSA-N 425.488 5.883 30 50 IKEA N#CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 2060614 DNNBYDAITZOXQL-UHFFFAOYSA-N 433.621 5.864 30 50 IKEA biogenic C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)cc(C)c2)SC1=S 2882493 LIDZDXPZFZJSBX-CJLVFECKSA-N 439.602 5.539 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S[C@@H](CCC1CC1)c1ccccc1 2981287 CVDRPHRLIKSYGK-QHCPKHFHSA-N 438.518 7.663 30 50 IKEA Cc1sc(NC(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)c(C#N)c1C 6428708 JXJTVKIJMDHEPL-UHFFFAOYSA-N 432.936 6.061 30 50 IKEA N#Cc1c(N[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)sc2c1CCCC2 19881068 JGVNLFXVTHMFCW-QFIPXVFZSA-N 449.963 5.203 30 50 IKEA Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1Cl 170619957 PUBOUOMYFKEKMT-XYOKQWHBSA-N 436.313 7.552 30 50 IKEA C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 252430791 KAZZDRRNZVOQBJ-QQCNCCSXSA-N 441.402 7.030 30 50 IKEA CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(I)c1OC 649687 HERMCXVZVCSPNV-YBEGLDIGSA-N 438.286 5.028 30 50 IKEA CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br 710620 DREGCMXRRNUOIK-XCLFUZPHSA-N 446.385 5.395 30 50 IKEA COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(Br)cc1 8431163 ZXOVSPPEKNYKJJ-XPUQUNOQSA-N 439.353 5.274 30 50 IKEA CCOC(=O)c1sc(NC(C)C)nc1CSc1nc(C(F)(F)F)cc(C)c1C#N 20607347 WRWMDGRSCPHZOI-UHFFFAOYSA-N 444.504 5.026 30 50 IKEA C=CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N/N/C(O)=N/c1ccccc1 102302909 FRDLAGRDCPPIOK-AZPGRJICSA-N 426.545 5.721 30 50 IKEA CN(C)/C=C/C(=O)c1cnc(N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)s1 221581275 XZAXSKIJIDEQSW-VAWYXSNFSA-N 445.466 5.398 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1c(F)cccc1Cl 1130018 CCPSBZYGMFJUEL-PSLXWICFSA-N 443.877 5.153 30 50 IKEA CCn1c2ccccc2c2cc(/C=N/N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21 1580331 KCJZDFJMCCVCNA-GKTLAHRSSA-N 442.566 7.395 30 50 IKEA C=CCN(CC=C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(CC=C)CC=C)cc2)cc1 19911618 CZZUSEGIHHQRBY-UHFFFAOYSA-N 444.579 5.689 30 50 IKEA Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 252625887 QRJJEGAJXVEBNE-UHFFFAOYSA-N 429.134 6.118 30 50 IKEA investigational COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1OC 812849 KEJCZAYCFMYQRW-CBZJRKILSA-N 444.506 5.822 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1F 994272 IDEJIUWRQXBXJY-HXUWFJFHSA-N 432.417 5.531 30 50 IKEA Cc1cc(Br)ccc1OCC(=O)Nc1sc(C)c(-c2ccccc2)c1C#N 1787380 RJICDRZRACOCQG-UHFFFAOYSA-N 441.350 5.684 30 50 IKEA Cc1cccc(N/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 6244595 ZNJSEEHHVGJZTA-UHFFFAOYSA-N 429.339 5.005 30 50 IKEA Clc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)c(Cl)c1 9296486 HTVOUBMYUBSZKI-WYMPLXKRSA-N 428.344 6.628 30 50 IKEA C=CCn1c(=O)c(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)c(O)c2ccccc21 170624625 GVEAYMYGRUHMGQ-UHFFFAOYSA-N 446.315 5.062 30 50 IKEA CCCCCCCCCCCCCC[C@@H](OCCCCCCCCCCCC)[C@@H]1CO1 1525673768 SLXJGQQISNMEOA-WDYNHAJCSA-N 438.781 9.783 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC[C@H]1COc2ccccc2O1 851158 PEQIIJIMSHPZBD-OAHLLOKOSA-N 428.435 5.571 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccc(C(=O)c3ccccc3)cc1N2 1202882 VYWNXLFAJOZAHZ-RUZDIDTESA-N 428.919 6.157 30 50 IKEA COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)c1 1434744 CAMUSSBJXLSYGW-QYBDOPJKSA-N 441.487 5.583 30 50 IKEA CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)c2C#N)cc1 2739308 CLPDLIRHZNCABD-SFTDATJTSA-N 434.992 6.881 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S 2847970 JQZSDQWCPXHKOE-JPOGYNCRSA-N 425.575 5.168 30 50 IKEA S=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)NC1CCCCC1 4209599 HXZRKLBIKUDOFD-OEAKJJBVSA-N 446.414 5.159 30 50 IKEA CCCCCCCCCCCCCCCCCC[C@@H]1NC(CC(=O)O)=[N+](CC)[C@H]1O 101683476 JMHNSQADFAHCJD-DHLKQENFSA-O 425.678 5.834 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 1857741698 VOETZVYTDQTIBX-CCIWURQFSA-N 446.588 5.239 30 50 IKEA CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 4199815 LJFKTOGWRXCVAM-VWLOTQADSA-N 429.564 5.306 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 9007825 OOVWIWHLUZYJGQ-YRNVUSSQSA-N 425.799 5.503 30 50 IKEA O=C1CCCC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccc(C(=O)c3ccccc3)cc1N2 9861361 ZUEWCCDXEGVPEP-VWLOTQADSA-N 446.909 6.296 30 50 IKEA COc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1COc1ccccc1Cl 13640491 KCKPOSIZDNSFLY-WUXMJOGZSA-N 444.918 6.009 30 50 IKEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 16447542 JEOYTJHJEPVVGE-WGDIFIGCSA-N 428.463 5.534 30 50 IKEA O=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl 43058489 YNKFZRGTXAPYFD-UHFFFAOYSA-N 446.681 5.618 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(CC)cccc1CC 100856257 RDBFAZBKSRURAG-UHFFFAOYSA-N 444.748 9.194 30 50 IKEA CCCC[C@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@H]2C1(C)C 135984288 WEAZETIELYIGMB-AVIJNYRZSA-N 430.386 5.636 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 709500 KMNOZBRXYDIKND-BVZFJXPGSA-N 434.461 6.685 30 50 IKEA O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 2991719 FBUKWIFOOWKFBS-UHFFFAOYSA-N 440.271 5.145 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Br)s1 9358497 MPJRONGLSGYPDW-UBKPWBPPSA-N 434.171 5.247 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 688808 RBSIDMDQXNRZGZ-HSZRJFAPSA-N 442.481 6.258 30 50 IKEA CCN(CC)c1ccc(/N=C2\C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)c(C)c1 100005380 ZYKBEIDPRRYKKQ-URGPHPNLSA-N 437.543 5.723 30 50 IKEA C/C(CCc1oc2c(Br)cc(Br)cc2c1-c1ccc(C)o1)=N\O 100544709 KVQXCZPUDTWREV-AWQFTUOYSA-N 441.119 6.309 30 50 IKEA Cc1ccc(-c2nn(C/C(O)=N/c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1 1000914 KVSCTYHKDTWJRZ-UHFFFAOYSA-N 437.421 5.679 30 50 IKEA Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)sc1C 1052635 WJIPRCZVZIFPFJ-FQEVSTJZSA-N 430.485 5.289 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 8739493 XSNZQLRHBCSYNV-FQEVSTJZSA-N 432.545 5.532 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1 16426528 WXNCEAQGONUWPI-SOKVYYICSA-N 444.506 5.822 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19634639 USDMBBGSNOGXPP-CUNXSJBXSA-N 441.571 5.924 30 50 IKEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 709469 HBJPZHCWYVMFSK-IVCQMTBJSA-N 445.906 6.228 30 50 IKEA C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc(-c3ccccc3)cc2c1=O 1896246 PTUVHTQLOQYLAU-UHFFFAOYSA-N 446.641 6.901 30 50 IKEA C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2790828 ZXFJQVARNFMMEO-QWHCGFSZSA-N 449.418 5.005 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(C(C)(C)C)s2)C2=C(CCCC2=O)N1 10013790 WPLZZPUOMLGFGI-HSZRJFAPSA-N 438.568 5.791 30 50 IKEA Cc1occc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1 16400340 BVPYNRHZHDUECJ-UHFFFAOYSA-N 429.288 5.061 30 50 IKEA COc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cc1OC 96562024 TZVPFOYIXUBUGC-UHFFFAOYSA-N 428.525 5.190 30 50 IKEA C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C=O)CC[C@]4(C)[C@H]3CC[C@@]21C 238732770 ONRNCDHSZVITNY-TWWFCBCGSA-N 440.712 7.636 30 50 IKEA biogenic,in-vitro Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccc(Br)cc2)cc1 254907328 XWCSFRGVLNKEAW-UHFFFAOYSA-N 429.339 5.309 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OCc2cccc(Cl)c2)c1 627338 XFRREFHWGGKXDH-QHCPKHFHSA-N 437.923 5.060 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1OC 709954 CCSSORKAWNHSNJ-CLYVBNDRSA-N 444.506 5.822 30 50 IKEA O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1Cl 1079880 DEMUMECVKQQPIA-GFCCVEGCSA-N 436.758 5.692 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 1123567 CJXMQLAXIVLDAD-HFJWLAOPSA-N 425.488 5.883 30 50 IKEA C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 1791342 ZLPXLILHGYTHOS-DEOSSOPVSA-N 441.556 5.856 30 50 IKEA C=CCSc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 2504204 XNSMVGXIAJTCIL-AWEZNQCLSA-N 443.569 5.119 30 50 IKEA CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 8432106 AJHDJVAAGJGEJD-MHZLTWQESA-N 446.591 6.419 30 50 IKEA Cc1c(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 13591034 DHWCOHRLBXKPKB-DHRITJCHSA-N 426.303 5.802 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)O)cc1C(=O)O 38151306 XMOQPZLLKNFFIR-UHFFFAOYSA-N 442.618 6.492 30 50 IKEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 263586834 YKCFBZLHKFKMBQ-SJJOQSKNSA-N 448.858 5.111 30 50 IKEA biogenic C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O 1857624613 HESAJDXBMHQLJH-AAHXILENSA-N 445.434 7.293 30 50 IKEA biogenic COC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C 1077950 WTTFEPDTGBBKGA-UHFFFAOYSA-N 425.318 5.489 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3cc(C)cc(C)c3)c2)SC1=S 2874222 HEGQODACNHCOED-CJLVFECKSA-N 439.602 5.539 30 50 IKEA CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 4065173 DYIZXSBIONMLTR-WXTAPIANSA-N 447.003 7.041 30 50 IKEA CC1(C)OB(c2cn([Si](C)(C)C(C)(C)C)c3cc(Br)ccc23)OC1(C)C 169935445 QHNDMVTZNJIIBZ-UHFFFAOYSA-N 436.275 5.556 30 50 IKEA in-vitro CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@@H]12 230138103 WVXXEBLHRGPWQV-IMABZSNASA-N 446.635 6.498 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2Cl)o1 629431 OPWOXWDHDBXTSO-UHFFFAOYSA-N 449.978 6.573 30 50 IKEA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 681891 GLQSVDUEQKXPIZ-CRICUBBOSA-N 445.906 6.228 30 50 IKEA O=C(Oc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 9019335 GAOLPZLKIQWAIE-QDEBKDIKSA-N 425.799 5.503 30 50 IKEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 9295956 WHQNNZJURZYMPD-GDNBJRDFSA-N 436.316 5.243 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 628588 HOEJGLKPFPMWHM-JOCHJYFZSA-N 425.912 5.377 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1183825 DWULHNLCQUHIJD-OYHNWAKOSA-N 427.591 5.370 30 50 IKEA COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2ccccc2Cl)cc1OC 9362743 GKRICMIIILGUKA-JXMROGBWSA-N 440.854 5.612 30 50 IKEA CCN(CC)c1ccc(/C=N/Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)cc1 9461713 TZKRCBPRLXRXGF-ZNUIVASASA-N 449.668 6.525 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1F 9472404 PLILWHSEBIIFHH-FQEVSTJZSA-N 425.843 5.159 30 50 IKEA CCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2[nH]1 101015309 PBSVARYGNXLKEB-UHFFFAOYSA-N 432.674 7.680 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 101022724 IQXXHRLYVWKNRM-UHFFFAOYSA-N 439.040 8.448 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1C(F)(F)F 1127595 ALEVSAGTMVIFJA-ZUOKHONESA-N 447.478 5.302 30 50 IKEA Clc1ccc2c(-c3ccccc3)nc(N/N=C/c3cccc(Cl)c3Cl)nc2c1 252478502 AOEVQRFMFMSCIC-BRJLIKDPSA-N 427.722 6.703 30 50 IKEA C=C(CN1Cc2ccccc2-c2ccccc2C1)C(=O)N[C@H](c1ccccc1)c1cccnc1 2325826330 YQEDXEUOCFONOE-GDLZYMKVSA-N 445.566 5.526 30 50 IKEA COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 6239651 PHEASQZZEASOHK-QFIPXVFZSA-N 449.890 5.140 30 50 IKEA Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)c1 18119519 RKGPZXKLJQNHEY-SKWYYERQSA-N 443.572 5.464 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)C[C@@H]12 20607798 SZBWKZHLROZHJQ-UAXVYIRVSA-N 432.560 5.831 30 50 IKEA Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1179058 FHDWDEJFAWUXBB-USXRGHEGSA-N 440.455 5.086 30 50 IKEA COc1cc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 1264572 YPADTQSWVQUGSH-RUZDIDTESA-N 436.552 5.551 30 50 IKEA C#CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 2117663 YZSOSKAUPLGZRA-UHFFFAOYSA-N 442.584 5.391 30 50 IKEA biogenic CCn1c2ccccc2c2cc(/C=N/n3c(S)nnc3-c3ccc(Cl)cc3)ccc21 2199147 GQIBEJLQKPNSNF-AFUMVMLFSA-N 431.952 5.897 30 50 IKEA C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)SC1=S 2986309 RRYAYQHTWQLFOS-QNGOZBTKSA-N 431.538 5.446 30 50 IKEA CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 9184890 MMXPVYJCUOUUPZ-QFIPXVFZSA-N 431.875 5.326 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3cccc(Cl)c3)cc2OCc2ccco2)C1 12244661 JPTNHYZDMAJJOJ-UHFFFAOYSA-N 437.923 5.866 30 50 IKEA OC(c1ccccc1)(c1ccccc1)C1CCN(/C(S)=N\CCc2ccccc2)CC1 13497283 BSFRKOHOTRBBTD-UHFFFAOYSA-N 430.617 5.163 30 50 IKEA C=CCc1cccc(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c1O 20161204 XYWCRYDODDMEHW-LSHDLFTRSA-N 434.352 5.284 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257348493 GCRIWPLHBVKSPY-KFCWQGMRSA-N 444.612 5.265 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 681658 WCCKNWNZIOQPOF-UHFFFAOYSA-N 445.628 6.634 30 50 IKEA CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 815811 TZUWKRAYJMAJJN-SSOJOUAXSA-N 430.529 5.653 30 50 IKEA Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc(Br)cc4)cc3)sc2c1 2942221 LLVBNFOCBYXEIP-CZMNVGCUSA-N 433.374 7.450 30 50 IKEA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6077344 IROPHWKZMNPUBU-HOYKHHGWSA-N 441.556 5.143 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 253531309 NDZYXAXWOZOQAQ-SMJCXGKWSA-N 434.624 5.884 30 50 IKEA CC(=NO[C@H](C)C(=O)O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1775953675 AUDWNMRFKHRDOK-SNVBAGLBSA-N 446.765 5.273 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 2775522 YZWSCBAAIOOYLZ-NRFANRHFSA-N 445.650 5.309 30 50 IKEA Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 253416202 XENYMGYDDPGISX-FMRWXTELSA-N 444.554 6.733 30 50 IKEA C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 2367518 RFZKYGTVIULPJN-UHFFFAOYSA-N 425.366 5.230 30 50 IKEA CCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)N(CCC#N)CCC#N 100167143 KOUCFECHLDMUIB-HNENSFHCSA-N 444.664 5.796 30 50 IKEA O=S(=O)(/N=C(/NCCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1 9487352 RDJSZEISDAHKIK-UHFFFAOYSA-N 439.389 5.023 30 50 IKEA Oc1ccc2ccccc2c1/C=N/Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 25583655 TWGKAJHNSKEEGN-LUOAPIJWSA-N 430.920 6.317 30 50 IKEA CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 97950697 AWTHZKFPTUSFIU-OAHLLOKOSA-N 442.815 5.285 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1nnc(SCc2ccccc2)s1 1446023 NYAUVVODFAMQDT-GOSISDBHSA-N 447.585 5.358 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 9993312 ISYJWWGJKBBYDV-FQEVSTJZSA-N 430.460 5.218 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(I)c1 18250042 MYEIBTIZYYFAFE-FQEVSTJZSA-N 444.316 5.513 30 50 IKEA COc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c2ccccc12 100349408 OORKKSKEWRJWDI-XMMPIXPASA-N 448.559 5.708 30 50 IKEA CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3ccccc3)N3CCCCC3)o2)CC1 1857799462 DMUDIRDAIAEYOD-LQOCYXTFSA-N 434.628 6.649 30 50 IKEA Cc1ccc(N2N=C(c3ccccc3)/C(=N/Nc3cc(C(F)(F)F)ccc3F)C2=O)cc1 2050025089 SENPOKKZYQSXHZ-ANYBSYGZSA-N 440.400 5.372 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 702609 MVCVIBZAIIIDLV-FQEVSTJZSA-N 433.533 5.061 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 1132841 OAGBZAFLRCGTBD-YCRPNKLZSA-N 445.437 5.223 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc13)N2 1424709 WGADOOZKZYOCEQ-LMKMVOKYSA-N 436.467 5.515 30 50 IKEA O=[N+]([O-])c1ccc(/C=N/c2cccc3c(/N=C/c4ccc([N+](=O)[O-])s4)cccc23)s1 2895080 CCBCZSOMLDATOT-XHQRYOPUSA-N 436.474 6.280 30 50 IKEA CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4044001 LPRZIIKGLMNTQR-QFQXNSOFSA-N 444.575 5.067 30 50 IKEA CCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCC 77922757 BNQWRXQKMFZWNF-UHFFFAOYSA-N 426.682 7.915 30 50 IKEA CC(=O)O/N=C(\C)[C@@]12C[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118913455 GGQIDQJAIYDGEX-YBGUZFBXSA-N 427.585 5.436 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C4=CCOCC4)c3)n2)cc1OC 2325866275 GFWNSXGWTWEWBP-FQEVSTJZSA-N 446.528 5.121 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 1129683 QMXFSNDVGFEAOF-BVZFJXPGSA-N 449.522 5.656 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2775342 ZFAYHMDKIHHFJC-UUOWRZLLSA-N 435.951 5.655 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl 2838992 BHHMPXQOOHBKEW-UHFFFAOYSA-N 438.767 6.066 30 50 IKEA Cc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CCc1ccccc1 1875287257 BLNUDQBLMYIUFY-UHFFFAOYSA-N 431.499 5.260 30 50 IKEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 708838 LBSCKXDYZKHMGB-MRDQGFSESA-N 444.918 6.048 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 970925 CSZDKWFUAMZIAD-NSYGIPOTSA-N 434.461 6.685 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1 1213061 WHXBHKJHHJDCRF-SANMLTNESA-N 445.559 5.433 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 4082014 GUPPYNAVRNACFU-CRICUBBOSA-N 435.354 6.973 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2[C@H]1CC=CCC1 9483178 SBXTZUYFCSRDJV-CCLHPLFOSA-N 447.623 5.299 30 50 IKEA Brc1ccc(-c2nc(N/N=C/c3cccnc3)cc(-c3ccccc3)n2)cc1 13452429 RPBNQSJCACXPMD-MFKUBSTISA-N 430.309 5.414 30 50 IKEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C/C=C/c2ccccc2)CC1 52538834 NYPBGSUNIGYVQK-FMIVXFBMSA-N 435.575 5.065 30 50 IKEA COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O 2997598 MYKJGKVNJBQVHD-UHFFFAOYSA-N 437.580 5.114 30 50 IKEA Cc1cccc(C(=O)Oc2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)cc2)c1 3139436 NCAJCPAGPUCZPF-KGENOOAVSA-N 448.931 5.759 30 50 IKEA O=C1/C(=C\c2ccc(Br)cc2)S/C(=N/c2ccccc2)N1c1ccccc1 16451051 ZPDZJAANZQTWKI-WJGQKVTCSA-N 435.346 6.258 30 50 IKEA Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1Cl 8435551 RMJKYYMMAZHFKE-ODLFYWEKSA-N 429.328 6.453 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@H]2CCCCO2)C1 12327404 CEPHYRMQGZVQQA-OAQYLSRUSA-N 441.593 5.359 30 50 IKEA O=C1C[C@@H](S/C(=N/c2ccccc2)Nc2ccccc2)C(=O)N1c1cccc(Cl)c1 18087363 DMTGWMBPXZPIDN-HXUWFJFHSA-N 435.936 5.505 30 50 IKEA BrC(=NNc1ccc(Br)cc1Br)c1ccccc1 255004042 LCAVXBLQYLZLDG-UHFFFAOYSA-N 432.941 5.380 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@H](O)[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772820402 CTSXUIWIOTUWDC-WPVNVFRLSA-N 442.728 6.996 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(OCC(N)=O)cc1 780271 FYYZKUXDIJYTDQ-SANMLTNESA-N 426.516 5.013 30 50 IKEA COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)OC1=C2C(=O)c2ccccc21 2139337 JXAHPKGSADSYCK-QHCPKHFHSA-N 449.300 5.651 30 50 IKEA biogenic C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S 2988045 XXHMZGUWLQMRGY-YBFXNURJSA-N 449.956 5.454 30 50 IKEA CCOC(=O)/C(=N/Nc1ccc(Br)cc1)c1csc(Nc2ccccc2)n1 15636972 WVXBDDVKNDWLSK-JJIBRWJFSA-N 445.342 5.029 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1 19831169 HPZJEKCONPWXKY-QHCPKHFHSA-N 437.561 5.104 30 50 IKEA C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)SC1=S 22276015 BWKLKVGQCGZEIL-PDGQHHTCSA-N 446.391 5.415 30 50 IKEA CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 100959293 FJNMRFSIFOTQDI-GOTSBPSXSA-N 443.528 5.054 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 1082039 RUCSBLGADDDLHI-WOILTVAASA-N 445.559 5.399 30 50 IKEA Cc1sc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)c(C#N)c1C 2868171 BVHGQGCCLJDNAU-UHFFFAOYSA-N 441.556 6.491 30 50 IKEA Clc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl 8398493 KDEOOYRWKMDXQY-ZVHZXABRSA-N 442.354 5.358 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCCOc3ccccc3)c2C#N)cc1 8448602 FZKNCDQLVMDRFT-UHFFFAOYSA-N 438.552 6.467 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(\C)c3ccc(F)cc3)n2)cc1OC 12343317 WQBGOOKUMVWBAA-OCSSWDANSA-N 442.494 5.803 30 50 IKEA Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(F)cc1 19857474 ZTYRJLIDPQAWCK-UHFFFAOYSA-N 429.539 6.196 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]12C 257358969 XRLBQELEYBVDHJ-DIOBBKKZSA-N 444.612 5.265 30 50 IKEA CCCCCCCCCCCCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 299738326 VZGVCMSCBJWJPB-UHFFFAOYSA-N 425.573 5.271 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 674132 MDSSCXDGYAOCPG-SSOJOUAXSA-N 443.459 5.108 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 674134 MDSSCXDGYAOCPG-GKVSMKOHSA-N 443.459 5.108 30 50 IKEA Cc1ccc(-n2c(SC/C(O)=N/Cc3ccccc3)nnc2-c2ccncc2)cc1C 796358 ZPGMSDHMRPCEOZ-UHFFFAOYSA-N 429.549 5.195 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Br)cc1)Nc1ccccc1N2 1082743 UXDRVWWJZZMUSG-BVZFJXPGSA-N 445.360 6.429 30 50 IKEA O=C(Cc1ccccc1)ON[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 3137401 XCPRKWZJHBFJOP-HNNXBMFYSA-N 442.557 5.392 30 50 IKEA COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1157717 ZHAGFXIEEZOMEV-UHFFFAOYSA-N 449.846 5.298 30 50 IKEA CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)cn1 2806839 FBGHOXLBRYRLJO-HNNXBMFYSA-N 441.560 5.428 30 50 IKEA COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCc3ccccc3)n2)cc1 8441159 KAFAGOXLYIAZLR-UHFFFAOYSA-N 438.552 6.597 30 50 IKEA CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O 14686649 TYDBFNAOFZIICW-AWEZNQCLSA-N 442.552 5.307 30 50 IKEA biogenic,in-vitro CCN1C/C(=C\c2cc(Cl)ccc2Cl)C(=O)/C(=C/c2cc(Cl)ccc2Cl)C1 25761901 FSGWPDVVSDLBFA-BGPOSVGRSA-N 441.185 6.672 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)CC(C)C)cc3)n2)cc1OC 2325866550 PFFOKJZRWJGSOM-FQEVSTJZSA-N 449.576 5.410 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 1057493 KZPWBARPQOSHNM-VXNXHJTFSA-N 437.524 5.041 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1 2370656 OICWKGRMSLIJGC-UHFFFAOYSA-N 448.573 5.716 30 50 IKEA CCOc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c(OCC)c1 14257478 UJTBVSPSHANVKH-WSDLNYQXSA-N 446.370 5.816 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1OCC 19637559 GQQOZHSNAQIHRV-UHFFFAOYSA-N 442.972 5.222 30 50 IKEA CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NCCCCCCCCC 64858321 RFVBGWDDMRCKJP-NBNLIBPQSA-N 425.742 7.306 30 50 IKEA in-vitro CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(OC)c(OC)c1 101017431 NKOAWBQSDCZAHN-UHFFFAOYSA-N 435.718 7.792 30 50 IKEA CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C[C@H](C)[C@H]3C[C@H]2C3(C)C)c(C(C)C)c1 102319342 AKOTUMITTZYVGN-GKOATHMJSA-N 432.674 6.393 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 1772492435 LISUREDJGUCUNG-UCVJMCAHSA-N 439.640 5.677 30 50 IKEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1 2055152 XUSXREMOXJOAHW-XMMPIXPASA-N 441.568 5.185 30 50 IKEA O=C1c2ccc([N+](=O)[O-])cc2N[C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 2192414 ULGSDNISNXSKFH-VWXZLZIGSA-N 441.274 5.502 30 50 IKEA CCc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc(C)c1C(=O)Nc1ccccc1 2271485 XZGVRYXEDPAFSA-UHFFFAOYSA-N 449.963 5.705 30 50 IKEA Cc1c(CCC(C)C)c(Nc2ccc(Br)cc2)n2c(nc3ccccc32)c1C#N 17124847 RJKPAXCXLFYFCT-UHFFFAOYSA-N 447.380 6.762 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccs2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 18067550 IYRMYBMNAPPNAO-GYCJOSAFSA-N 445.544 5.045 30 50 IKEA COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 832974 CERUAOPVNNYCQJ-VWLOTQADSA-N 428.488 6.066 30 50 IKEA N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H]1COc2ccccc2O1 8443628 PEYVOJFCBCGDDW-NRFANRHFSA-N 436.536 6.219 30 50 IKEA Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c12 13642183 UQQHBSRCMXZVFN-UHFFFAOYSA-N 434.546 5.714 30 50 IKEA C/C(=N\N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(Cl)cc1 44607947 MUKOVGSSZRZHGH-LBEGURLNSA-N 448.935 6.092 30 50 IKEA CCOc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1OCC 2848736 VKVCVJLKALCPEZ-RWRHWQIFSA-N 448.566 7.652 30 50 IKEA CC(C)OC(=O)CC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8809601 NQYNPTKVKGJQNX-UHFFFAOYSA-N 430.529 5.290 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 18286044 HPNULZLDPIMLNF-WGDIFIGCSA-N 430.935 6.328 30 50 IKEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@H]1CCCc2c1[nH]c1ccc(F)cc21 218606014 NRYXEJASFVQXCP-FQEVSTJZSA-N 444.535 5.020 30 50 IKEA Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)c2c3c(sc2n1)CCC3 1896199 LGRGDGBNQOPSST-UHFFFAOYSA-N 440.619 5.031 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 2849432 YTXHSGWEYYTSOK-UHFFFAOYSA-N 437.327 5.308 30 50 IKEA C[C@@H]1CCc2c(sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)c2C#N)C1 2880200 YKFVCOQAAONHKV-OAHLLOKOSA-N 440.524 5.770 30 50 IKEA COc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)nc2ccccc12 16677662 MFJJEXWKZKLWQO-ZVHZXABRSA-N 433.309 5.514 30 50 IKEA C=CCCC(=O)N1CCOc2c(O)cc(-c3cccc4c3Oc3ccccc3S4)cc2C1 20535319 KIDRXLJFZORQKN-UHFFFAOYSA-N 445.540 6.003 30 50 IKEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl 2055108 AESGGEWVVJMBOS-LJQANCHMSA-N 436.379 5.941 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)cc1 16447593 DGXSOXOBGCYYPX-LADGPHEKSA-N 437.539 5.578 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 18155906 AUGPVCVOLVUIRU-SSOJOUAXSA-N 432.907 5.854 30 50 IKEA C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 102301841 VTVZBJAINPBAPU-ANHCSCTASA-N 449.963 5.663 30 50 IKEA CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12CC 257358708 VWPWDINLQRVKPK-MVTMSODMSA-N 442.684 7.571 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1202576 VAHSKKMELNMDEV-KBMIEXCESA-N 433.523 5.387 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccc(F)cc1 1429659 BRYSJWLHPYPQGP-GOSISDBHSA-N 448.563 5.801 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1 2865493 ICBFSKRAGIXFHD-FQEVSTJZSA-N 441.383 6.688 30 50 IKEA CCCCCCCC(=O)N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl 3065898 XVDBULGDXDEIJG-OAHLLOKOSA-N 439.861 6.561 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc(C(=O)c3ccccc3)cc1N2 9861253 JFOJXPWQRSGYCA-SANMLTNESA-N 438.483 5.232 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O 13568561 SWQKAUBNQMTHIB-WGDIFIGCSA-N 430.479 5.519 30 50 IKEA O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1)c1ccccc1N2 15821353 ZBWRMHOZDPBWOD-RUZDIDTESA-N 439.471 5.416 30 50 IKEA Cc1ccc(-c2nc(N/N=C/c3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc1 16663528 QKECDFGEZVTCBJ-ORBVJSQLSA-N 428.364 5.747 30 50 IKEA COc1c2c(cc3c1[C@@H](CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 252678332 DXIVGIUXGUGYMH-OAQYLSRUSA-N 428.573 5.502 30 50 IKEA biogenic COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)cc1OC 687017 DUPVIGUUZNPLGT-UHFFFAOYSA-N 443.528 5.721 30 50 IKEA CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 815809 TZUWKRAYJMAJJN-CRICUBBOSA-N 430.529 5.653 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccccc1N2 1082742 UXDRVWWJZZMUSG-IQGLISFBSA-N 445.360 6.429 30 50 IKEA Cc1ccc(C2CC(=O)C(=CNc3ccc(Cl)cc3C(=O)c3ccccc3)C(=O)C2)cc1 1178579 XVQRJJYWDAELSB-UHFFFAOYSA-N 443.930 5.891 30 50 IKEA CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 8860495 APDLCSPGWPLYEQ-WRBRXSDHSA-N 425.698 6.442 30 50 IKEA in-vitro N#Cc1ccc(/C=C2/C[C@]3(C/C(=C\c4ccc(C#N)cc4)C2=O)C(=O)Nc2ccccc23)cc1 252457319 YTEJROWLENHHFL-AGNAMEOGSA-N 441.490 5.150 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 1010073 DXFSOTSALOYCFM-NRFANRHFSA-N 449.963 5.556 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c3ccccc13)Nc1ccccc1-2 2073655 KTYFTAHHIRPSFF-QFIPXVFZSA-N 428.517 5.482 30 50 IKEA C=C(Cl)COc1ccc(CN(Cc2ccccn2)C(=O)/C=C/c2cccc(F)c2)cc1 15001309 NLBMFAFSLZCRQO-JLHYYAGUSA-N 436.914 5.594 30 50 IKEA CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253618020 LBERVHLCXUMDOT-UMHALFAZSA-N 442.684 7.571 30 50 IKEA Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 1051624 WXZMMTCSIVQCDX-DHRITJCHSA-N 426.303 5.802 30 50 IKEA Cc1nn(C)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2 2112732 SVHWGRXZNDGIFN-NEOOYVHHSA-N 440.657 5.754 30 50 IKEA COc1ccc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CCC3)cc1Br 2798932 RYHMRNPSEHFXSY-QHCPKHFHSA-N 434.333 6.284 30 50 IKEA N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCc1ccccc1Cl 8857535 DWKPEUHDGFEPDC-UHFFFAOYSA-N 436.964 7.434 30 50 IKEA C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 13898574 KOFFAKITKZDDMI-HAHDFKILSA-N 431.513 5.650 30 50 IKEA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 17097325 MCSNZOBIVIMKIB-HUUCEWRRSA-N 431.001 6.139 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccco1 18122597 MQPHVQVIGXMZRJ-SANMLTNESA-N 426.516 5.665 30 50 IKEA C[C@]12CC[C@@H](OS(=O)(=O)c3ccc(F)cc3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 36370809 BNXIOYCVQJVXLJ-MTZWIHEPSA-N 434.617 6.332 30 50 IKEA O=C1/C(=C\c2ccc(F)cc2)CC2(C/C1=C/c1ccc(F)cc1)C(=O)Nc1ccccc12 206411201 LRJRMZRQLYDBFT-AXPXABNXSA-N 427.450 5.685 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 1199307 MMIJTDNGKZNQHE-WINIVTDRSA-N 442.946 6.261 30 50 IKEA COc1ccc(NC(=S)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2531184 HNAOVVCCUJDMKX-ZVHZXABRSA-N 425.941 5.248 30 50 IKEA Cc1ccc(NC2(c3ccccc3)C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc1 2832238 GRXLMRGXEBVHTF-UHFFFAOYSA-N 429.519 6.065 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 9110181 NYPUIMUEMHXKAX-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA O=C1CCCC(O)=C1[C@@H](Sc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 101082264 UXFUODISDMCESE-RGTVUHFVSA-N 438.592 7.010 30 50 IKEA CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 4065495 FEAIPHNAYUBJNB-PBBNMVCDSA-N 438.571 6.845 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccnc1 4074961 NSTOXWAGNZTKNY-SIBVEZHUSA-N 427.479 5.141 30 50 IKEA CCCOc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 8892252 QRFJIXQSKWMRLJ-RBTNQOKQSA-N 449.550 7.180 30 50 IKEA COc1ccc2[nH]c3c(=O)n(N=C[C@@H]4CC=C(CCC=C(C)C)C[C@H]4C)c(O)nc3c2c1 253534152 ZTMKRAFIEVYSGH-AEFFLSMTSA-N 434.540 5.145 30 50 IKEA biogenic O=C1/C(=C/c2cc3c(cc2Cl)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 15018403 AEWZOAQUFIGQLC-XHOZKXSISA-N 434.904 5.877 30 50 IKEA C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 80720271 CDXFIRXEAJABAZ-UHFFFAOYSA-N 432.176 5.235 30 50 IKEA CCCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC)C2=O)c2ccccc21 100833466 MDPWMEYXVSTYLH-MRCUWXFGSA-N 444.666 6.155 30 50 IKEA O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 1170841 BVOIPXPHYXLSCY-DXPJPUQTSA-N 444.918 6.048 30 50 IKEA Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccccc4)c3C#N)c3ccccc3n2)o1 2773440 YZLSZZQYYINNOT-UHFFFAOYSA-N 449.535 6.964 30 50 IKEA C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 9295938 ONLPZLXFPNNZMR-BOPFTXTBSA-N 434.300 5.255 30 50 IKEA CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 33412599 SLUYHMQHCNSIMF-BGPOSVGRSA-N 441.185 6.672 30 50 IKEA C=CCn1c(CN(C)Cc2cccc3cccnc23)nnc1SCc1cccc(F)c1 55226280 NQGZPFWWEAXJGK-UHFFFAOYSA-N 433.556 5.076 30 50 IKEA CCCCCCCCCCCCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC 101019862 WKXSSRZTIIVWPN-UHFFFAOYSA-N 440.709 8.161 30 50 IKEA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 681892 GLQSVDUEQKXPIZ-GKVSMKOHSA-N 445.906 6.228 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 709775 KKFOCULDYZFJPV-XRHLQHRESA-N 434.495 5.773 30 50 IKEA COc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 4552157 BEPYDKGHSWSSOC-SDNWHVSQSA-N 426.428 5.008 30 50 IKEA Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1cccc2ccccc12 12836402 YFEFOIKEFANGLG-GOSISDBHSA-N 429.589 5.369 30 50 IKEA CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CCCC2=O 1156465 LCDNYASJCQHRDC-UHFFFAOYSA-N 441.571 6.007 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1184784 XXKWQIVCAMYFML-HXOBKFHXSA-N 439.552 5.448 30 50 IKEA C=CCn1c(CNc2c(C)cccc2C)nnc1SCC(=O)N(c1ccccc1)C(C)C 2544632 UGSCJGLWSKIAAX-UHFFFAOYSA-N 449.624 5.227 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 4082573 ZVNIIVXBILHVGW-PUAOIOHZSA-N 435.354 6.973 30 50 IKEA COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C(=O)O 16677455 PTZNNASOLAPDOE-PSYZWBJOSA-N 430.485 5.202 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)c1ccc(Oc2ccccc2)cc1 78413746 YCKBFTDVBBMHES-UHFFFAOYSA-N 436.680 9.923 30 50 IKEA CCCCCCCCCCOc1ccc(C(C)=O)c(OCCCCCCCCCC)c1 101017598 KDKJLZBGNQGYGA-UHFFFAOYSA-N 432.689 8.928 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1 872437 IGNKQYZXOGECOQ-WINIVTDRSA-N 426.516 5.899 30 50 IKEA N#Cc1c(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CCCC3=O)sc2c1CCCCCC2 1429599 ZEFVFTZAZMPPCK-IBGZPJMESA-N 448.563 5.945 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cc2cccc(OC)c2o1 2859644 QHVZSMRGFCLLIX-UHFFFAOYSA-N 448.548 5.179 30 50 IKEA C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@](C)(CC)OC3 2996559 ANTFPOHXGSGTQX-HSZRJFAPSA-N 426.607 5.665 30 50 IKEA CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 13568678 YSNMAQAFVVBILW-QYBDOPJKSA-N 430.573 6.515 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F 100557875 MWMIJAWLJKOUTF-BVZFJXPGSA-N 449.522 5.149 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 257348104 BKOGUJNRCSWUNA-ZWXODBCLSA-N 446.653 5.473 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc12 666956 XQSQMDZQANDGKB-IDISGSTGSA-N 437.539 5.765 30 50 IKEA C=CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 1900297 BJSLVYNYMDTWSQ-UHFFFAOYSA-N 434.649 6.527 30 50 IKEA biogenic C=CCOc1ccc(Br)cc1/C=C1\SC(=N)N(c2ccc(F)cc2)C1=O 2155157 XPDIZTQXAOYALJ-ZJNHSXOMSA-N 433.302 5.209 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 2784246 YNMSAXPRGZAOGJ-DVECYGJZSA-N 435.951 5.655 30 50 IKEA CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4060369 KXTDPSFRKVEGGC-FNZWTVRRSA-N 445.559 5.400 30 50 IKEA C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)CC1 758974 NRLHFCLKMFBIIK-NFQMXDRXSA-N 438.011 6.607 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1049135 VVECEIQGOJKZDR-LJQANCHMSA-N 440.286 6.118 30 50 IKEA C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccc(F)cc1 2123439 KCGKFNDIPRRWLW-UHFFFAOYSA-N 428.459 5.604 30 50 IKEA Cc1c(Cc2ccc(Cl)cc2)c(-n2nnc3ccccc32)n2c(nc3ccccc32)c1C#N 5354649 QXUWLQUHBVXJRK-UHFFFAOYSA-N 448.917 5.646 30 50 IKEA C=CCn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 12379137 HEVBSKFUNNBVNH-UHFFFAOYSA-N 445.013 5.282 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C 257349270 MXIKNOBYVNLDDR-RHQYYJBRSA-N 430.677 7.378 30 50 IKEA COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 662100 YRQJZMSDFJVHIA-UHFFFAOYSA-N 443.450 5.378 30 50 IKEA C=C(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CC[C@@H](C)C3 985908 KVVDLBFCGSPPLS-CQSZACIVSA-N 440.590 5.180 30 50 IKEA C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1sc2ccccc2c1Cl 1802973 CJRRIUZCZDEQMR-UHFFFAOYSA-N 442.953 6.200 30 50 IKEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1c3cc(C(F)(F)F)ccc3N[C@@H](c3ccc(C#N)cc3)[C@@H]21 1848443986 YOSXNYRXMMTPFT-BBIBWTOHSA-N 426.438 5.415 30 50 IKEA COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(/N=C/c3ccc(C)cc3)c12 8846647 SEJPPBXUHMDEBF-DHRITJCHSA-N 431.517 6.385 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)NC1CCCCC1 16425943 KTDMLSBJOKKLJV-UHFFFAOYSA-N 433.499 5.570 30 50 IKEA CC(=O)C1=C(C)N[C@H](c2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(Cl)cc1Cl 19202040 ILQVPHGLJPFAMX-MOPGFXCFSA-N 430.162 6.096 30 50 IKEA CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)Cc1ccccc1 100730541 FHDVKSUEMCQUKA-UHFFFAOYSA-N 446.740 8.068 30 50 IKEA COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 710575 PQEHEKCBFSELGZ-RUZDIDTESA-N 445.559 5.085 30 50 IKEA C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1 9261390 ZFKYBTJBMVUEDZ-UHFFFAOYSA-N 438.641 5.717 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 253502144 LCHQKKCWNVVBHJ-FPJYZCHOSA-N 441.656 5.552 30 50 IKEA biogenic Cc1nc2cc(C/N=C(/O)c3cnn(-c4ccc(F)cc4)c3C(C)C)ccc2n1C1CC1 328590121 DEEAASRZNDGFNR-UHFFFAOYSA-N 431.515 5.633 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 19535668 ADYCWNXEYXARFO-HSZRJFAPSA-N 435.951 5.687 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(F)c2)cc1 812868 QSTWRMPTFOQGTR-QLXKLKPCSA-N 432.470 5.953 30 50 IKEA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 900663 QQODLKZGRKWIFG-BPAFIMBUSA-N 434.294 6.317 30 50 IKEA in-man CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1Cl 1126860 OWEOKUOWFOPUEG-DEOSSOPVSA-N 448.975 5.438 30 50 IKEA CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1 8974626 RKAPRONBLMDNBI-WHLCRQNOSA-N 440.543 6.073 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 18324595 KFMRSICDARYYBV-PPHZAIPVSA-N 426.516 5.683 30 50 IKEA O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC(F)F)cc1 20028588 DWKVQCMBWKZEIQ-BQYQJAHWSA-N 441.305 5.109 30 50 IKEA CC1(C)OC(c2ccccc2)=C/C(=C\C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)O1 252679392 LRYWPGGNVAJLHF-SWSBMQKNSA-N 443.930 6.981 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 630723 HEGVWABNIAPBMT-WXTAPIANSA-N 430.935 6.328 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 681876 UNQYSMUMZWEZGU-WXTAPIANSA-N 441.487 5.583 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(SC)cc1 1184397 BQEAGWNBPANOMQ-KSFYIVLOSA-N 439.602 5.395 30 50 IKEA Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9019285 JGSXFYJLSDWPHZ-OMHSXHNCSA-N 440.455 5.086 30 50 IKEA C=C(C)[C@@H]1CC=C(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)CC1 12191697 XDODDCIKLIWNKI-LJQANCHMSA-N 447.048 5.130 30 50 IKEA C=CCn1c(SCc2ccccc2Cl)nnc1-c1csc(C)c1-c1ccccc1 13325738 GFGGFRCUCJKULR-UHFFFAOYSA-N 438.021 7.114 30 50 IKEA CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 16293774 VUTUFMZWYNJASA-DEOSSOPVSA-N 446.616 5.960 30 50 IKEA CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(O)cc3)c2C#N)cc1 19337679 RELFNOLRKRNDGX-UHFFFAOYSA-N 442.544 5.097 30 50 IKEA N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1 238950316 XRSQTRYZKZINBP-DEOSSOPVSA-N 444.485 5.894 30 50 IKEA Clc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1 254405269 ZFQPOMJPQNFCKO-UHFFFAOYSA-N 445.349 8.287 30 50 IKEA Brc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2Br)cc1 2147014 UIYHOCZXZIAYAD-RNIAWFEPSA-N 442.154 6.713 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2292164 ZBYISUQVRYYTTR-CYBMUJFWSA-N 445.009 5.397 30 50 IKEA CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 8997144 DNXSRZULBGSFSP-PZGXJGMVSA-N 437.587 6.512 30 50 IKEA O=C(Nc1cccc2c(NC(=O)ON=C3CCCCC3)cccc12)ON=C1CCCCC1 25692463 PYBRNGOWMBOWTC-UHFFFAOYSA-N 436.512 6.577 30 50 IKEA C[C@H](C/N=C(/O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2s1 328596275 ACMXXXDIHBGZSY-IAGOWNOFSA-N 445.629 6.030 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C4=CCOCC4)c3)n2)cc1OC 2325866276 GFWNSXGWTWEWBP-HXUWFJFHSA-N 446.528 5.121 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 2073016 NEUHYIQTLUDKOE-AOMKIAJQSA-N 441.980 5.716 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 8860530 WRGQSWVCFNIUNZ-GDCKJWNLSA-N 436.526 5.037 30 50 IKEA endogenous,in-man CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 19314564 SWWVFYHSSOWZMF-QFIPXVFZSA-N 438.524 5.075 30 50 IKEA in-vitro CCOc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3cc(F)ccc3S2(=O)=O)cc1 263619359 YIZZDNXFJJCYFE-UHFFFAOYSA-N 441.455 5.013 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2F)cc1 883137 LBODXLCIFUOJRU-QMTYFTJSSA-N 432.470 5.953 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1OC 883390 BXJTUGWLCUHXTK-VKGTZQKMSA-N 440.543 5.992 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 9560048 VMJSNTZIJYYPPK-GBXCKJPGSA-N 439.511 5.492 30 50 IKEA CCCCCCCCCCCC(=O)Nc1ccc(NCCN(CC)CC)c2ccccc12 101357575 UJNOQWQNYLCWKZ-UHFFFAOYSA-N 439.688 7.453 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 245238351 LJQHVTRFOZQNII-ATANXXGXSA-N 444.537 6.592 30 50 IKEA CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257360753 DOMWKUIIPQCAJU-NHPRTDBSSA-N 428.613 5.970 30 50 IKEA Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 705843 LIRQEBOXUUPWJJ-UHFFFAOYSA-N 433.480 5.740 30 50 IKEA N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCCN1C(=O)c2ccccc2C1=O 755267 LKBNRJPXTWYXCE-UHFFFAOYSA-N 443.503 5.025 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccs1 1066836 SEFUVLYZRQMWHS-QRQCRPRQSA-N 427.953 5.326 30 50 IKEA COc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 2167425 GCIPNLHNEJQENX-OQIGUVFWSA-N 434.539 6.796 30 50 IKEA CCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N 2271540 XLEUKBNPHDNRMD-UHFFFAOYSA-N 432.589 6.977 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1Cl 2865526 XTKROYNLQYLBHO-INIZCTEOSA-N 441.000 6.029 30 50 IKEA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 1175440 ABSKUYHPUOTOHA-LJQANCHMSA-N 432.467 5.374 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S 2847752 CAORUSWTRMNMPI-KGENOOAVSA-N 425.575 5.360 30 50 IKEA O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc(Br)cc(Cl)c1O 9296696 FWBZKGLQKZGAAX-AWNIVKPZSA-N 444.137 5.353 30 50 IKEA O=C(O)[C@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)/C(=N/c2ccc(Cl)cc2)S1 32109896 HLPZEZRNGAXCJH-MZJKWXHVSA-N 447.000 5.353 30 50 IKEA O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 1170840 BVOIPXPHYXLSCY-QMTYFTJSSA-N 444.918 6.048 30 50 IKEA CC1(C)C[C@@H](n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 2060632 XHTPKSASFCGETM-IBGZPJMESA-N 449.620 5.414 30 50 IKEA CCc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 8742245 UAMHNFUXDDMCPH-YIXXDRMTSA-N 443.587 5.810 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 18188243 LGCLOXHLFLSDOV-MHECFPHRSA-N 437.926 6.035 30 50 IKEA CCCCCCCCCCCCCC[C@H](OCCCCCCCCCCCC)[C@H]1CO1 1525673766 SLXJGQQISNMEOA-URLMMPGGSA-N 438.781 9.783 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1OC 9560021 XNQSIZHVUSNFFG-HIFRSBDPSA-N 446.330 5.015 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@@H]3CC[C@]12C 257348659 HVEXIRSOIACQFA-ZDZHHBAESA-N 430.677 7.378 30 50 IKEA N#Cc1c(/N=C/c2cc(Br)ccc2O)oc(-c2ccccc2)c1-c1ccccc1 1885229 DGXDMOMSKOTVMF-JFLMPSFJSA-N 443.300 6.704 30 50 IKEA COc1ccc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CCC3)cc1Br 2798933 RYHMRNPSEHFXSY-HSZRJFAPSA-N 434.333 6.284 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19634631 USDMBBGSNOGXPP-AMGIVPHBSA-N 441.571 5.924 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1 19831168 HPZJEKCONPWXKY-HSZRJFAPSA-N 437.561 5.104 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@H]3CC[C@@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C 254521686 LISUREDJGUCUNG-DIYDIWTJSA-N 439.640 5.677 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 4082011 GUPPYNAVRNACFU-NSYGIPOTSA-N 435.354 6.973 30 50 IKEA CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2 9985198 QBJZSIUZSHMAFI-FQEVSTJZSA-N 439.606 5.088 30 50 IKEA C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1 10035318 KDUKQIGZEHYLQG-IZHWHUGBSA-N 432.907 6.000 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1 18130683 BFVILGZACDUFHH-HRFSGMKKSA-N 438.527 5.899 30 50 IKEA CCCCCCCCCCCCCCCCCCNc1c2ccccc2nc2ccccc12 100857402 MORWKBBQFCSZIP-UHFFFAOYSA-N 446.723 10.061 30 50 IKEA C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 221649438 FVWJYYTZTCVBKE-RRBMRGKSSA-N 442.728 6.997 30 50 IKEA biogenic CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1C#N 2081476 RWERBGSYZDPZHW-UHFFFAOYSA-N 437.977 6.673 30 50 IKEA CCCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 3629009 QAGHSTAHQODNSJ-HNNXBMFYSA-N 445.585 5.343 30 50 IKEA COc1ccccc1[C@@H](/N=C(\O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O 6427435 GZZKJMGEZUEPPD-HSZRJFAPSA-N 448.906 5.727 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9241270 GRPZPOJIPMCRJD-FQEVSTJZSA-N 439.298 5.167 30 50 IKEA COc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)/C=C/c2cccs2)cc1 11867661 BQEBJAIPMNWHPI-MDZDMXLPSA-N 443.318 5.635 30 50 IKEA CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(Cl)cc1Cl 19202037 ILQVPHGLJPFAMX-RTBURBONSA-N 430.162 6.096 30 50 IKEA C=C(C(=O)O)C(=O)c1cccc(CCCCCCCCCCCCCCCCCC)c1 100307970 OZIGHNVFXHALAU-UHFFFAOYSA-N 428.657 8.314 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1022102 JMIPJZLQDGJHKC-DCFHFQCYSA-N 442.559 5.319 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1107160 RFRLKHBOFUCJLI-CRICUBBOSA-N 445.906 6.228 30 50 IKEA C=CCc1ccccc1OCCn1cccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O 1120899 QAAFDBZEQKJOJV-OQKWZONESA-N 432.907 5.294 30 50 IKEA Cc1cccc(-n2c(C)cc(/C=N\n3cnc4sc5c(c4c3=O)CCCC5)c2C)c1C 2995159 QCDVQMAPZBDBHX-WKIKZPBSSA-N 430.577 5.243 30 50 IKEA Cc1ccc(/N=C2/S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 25558033 CJVRVNXVLRVBKZ-UQRBVYKBSA-N 429.501 6.020 30 50 IKEA CCCCCCCCCCCCCC(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl 97976978 DZKDTGRLPNLYGZ-SFHVURJKSA-N 429.904 6.888 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@H]43)C2)cc1 257355593 BMEDGGDZYCTQMO-SQKGDCJDSA-N 442.621 5.601 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1OC 815787 NOXGFUIHZRXLNU-PPHZAIPVSA-N 440.543 5.992 30 50 IKEA CC(C)[N@+](C)(CC#C[C@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 247693265 XMLJZMMZIZSGTD-AZLWMVJWSA-N 432.628 6.143 30 50 IKEA biogenic COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 666738 TZHQCUTUDAQUHL-HFZDXXHNSA-N 445.559 5.256 30 50 IKEA COc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1 1430137 JWFLFNWBIYTQJB-IBGZPJMESA-N 446.572 5.425 30 50 IKEA C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 6427643 NSMQBOKQDWPGQI-CYBMUJFWSA-N 437.462 5.271 30 50 IKEA COc1cccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 8415129 OVUKUJSLCIKTLD-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 8892303 PHEASQZZEASOHK-JOCHJYFZSA-N 449.890 5.140 30 50 IKEA CCCCCCCCCCCCS(=O)(=O)N/N=C1/N(CC)c2ccccc2C1(C)C 102096065 DOHUPDBBIHLCMC-WJTDDFOZSA-N 435.678 5.958 30 50 IKEA CCOc1ccc2ccccc2c1C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N 1000956 OYCYQPRUUGZJCY-UHFFFAOYSA-N 435.549 5.214 30 50 IKEA CCOC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 4547547 KCXADVDUJSRDAW-RPCRKUJJSA-N 447.534 6.501 30 50 IKEA CCCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 8763704 QQASDACJHZEFFN-PGMHBOJBSA-N 443.499 6.057 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 12659136 HNTMKSKJRZRWKS-MXXJNVRFSA-N 444.637 5.681 30 50 IKEA biogenic CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@@]12C 257350705 ZJFYDPFCQFKJHC-UGYLRBLDSA-N 430.677 7.740 30 50 IKEA CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 8432070 BZFSOUBHLWUHFZ-HHHXNRCGSA-N 446.591 6.419 30 50 IKEA CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 97950877 KVYUSCFINZSFTB-HNNXBMFYSA-N 434.622 6.578 30 50 IKEA CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@]34O[C@@H]4C[C@H]2C1 257350340 WKPPTKDUKHFXEE-OGAQMIMUSA-N 428.701 7.276 30 50 IKEA CCCCCCCOP(O)(=NS(=O)(=O)c1ccccc1)OCCCCCCC 409415935 CMHSYPZOTJOBLQ-UHFFFAOYSA-N 433.551 6.288 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@H](c3ccco3)CC2=O)N1 1051195 IYRMYBMNAPPNAO-UPCLLVRISA-N 445.544 5.045 30 50 IKEA COc1cccc(/C(O)=N/[C@@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 6427099 MIDIVLDQHNVZLB-OTOIZHKDSA-N 444.918 6.362 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 8818093 OFUDCQMFADEAGB-MRXNPFEDSA-N 431.300 5.233 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 9184949 FVKHOZHJJZLNMD-HXUWFJFHSA-N 434.289 5.232 30 50 IKEA COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1OC 13512891 WLDYFJUQIJMPEP-XYOKQWHBSA-N 445.902 5.762 30 50 IKEA COc1ccc(/C=C2/C[C@@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1875390523 RZZSYQOCHYTRMK-OHLGRZQQSA-N 448.603 6.152 30 50 IKEA C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 2533063 UHBOETHASHIRCZ-MOSHPQCFSA-N 435.549 5.374 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 16034376 KZPWBARPQOSHNM-HJOGWXRNSA-N 437.524 5.041 30 50 IKEA COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21722360 NUGJZDQWIIMPQF-XMMPIXPASA-N 445.544 5.969 30 50 IKEA O/N=C(\c1ccccc1)[C@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1 71767274 SCLPXTHLYLDYNO-VEZPTTSMSA-N 431.535 7.139 30 50 IKEA N#Cc1nc(-c2ccccc2)oc1N1CCC(c2nc(-c3cccc4ccccc34)no2)CC1 1857799357 YENAMDYTPMAENK-UHFFFAOYSA-N 447.498 5.800 30 50 IKEA C[C@H]1CCCN(/C(=N\c2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)C1 2050024881 FYZDLNUGRYSMSA-JYVMJBFDSA-N 437.612 7.287 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O[C@H](C)CC 671962 BELHMXOTTYPSEN-DNOBIOAJSA-N 446.591 6.417 30 50 IKEA Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 704882 XGMRWSODFXKGFI-UHFFFAOYSA-N 433.480 5.740 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O 718069 LEWZYXRJQLNBGU-QMTYFTJSSA-N 446.934 6.034 30 50 IKEA biogenic,in-vitro COC(=O)CSc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)c1C#N 754735 LLKONRXDLZXFHD-UHFFFAOYSA-N 445.363 5.376 30 50 IKEA C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccc(C)c(Cl)c1 992441 KTPDPPXJUVXQGD-ZPKJPUMHSA-N 441.984 5.412 30 50 IKEA C=CCOc1ccccc1CN1CCOc2c(cc(-c3ccc(OC)cc3)cc2OC)C1 15067223 QAQCBIRRJCSZMU-UHFFFAOYSA-N 431.532 5.330 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC 17821568 QSWKHWCARMUOIP-KKSFZXQISA-N 439.602 5.313 30 50 IKEA CCCCCCCCCCCCCCN1C(=N)N(S(=O)(=O)c2ccc(C)cc2)CC1=O 100743691 SQYGHYYIRCDVCP-UHFFFAOYSA-N 449.661 5.464 30 50 IKEA O=C(/C=C/c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccccc1Cl 263639669 CSZNFQDPPMOHAV-JXMROGBWSA-N 437.889 5.889 30 50 IKEA CCCOc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 8779095 ABCRYPSTNJZXLR-PGMHBOJBSA-N 428.444 5.948 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2)cc1 19762179 VSCKTDPFELJHJH-XMMPIXPASA-N 431.532 5.043 30 50 IKEA CCCCCCCNc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O 60050086 QANXKSWIKOQJGO-UHFFFAOYSA-N 440.543 6.097 30 50 IKEA Cc1ccc(S(=O)(=O)N=C(SCc2ccccc2)SCc2ccccc2)cc1 1896409 KIXSGVGCNWFQHC-UHFFFAOYSA-N 427.616 5.907 30 50 IKEA CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2Cl)o1 20617963 KUKHFODSMFPWGD-WSDLNYQXSA-N 428.901 5.358 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 709463 KFDGLDPNDVLWLR-PUAOIOHZSA-N 445.906 6.228 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccsc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 1079420 MZPAAWHGHGFLMU-UZUQRXQVSA-N 445.544 5.045 30 50 IKEA C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 4027386 XWMMEBCFHUKHEX-ZJJHUPNDSA-N 426.729 8.025 30 50 IKEA biogenic,in-vitro COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)c1 9559872 ZYDCFFHSFVTXPW-SJCJKPOMSA-N 446.330 5.015 30 50 IKEA C[C@H](CCC#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 240321614 FARUJJLVHFTRHP-OAHLLOKOSA-N 437.619 5.954 30 50 IKEA O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(/C=N/OCc2ccc(Cl)cc2)c1 263639765 IAJBIAKAIMQPBU-BRJLIKDPSA-N 441.837 5.578 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 2986495 HXDMYYUKHZJCCI-PDGQHHTCSA-N 446.391 5.415 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC 9982673 QSWKHWCARMUOIP-HRAATJIYSA-N 439.602 5.313 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H]3O[C@@H]3[C@]12C 257346889 CYPQELKXBYBDOE-XRQUGMBTSA-N 446.628 5.154 30 50 IKEA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@]43C)[C@@H]12 257350249 VXMOMCPHHMOJSD-CUHHPFSCSA-N 440.712 7.300 30 50 IKEA CCOc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(OCC)cc3)=C(Cl)C2=O)cc1 2143485 YTVQRYQPFCCLEC-UHFFFAOYSA-N 447.318 5.061 30 50 IKEA C=CCn1c(SCc2cccc3ccccc23)nc2sc3c(c2c1=O)CC(C)(C)OC3 2299283 SKILGLBIYWXKCH-UHFFFAOYSA-N 448.613 5.941 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 2844516 HSRHEDXSOZKCBK-YCRPNKLZSA-N 445.437 5.223 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccccc1Br 2963214 ZPZPVZWRHWQWNS-XMMPIXPASA-N 432.361 6.912 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC1=S 2978300 NNGUSNTXYXBREH-RGEXLXHISA-N 431.966 5.185 30 50 IKEA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(F)cc2)cc1OC 15837791 PGWHMFIDDNVGDA-UVTDQMKNSA-N 428.463 5.592 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 18212148 IYRMYBMNAPPNAO-VOIUYBSRSA-N 445.544 5.045 30 50 IKEA O=S(=O)(OC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 3136946 MOUWCLXELLTTIT-LJQANCHMSA-N 431.351 5.181 30 50 IKEA N#Cc1c2c(c(NN(Cc3ccccc3)Cc3ccccc3)n3c1nc1ccccc13)CCC2 5295079 ICLYKXHEPFTMTN-UHFFFAOYSA-N 443.554 5.877 30 50 IKEA CCCCCCCCCCCCCCCCCOc1ccc2c(O)c(C(=O)O)ccc2c1 70664672 RGGSYEYHPYDYLU-UHFFFAOYSA-N 442.640 8.494 30 50 IKEA biogenic COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl 1201884 NICAULMNTWUNIH-QRQCRPRQSA-N 442.342 5.528 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1cccs1 1430886 IRGBDBQSGKBNNT-OAHLLOKOSA-N 436.602 5.724 30 50 IKEA Cc1ccsc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 1431974 WWBBNFSDPRWCRJ-MRXNPFEDSA-N 436.602 5.786 30 50 IKEA COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 9013609 QWZBKWLTZDKMOT-KPKJPENVSA-N 437.835 5.372 30 50 IKEA CCN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 25761794 PNRCZERKCUVEHU-BGPOSVGRSA-N 441.185 6.672 30 50 IKEA O=C1/C(=C\c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 100055875 ZPDZJAANZQTWKI-ADGFTTEDSA-N 435.346 6.258 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@]1(CO)CCCO1 101020996 NNCZMROTQMDGEM-VWLOTQADSA-N 427.670 6.516 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 1082102 KCENSAJUJSBWMW-FDDCHVKYSA-N 436.939 5.048 30 50 IKEA CCCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2387463 MWDIDECVCXVCGK-UHFFFAOYSA-N 440.381 7.182 30 50 IKEA CCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(O)c1 16513071 HZYUQZIMSYHWPL-WPWMEQJKSA-N 440.503 5.457 30 50 IKEA CCCCCCCCCCCCCCCCCC[C@H]1NC(CC(=O)O)=[N+](CC)[C@H]1O 101683480 JMHNSQADFAHCJD-RDGATRHJSA-O 425.678 5.834 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccs1 1058024 CCEBLVMKIXXUHC-UHFFFAOYSA-N 425.366 5.230 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1120518 COVPLLUFWZDQIK-GGAORHGYSA-N 433.548 5.050 30 50 IKEA C=CCn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1ccncc1 4391010 ZLPTYRIONGZORI-UHFFFAOYSA-N 437.528 5.186 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(F)cc1 9556368 KSRLBPUFXXYMOL-UHFFFAOYSA-N 449.404 5.648 30 50 IKEA C=CCSc1nnc([C@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)n1C 20601004 ZLBGSILMABWXSE-INIZCTEOSA-N 428.989 5.386 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccccc2Cl)SC1=S 22257278 GBHYEGUDIBBAOA-HMMYKYKNSA-N 445.993 5.575 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O 100700069 BKWIMUORHSANHY-UHFFFAOYSA-N 439.684 8.537 30 50 IKEA O=C1N/C(=N/N=C/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl 8854318 FXLZAUNOGBCPEM-GQZFTILASA-N 445.158 5.894 30 50 IKEA COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 13424186 OERFJZDXUYBERT-HMAPJEAMSA-N 438.526 5.101 30 50 IKEA CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 16293773 VUTUFMZWYNJASA-XMMPIXPASA-N 446.616 5.960 30 50 IKEA C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@](C)(O)C(C)(C)O 38791511 BPEQZNMKGFTMQE-LXHCYJFYSA-N 428.657 5.871 30 50 IKEA in-vitro CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1 98071569 YJUHXJQZJUQYJJ-UHFFFAOYSA-N 428.347 7.130 30 50 IKEA in-vitro CCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCCC)cc3)c(C3CC3)c2)cc1 218882762 DVPXPRGFSDFHFO-UHFFFAOYSA-N 430.635 8.049 30 50 IKEA N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1 238882230 CUSNQPJPCUMNGJ-VIZSFHNOSA-N 434.490 5.345 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O 812929 OSQNVTKXOKFBHH-CPJLOUKISA-N 446.934 6.034 30 50 IKEA in-vitro O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1107161 RFRLKHBOFUCJLI-GKVSMKOHSA-N 445.906 6.228 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1120531 COVPLLUFWZDQIK-GMAHTHKFSA-N 433.548 5.050 30 50 IKEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1063609 QBOBMTBXBZBAST-UUOWRZLLSA-N 441.556 5.143 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 257347750 SUISKBUAOOSHAW-NYHSDVFVSA-N 444.612 5.265 30 50 IKEA COc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 2296563 IYIASLBJLCLHKV-UHFFFAOYSA-N 443.572 5.282 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 4078870 LBSCKXDYZKHMGB-QUGAMOGWSA-N 444.918 6.048 30 50 IKEA Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 9312173 UOSHNJLDXINYON-JOCHJYFZSA-N 441.369 5.993 30 50 IKEA CC(=O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 12378353 LSFDDONDDCSVML-UHFFFAOYSA-N 426.925 5.099 30 50 IKEA CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12 25783666 FXJDCECTQUQZJG-UHFFFAOYSA-N 443.588 6.656 30 50 IKEA CCCCCCCCCCCCCCCC[C@@H](S)C(=O)Nc1ccc(Cl)cc1 101017937 SGYOJHLVFNCXPP-HSZRJFAPSA-N 426.110 8.448 30 50 IKEA CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 720756 ZHVJSRZXIJMSLS-HSZRJFAPSA-N 440.971 6.283 30 50 IKEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 2219543 WJDXEUVLCKVSDU-WPWMEQJKSA-N 442.588 6.366 30 50 IKEA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 2553258 RZLQXWZBYWWYHG-NLRVBDNBSA-N 447.560 5.405 30 50 IKEA CCCCCCCCCC[C@@H](C(=O)OCC)[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 97950616 OZXFUFUXAWDUQK-QFIPXVFZSA-N 431.468 7.032 30 50 IKEA CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 101022346 GEVYEZSWYNSSOX-INIZCTEOSA-N 438.852 5.536 30 50 IKEA O[C@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 224123493 ZIVDJFZROQALFF-QLWXXVCSSA-N 443.590 6.082 30 50 IKEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1147917 AWIYDOPOGWXPKE-CRICUBBOSA-N 429.451 5.713 30 50 IKEA Nc1nc(Nc2ccccc2SC(F)(F)C(F)(F)F)nc(ON=C2CCCCC2)n1 1226896 SRTZGCPAEXBGKL-UHFFFAOYSA-N 448.421 5.144 30 50 IKEA C#CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 2060635 YMKUACBKVJMHGY-HXUWFJFHSA-N 448.632 5.524 30 50 IKEA biogenic C=CCSc1nnc(-c2nnc(SCC=C)n2-c2ccccc2)n1-c1ccccc1 2701969 DIADNKYQFUVIQG-UHFFFAOYSA-N 432.578 5.071 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl 8838098 YPOKFCMALMBUBT-QFIPXVFZSA-N 429.347 6.156 30 50 IKEA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C#CC(C)(C)O)c1 12300246 VAMHZHTWAFUJNL-MUUNZHRXSA-N 448.566 5.387 30 50 IKEA COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)ccc1OC(C)C 13568607 UEOHFARGAVGEPV-SJLPKXTDSA-N 439.939 5.140 30 50 IKEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 18180934 BNIZRPPVKJKMQP-RUZDIDTESA-N 448.563 5.503 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC 709670 BMGCNEXJQXCUPY-HFJWLAOPSA-N 427.504 5.078 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 1132705 VQXJVTIPWUYNDX-NRFANRHFSA-N 445.321 5.739 30 50 IKEA O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Cl)cc1C(=O)c1ccccc1 1207994 BTSXZAFGVUOXIJ-UHFFFAOYSA-N 429.903 5.583 30 50 IKEA N#CC(CCCCC(C#N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1673518 CRFRCHLTAYEDAD-UHFFFAOYSA-N 440.590 7.567 30 50 IKEA CC(C)Oc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 8871712 WCHHTWZHBMKTHS-QJOMJCCJSA-N 426.516 6.105 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19638545 MDKPGMFAWUMHKT-FQRUVTKNSA-N 443.543 5.240 30 50 IKEA CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 3196630 RSCCRIZXMUOONM-UHFFFAOYSA-N 435.564 6.402 30 50 IKEA N#Cc1c(SCCN2CCCC2)nc2c(c1C(F)(F)F)C[C@@H](c1ccccc1)CC2 4398844 QSTXVEFOWKZXOU-KRWDZBQOSA-N 431.527 5.432 30 50 IKEA Oc1ccccc1/C=N/[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770229 GSNNAAMILWFDHG-UHFFFAOYSA-O 427.527 6.563 30 50 IKEA O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)c1ccc(/N=C/c2cccs2)cc1 17109161 ATGSMFVSXNRYQU-DFEHQXHXSA-N 436.583 6.144 30 50 IKEA O=C1c2ccccc2/C(=N/N=C/c2ccccc2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 100563245 FNNVCCZQMAKZSJ-JTZITEQJSA-N 442.518 5.724 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8809705 HBTABMLBZYAMMQ-SGNDLWITSA-N 437.524 5.041 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(F)cc1 16382167 IRWKEKYNLOFOKN-HXUWFJFHSA-N 427.306 6.278 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 18172873 BQCCHOWCZWHBJU-VWLOTQADSA-N 434.536 5.257 30 50 IKEA C#CCCC1(CCSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)N=N1 2325899724 TXARNCULGJNGBZ-UHFFFAOYSA-N 429.593 6.290 30 50 IKEA Cc1ccc(-c2c(C#N)c(SCC(=O)NCc3ccccc3)nc3c2CCCC3)cc1 705938 WLSPLIQEIJDMQZ-UHFFFAOYSA-N 427.573 5.216 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1022101 JMIPJZLQDGJHKC-CCLHPLFOSA-N 442.559 5.319 30 50 IKEA C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 2672937 YPFSBZWLDOGRRX-STZFKDTASA-N 445.613 5.852 30 50 IKEA COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC#N 2912774 ITBXDBVCFSZDFC-HHHXNRCGSA-N 438.527 6.060 30 50 IKEA COc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2C#N)cc1 8809684 ZXHSZEMUTDQNGD-UHFFFAOYSA-N 438.552 6.597 30 50 IKEA Cc1nnc(CN(C)[C@]2(c3ccccc3Cl)CCC/C(=C/c3cccs3)C2=O)o1 170607305 GNHGWRVSQOLAEJ-XEZIEYNOSA-N 427.957 5.257 30 50 IKEA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 681893 GLQSVDUEQKXPIZ-SSOJOUAXSA-N 445.906 6.228 30 50 IKEA COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1COc1ccc2ccccc2c1 2791306 DFAUTIDWMLWHAC-BRJLIKDPSA-N 440.475 5.127 30 50 IKEA CCCOc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 8892467 QRFJIXQSKWMRLJ-KMRXNPHXSA-N 449.550 7.180 30 50 IKEA Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C 9184905 HFIPUAZTFXUPLH-GOSISDBHSA-N 442.899 5.335 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 16034262 TZXVUJFCIMGZSW-GSDHBNRESA-N 449.485 5.119 30 50 IKEA CCCCCCCCCCCC[C@H]1CCCC/C1=N/OC(=O)Nc1ccccc1Cl 100442506 XIVDVFMFBDHNHZ-RNDJKCMBSA-N 435.052 8.746 30 50 IKEA C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1cccc(Cl)c1 100504626 ARUREGWTVFLOKD-IMVLJIQESA-N 445.975 6.541 30 50 IKEA C=C(C)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCCCC4 2956628 MVVZSDUFIRURMH-UHFFFAOYSA-N 436.606 5.340 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 18089641 IEPDSHZEDUXBDJ-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA O=C(NCc1ccco1)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 19630055 QEZXMCVQMNVIHA-RWPZCVJISA-N 439.540 6.025 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 40165181 LAYXSTYJRSVXIH-HXUWFJFHSA-N 438.542 5.261 30 50 IKEA endogenous,in-man C=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95708060 DPOFHGRLDJWXKJ-UHFFFAOYSA-N 440.146 5.563 30 50 IKEA in-vitro CC1(C)O[C@H]2C(=O)C=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 149645059 ZOTQCHXKLQHNIE-FTJBHMTQSA-N 426.512 5.024 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 253502206 MQYXUWHLBZFQQO-YLGWIKJRSA-N 426.729 8.025 30 50 IKEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1c3cc(C(F)(F)F)ccc3N[C@H](c3ccc(C#N)cc3)[C@H]21 1848443987 YOSXNYRXMMTPFT-NMMOZUCGSA-N 426.438 5.415 30 50 IKEA COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)cc(OC)c1OC 718231 OQNRXDDJICPRGJ-QHCPKHFHSA-N 430.504 5.134 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(Cl)cc1 9042550 LBSGRTAVMWOUBO-HXUWFJFHSA-N 448.872 6.045 30 50 IKEA COC(=O)c1ccccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)o1 18136972 YFUKDNFDIIYZKM-XDHOZWIPSA-N 438.892 5.278 30 50 IKEA CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 33954919 ZXQYGBMAQZUVMI-HQMWCCLBSA-N 449.856 6.544 30 50 IKEA in-man C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CC[C@@H]1C)CCC21SCCS1)C1SCCS1 43762233 CPGWNLKFCZHRGO-IAECCPNBSA-N 442.781 6.439 30 50 IKEA CC1(C)OC(=CC=Nc2ccc(Cl)cc2C(=O)c2ccccc2)C=C(c2ccccc2)O1 2049274207 LRYWPGGNVAJLHF-UHFFFAOYSA-N 443.930 6.981 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 720680 GTMALCFWCWTLHG-QLXKLKPCSA-N 430.935 6.328 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 986588 ZTASUGYKTPNPGU-SIBVEZHUSA-N 442.584 6.305 30 50 IKEA Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)o1 994428 NVDLQMQDNXREAN-HHHXNRCGSA-N 440.543 5.974 30 50 IKEA O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 1220856 MFFDKMQSIXVXRN-CQSZACIVSA-N 430.154 5.218 30 50 IKEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S 2863895 FNFQJJNVWSJUNZ-XDHOZWIPSA-N 445.993 5.623 30 50 IKEA N#Cc1ccc(-c2ccc(OC[C@H](O)CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1 2947271 JBUASTNFAZMYPG-GDLZYMKVSA-N 448.566 5.667 30 50 IKEA C=CCC1(CC=C)CCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 12314520 JQLAYFLZPINBKO-UHFFFAOYSA-N 448.636 5.197 30 50 IKEA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1ccc(C#CC(C)(C)O)s1 12315238 JBAKUGSLNJEITG-JOCHJYFZSA-N 433.621 5.168 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(Cl)ccc1O 13555548 RPTKRVXJNWPJLU-GOSISDBHSA-N 445.733 6.569 30 50 IKEA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1 18180284 QKMJRMXNJBXEJF-QHCPKHFHSA-N 436.502 5.516 30 50 IKEA CC[C@H](OC(=O)[C@H](/N=C(/O)c1ccccc1)c1ccccc1)/C(O)=N/Cc1ccccc1 328592475 VLYRJXLHVQQJKA-XZOQPEGZSA-N 430.504 5.211 30 50 IKEA C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccccc1C 672739 GTIVQOBKOZMFKH-UHFFFAOYSA-N 444.560 5.236 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 709464 KFDGLDPNDVLWLR-LMKMVOKYSA-N 445.906 6.228 30 50 IKEA CCCCN(CCCC)C1=C(C(=O)c2ccccc2)N(CC)S(=O)(=O)c2ccccc21 2066485 RKDBVJMQEAOXMX-UHFFFAOYSA-N 440.609 5.165 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4064661 MQCRGRCXXRGJAF-FNZWTVRRSA-N 445.559 5.400 30 50 IKEA C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(OCc2ccccc2)cc1 19773288 FLBIGQDCIHPLRM-MWAVMZGNSA-N 435.571 5.571 30 50 IKEA C[C@@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl 102265845 OMNFGJKJTUMWAP-VGBRZCOJSA-N 426.170 7.766 30 50 IKEA CCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816504 JGJORYQOUSSTCT-UHFFFAOYSA-N 428.736 7.078 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)c1ccccc1 1772491979 RSZHYTMCURJIHZ-WSYDCEONSA-N 434.576 5.561 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccc(Br)cc1 1173374 BICWBKMWXBHNKD-QHCPKHFHSA-N 433.349 6.307 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Br 2330267 BBKJJLUHLPKHEC-UFWORHAWSA-N 428.142 5.185 30 50 IKEA [N-]=[N+]=Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 15721803 FDDCQWPWXJJNFA-QFIPXVFZSA-N 428.448 5.163 30 50 IKEA in-vitro FC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1Nc1nc(Cl)nc(Cl)n1 22016245 MTJNVQJSQMCSHE-UHFFFAOYSA-N 441.159 5.805 30 50 IKEA CCCCCC/C(=N/OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccccc2)cc1 90430849 LOCXTTRLSIDGPS-FVDSYPCUSA-N 445.584 7.204 30 50 IKEA C/C(=N\Nc1ccc2ccccc2n1)c1cccc(/C(C)=N/Nc2ccc3ccccc3n2)n1 2325809609 OGQGDNVYVGDCKO-QCPYDNSOSA-N 445.530 5.850 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1184510 XWIKZAASTVWJOU-KKSFZXQISA-N 427.591 5.370 30 50 IKEA CCCCCCCCCCCCCC[C@@H](C(=O)OCC)[N+](C)(C)Cc1ccc(OC)cc1 100690075 CMQYMTVKUZMZFE-MHZLTWQESA-N 448.712 7.295 30 50 IKEA Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 2790908 BYNAUSKQQZFGOL-QWHCGFSZSA-N 449.418 5.238 30 50 IKEA C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 9472351 BHJIBJSFOXOHQP-JOCHJYFZSA-N 449.890 5.276 30 50 IKEA Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c1 15072824 OTUDEMXREYNLEW-SANMLTNESA-N 439.603 5.262 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2[C@@H]1CC=CCC1 169678647 SBXTZUYFCSRDJV-NFQMXDRXSA-N 447.623 5.299 30 50 IKEA O=C1C=CC=C/C1=C\C=c1ccc(=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1 409415901 OKJYKDQIGPYCKE-TWVFTPEFSA-N 426.515 5.352 30 50 IKEA Cc1ccc([C@@H](CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)N2CCC(C)CC2)o1 1775975963 MVCVAPRYAGCFNA-MOVYNIQHSA-N 434.515 5.642 30 50 IKEA Cc1cccc(C(=O)N[C@@H](NC(=S)N=C2CCCCCC2)C(Cl)(Cl)Cl)c1 25579557 ZTQKUTFMPHGORH-INIZCTEOSA-N 434.820 5.091 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 25694982 DHFHSIULJLOUCM-XMMPIXPASA-N 449.522 5.182 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1 630717 LYLCHAAMYDNCQX-WTYVLRPYSA-N 439.559 5.741 30 50 IKEA COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 1177557 NDLUPDDIAFUBRD-UHFFFAOYSA-N 443.971 5.370 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cccc(Br)c1 2306146 DSQADTIMDSAVQD-DEOSSOPVSA-N 432.361 6.912 30 50 IKEA S=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)NC1CCCCC1 4210611 LQJUAGNRPLPPQA-OEAKJJBVSA-N 446.414 5.159 30 50 IKEA COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)ccc1O 9434258 SQEHLXZIOVCQDW-AREMUKBSSA-N 440.499 5.218 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1 18068182 RFGAFOURCLUOMA-NFQMXDRXSA-N 442.946 6.261 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F 19761927 VNVRIFOIKKKMRY-IVZQSRNASA-N 425.887 5.014 30 50 IKEA O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1OB(F)F 169806180 TYUJGNSCNIWVLJ-ATVHPVEESA-N 428.243 6.618 30 50 IKEA O=[S@@](c1ccc(N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc1)C(F)(F)F 1776003323 JERIMQVZKCFJCS-OLRZCDJHSA-N 425.369 5.408 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 631006 GVFVTHRQZMBLLI-QMTYFTJSSA-N 444.918 6.048 30 50 IKEA CO/N=C/C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 8733497 VZLNFXLTCBIURV-GZIVZEMBSA-N 449.121 5.126 30 50 IKEA S=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)Nc1ccccc1 8798190 SKHSWEXQCFPPSK-OEAKJJBVSA-N 440.366 5.349 30 50 IKEA FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NCc2ccco2)cc1 13764545 VQZOUJZKSXJASA-UHFFFAOYSA-N 432.386 5.649 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1 17992911 BFVILGZACDUFHH-NFQMXDRXSA-N 438.527 5.899 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 19798087 AHEQYZLQQKFCNG-OAQYLSRUSA-N 434.363 5.837 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 35973801 RUCSBLGADDDLHI-JHACJNOPSA-N 445.559 5.399 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 253505641 VOETZVYTDQTIBX-BYSIFKIXSA-N 446.588 5.239 30 50 IKEA biogenic COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 861349 IXPGNTPEPUTNDM-HFJWLAOPSA-N 430.935 6.328 30 50 IKEA Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 1051560 KJQGDAZHOAUSFX-AUEPDCJTSA-N 428.673 5.762 30 50 IKEA CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 2861941 ZUCGBBVKTIUPGD-RUZDIDTESA-N 448.519 5.266 30 50 IKEA CC1C/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1 4531648 LAHSELCFXWSVDZ-QBJFIXQVSA-N 430.460 6.081 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C 13915998 XAXMBZMCJULYBA-VWLOTQADSA-N 449.522 5.162 30 50 IKEA COc1ccc(/C=N/c2ccc(/C=C/c3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 18057377 OVYNLEMXCIOVNA-CZJFJFIFSA-N 446.550 7.375 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2cc(C)ccc2C)SC1=S 22228884 JRCYODOUPOAFTO-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 27547478 YGEOQAWOJJVWSR-OAQYLSRUSA-N 444.428 5.451 30 50 IKEA O[C@@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 224123441 ZIVDJFZROQALFF-PPTMTGTBSA-N 443.590 6.082 30 50 IKEA N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1 238950319 XRSQTRYZKZINBP-XMMPIXPASA-N 444.485 5.894 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1 856555 LZWMCIHUFKFIJD-PPHZAIPVSA-N 442.584 6.397 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 883118 DVDPCBUPISECOT-YHAMSUFESA-N 432.470 5.953 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 1123571 CJXMQLAXIVLDAD-DWXRJYCRSA-N 425.488 5.883 30 50 IKEA CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 1130367 KUGQVAHDEZEQDF-AFJIDDCJSA-N 448.591 7.024 30 50 IKEA Cc1ccc(C)c(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2)c1 2546754 WUGZQOCDROIDGB-UHFFFAOYSA-N 425.506 5.761 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1 2865482 NBBHMJXMRLARDM-IERDGZPVSA-N 439.342 6.363 30 50 IKEA CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1 17611375 ZBESASFHIWDSCJ-WCWDXBQESA-N 428.657 8.314 30 50 IKEA in-vitro C[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 89224316 AFBDSAJOMZYQAI-CNOZUTPLSA-N 437.355 5.628 30 50 IKEA world COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348492 GCRIWPLHBVKSPY-IJEDQFSISA-N 444.612 5.265 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 669790 TYJRQKLPFPQHDD-DEOSSOPVSA-N 429.476 6.077 30 50 IKEA N#Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 1108456 YYFLJXOCXLAICC-UHFFFAOYSA-N 427.869 5.572 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccs1 18136976 BLCMSKCJGVKIDG-AREMUKBSSA-N 442.584 6.134 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O 252320633 HESAJDXBMHQLJH-UGTIFVOYSA-N 445.434 7.293 30 50 IKEA biogenic CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 993756 JONSVWVNVJWECN-SANMLTNESA-N 431.580 5.696 30 50 IKEA CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Br)c1 1158179 PGTIBMBTHRDQCM-UHFFFAOYSA-N 445.353 5.555 30 50 IKEA COc1ccc(/C=N/n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1Br 2706390 OEPAZHJHUXFALX-WSDLNYQXSA-N 445.386 5.558 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)cc1)OCCO3 4794490 YHSOMHJNKIFCNX-NRFANRHFSA-N 440.337 5.421 30 50 IKEA C=CCn1c(CN(C)Cc2cccc(-c3ccccc3C)c2)nnc1SC[C@@H]1CCCO1 14994193 MNOYHYIPFMHJQF-QHCPKHFHSA-N 448.636 5.343 30 50 IKEA CCCCCCCCCCOC(=O)C[n+]1cccc(C(=O)Nc2ccc(Cl)cc2)c1 100857628 YFKZPJSMOLDEHW-UHFFFAOYSA-O 431.984 5.564 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 255204281 CTSXUIWIOTUWDC-SWCLGKIHSA-N 442.728 6.996 30 50 IKEA biogenic O=C(NC1CCCCC1)c1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 825513223 HGFCINQORDMBLD-DHRITJCHSA-N 435.420 6.747 30 50 IKEA COc1ccc(Cl)cc1C#CCN(Cc1ccccc1C)c1ccc2nc(O)[nH]c2c1 2325867388 UNLUEOPIJXQBHB-UHFFFAOYSA-N 431.923 5.297 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 717022 WQWIPDQACZGAQA-XMMPIXPASA-N 433.523 5.216 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccs1 1066828 SEFUVLYZRQMWHS-NYHFZMIOSA-N 427.953 5.326 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 1132873 QHBICNYMJNTCBC-RBZFPXEDSA-N 432.303 5.121 30 50 IKEA CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C 2958533 RPPYXCKNRBBYJV-UVHMKAGCSA-N 442.947 5.102 30 50 IKEA C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Br)cc1 12343301 KDJZJWFRDXECQO-OGLMXYFKSA-N 443.348 6.409 30 50 IKEA COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@@H]3C)n2)cc1 12385125 RSKKVRFQJUXVDX-AWEZNQCLSA-N 449.498 5.141 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(C[C@H](c3ccco3)CC2=O)N1 16294220 OYBXZWOJWFPKQS-AFMDSPMNSA-N 443.499 5.286 30 50 IKEA C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O 257357608 PBCULPOTNCGYFY-IQMZCNMPSA-N 442.596 5.328 30 50 IKEA C=C(CN1CCC[C@@H]1c1ccccc1Cl)C(=O)N[C@H](c1ccccc1)c1cccnc1 2325826361 ZVXSDBPCJMECGP-JWQCQUIFSA-N 431.967 5.334 30 50 IKEA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 681890 GLQSVDUEQKXPIZ-NSYGIPOTSA-N 445.906 6.228 30 50 IKEA CS[C@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1145234 JYUVZCUGGYUEOC-WMZOPIPTSA-N 444.569 5.829 30 50 IKEA Cc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1/N=C/c1ccc(Cl)cc1Cl 2831339 KELFTGPZQBEERX-LYXAAFRTSA-N 436.169 8.110 30 50 IKEA CCOc1ccc(-c2cs/c(=N/N=C(\C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 8765911 KDLOFESDRVHGBL-TVLFCFFTSA-N 447.991 6.583 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@@H]2c1ccc(F)cc1 9065872 QBBPTIJQORIYBA-AREMUKBSSA-N 440.518 6.279 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1F 9472402 PLILWHSEBIIFHH-HXUWFJFHSA-N 425.843 5.159 30 50 IKEA C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccc2ccccc2c1 23550118 BYBWEFGYDAXGQI-OVVQPSECSA-N 431.503 5.958 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O 257471616 LEKUPXHLKIIVCR-AFEUKDTBSA-N 430.629 6.388 30 50 IKEA biogenic C#CCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCc1ccccc1 2839214 SQILSAYFDRREIT-UHFFFAOYSA-N 431.102 5.020 30 50 IKEA O=C(O/C(=C\Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl)c1ccccc1 3106372 YRROTLVBHHAGRH-MOSHPQCFSA-N 430.262 6.126 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Oc1cccc2cccnc12 100815800 FTYAGUVZSBNZKR-UHFFFAOYSA-N 440.672 8.585 30 50 IKEA C=C(CN1CCC[C@H]1c1ccccc1Cl)C(=O)N[C@H](c1ccccc1)c1cccnc1 2325826362 ZVXSDBPCJMECGP-LOSJGSFVSA-N 431.967 5.334 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 844129 SJNPZJQFLYAIKK-SBUREZEXSA-N 439.914 5.404 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4ccc(C(=O)OC)cc4)c3c2C1 25559697 KGDVACCFUJRFCB-BMAFUFKNSA-N 436.581 5.465 30 50 IKEA CCCCCCCCCC(=O)N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 97950790 NUENIKSMRXNLSG-NRFANRHFSA-N 443.846 7.205 30 50 IKEA C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 253598146 MQYXUWHLBZFQQO-MUMFRDAQSA-N 426.729 8.025 30 50 IKEA Cc1ccc([C@@H](O)c2ccccn2)cc1N=C(O)C[C@H](C)c1ccc(C(F)(F)F)cc1 328591509 NOJSUQRFZNVUIH-QMHKHESXSA-N 428.454 6.272 30 50 IKEA Cc1cc(C(C)(C)C)cc(C)c1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 334163617 YXGLUWIXSPJAHF-XNTDXEJSSA-N 432.991 7.729 30 50 IKEA Cn1c(=O)n(C)c2cc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)ccc21 756560 ZXFAIFYZBLBLBA-AREMUKBSSA-N 437.543 5.340 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccc1N2 9264213 GIXZSSHMMHVCAO-QHCPKHFHSA-N 433.895 6.145 30 50 IKEA COc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c2ccccc12 100349413 OORKKSKEWRJWDI-DEOSSOPVSA-N 448.559 5.708 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2sc3c(c2c1=O)CCC3 628515 TWULKHZKCIIPLC-UHFFFAOYSA-N 447.585 5.017 30 50 IKEA C[C@@H]1CCc2c(sc(NC(=O)c3cccc4c(Br)cccc34)c2C#N)C1 1127680 NFVHGMOUROWBMV-GFCCVEGCSA-N 425.351 5.913 30 50 IKEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 5944478 AZHAMPANSBXJOC-WPWMEQJKSA-N 445.588 5.300 30 50 IKEA CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 8926902 FXNBYLPGDWPUPX-IQMFZBJNSA-N 441.618 5.685 30 50 IKEA CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 16346450 RJDAKOJTSQFYTN-CQSZACIVSA-N 436.364 5.143 30 50 IKEA CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681788 JNMMIYWYYKPWFO-BQYQJAHWSA-N 430.248 7.252 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253498702 MQYXUWHLBZFQQO-FTPWLFHRSA-N 426.729 8.025 30 50 IKEA biogenic,in-vitro COc1cc(COc2ccc3ccccc3c2[N+](=O)[O-])ccc1OCc1cccc(C#N)c1 2325865770 PULIJSHLWKRBCI-UHFFFAOYSA-N 440.455 5.786 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl 1201889 NICAULMNTWUNIH-NYHFZMIOSA-N 442.342 5.528 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccccc1Br 2963216 ZPZPVZWRHWQWNS-DEOSSOPVSA-N 432.361 6.912 30 50 IKEA CCCCCCCCCC[C@@H](C(=O)OCCCCCCCC)[N+](C)(C)Cc1ccccc1 100657837 YAOFSWKXOGLWQK-NDEPHWFRSA-N 446.740 8.066 30 50 IKEA CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCCO 2773363 PQDRYJRFUAPZNV-MHZLTWQESA-N 429.516 5.283 30 50 IKEA CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4043997 LPRZIIKGLMNTQR-LVXARBLLSA-N 444.575 5.067 30 50 IKEA Cc1nccn1Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(C)(C)C#N)c2)cc1 2325875801 CCEFNKDSESVMTG-UHFFFAOYSA-N 426.442 5.312 30 50 IKEA Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(Cl)c1 2756821 SUJMRLHEGFTHJI-KMKHTYBGSA-N 443.333 8.371 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccccc2OC)C1=O 2898886 RAYLBJICONGNLU-RCCKNPSSSA-N 431.513 5.392 30 50 IKEA CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(N(CC)CC)cc1 6783354 FVHTXFRNIZYBKQ-UHFFFAOYSA-N 425.580 6.600 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2C)cc1 8439394 OBYCXPGPWMCKQI-VWLOTQADSA-N 445.559 5.351 30 50 IKEA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 10013728 AKJOCDSTXIQCNT-XMMPIXPASA-N 447.554 5.134 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 15837298 QSNGWVCACHVZBJ-OAQYLSRUSA-N 445.321 5.739 30 50 IKEA CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 217910963 OSGKGPMIZSAPTI-JOCHJYFZSA-N 448.559 6.736 30 50 IKEA biogenic Cc1ccc(C2(CNc3oc([C@@H]4C[C@@H]4c4cccc(F)c4)nc3C#N)CCCCC2)cc1 1857798496 KADKOEVPZCIPIQ-DHIUTWEWSA-N 429.539 6.579 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 630729 HEGVWABNIAPBMT-DWXRJYCRSA-N 430.935 6.328 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1 681734 MNMDEHXZKFJNTK-GKVSMKOHSA-N 443.459 5.108 30 50 IKEA N#Cc1cc2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2 1010045 AUDWJWPPGXXWJQ-UHFFFAOYSA-N 425.863 5.235 30 50 IKEA C=C(C)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 1833406 NPBOWTNVEQIBAF-HNNXBMFYSA-N 436.606 5.511 30 50 IKEA O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccc(F)cc1)c1cccs1 11867670 VIBOKXOLACOGOL-WEVVVXLNSA-N 431.282 5.765 30 50 IKEA COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 12730131 LVNLWCCVSQOFEF-LMTJQJACSA-N 444.556 5.377 30 50 IKEA O=C1CCCC2=C1C(c1ccc(-c3ccc(Br)cc3)o1)C1=C(CCCC1=O)N2 636894 DDCVWIWOPKYPHM-UHFFFAOYSA-N 438.321 5.410 30 50 IKEA CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 805509 BFLSOFSVIURLKS-WTYVLRPYSA-N 440.543 6.073 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 2757846 RWXTWGDPYNQHNG-OFVILXPXSA-N 447.600 5.345 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 9110962 RRJSWOPLLUZWEN-OAQYLSRUSA-N 437.854 5.271 30 50 IKEA CC/C(=N\c1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCC(C(N)=O)CC1 1857798852 DCYLQUGYCBKIIV-SZXQPVLSSA-N 432.593 5.423 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 702610 MVCVIBZAIIIDLV-HXUWFJFHSA-N 433.533 5.061 30 50 IKEA N/C(=N\OC(=O)N1c2ccccc2Sc2ccccc21)c1cccc(Br)c1 16426414 JRRSEONXCRUROK-UHFFFAOYSA-N 440.322 5.509 30 50 IKEA O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 1015775 ZSWLOYHPSHLOFC-UOODYVSWSA-N 435.936 5.505 30 50 IKEA C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 9512372 BHJIBJSFOXOHQP-QFIPXVFZSA-N 449.890 5.276 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 35973803 RUCSBLGADDDLHI-GYDRKIPBSA-N 445.559 5.399 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1120524 COVPLLUFWZDQIK-FYYLOGMGSA-N 433.548 5.050 30 50 IKEA COc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1 2531229 JHYGDRPMURPOIA-ZVHZXABRSA-N 431.989 5.058 30 50 IKEA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)C1 35897872 BDGUZVIBYQBJJB-YZGWKJHDSA-N 434.561 5.278 30 50 IKEA CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253586541 DOMWKUIIPQCAJU-IHFIBMCWSA-N 428.613 5.970 30 50 IKEA C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 755586 ASKWCVANZBJACO-UGKGYDQZSA-N 443.410 6.037 30 50 IKEA CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 1213035 IEZGPYRAYNHBCB-ZUOKHONESA-N 435.486 5.651 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 8973178 LGCLOXHLFLSDOV-KOSHJBKYSA-N 437.926 6.035 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 257355246 ZGLHBRQAEXKACO-LLKVAECLSA-N 428.657 5.727 30 50 IKEA Brc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 4552025 IJYBZIUXKUAZCE-PCLIKHOPSA-N 429.321 6.019 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 9008062 HPKWGWGFCANSHR-VWLOTQADSA-N 447.535 5.784 30 50 IKEA CNc1nc(Cl)nc(Nc2ccccc2SC(F)(F)C(F)(F)C(F)(F)F)n1 22016248 WYIHIPJUKDNOFO-UHFFFAOYSA-N 435.756 5.193 30 50 IKEA Cc1ccc(C2(CNc3oc([C@H]4C[C@@H]4c4cccc(F)c4)nc3C#N)CCCCC2)cc1 1857798498 KADKOEVPZCIPIQ-PKTZIBPZSA-N 429.539 6.579 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781300 CYRJXPPPAOQGQD-GAJHUEQPSA-N 439.552 5.448 30 50 IKEA CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013706 MTTFLXDXMWWTIH-XMMPIXPASA-N 448.538 5.467 30 50 IKEA CCOC(=O)c1cc(C(F)(F)F)sc1N=C(O)c1cc(F)ccc1Br 328595052 JOIGKRNGHVJULK-UHFFFAOYSA-N 440.212 5.482 30 50 IKEA Clc1ccc(Cl)c(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 328597620 ICZAQCVWJKWZSN-BRJLIKDPSA-N 427.722 6.703 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 681877 UNQYSMUMZWEZGU-QYBDOPJKSA-N 441.487 5.583 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc([N+](=O)[O-])cc4)c3c2C1 6462300 UNCNVXBRFJEQID-JOBSNELWSA-N 437.569 5.977 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S 12343720 GJPFNTOSGVRMJI-WOJGMQOQSA-N 436.385 5.960 30 50 IKEA CCCCOc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1 100179571 UVQWRJOSHCXJBL-RGVLZGJSSA-N 427.136 5.847 30 50 IKEA Brc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 239173735 OODAPYZVOYIJIK-UHFFFAOYSA-N 432.365 5.171 30 50 IKEA CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O 1422236 FKVZOHKDOHNOCL-UHFFFAOYSA-N 445.353 5.555 30 50 IKEA CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 8926755 FXNBYLPGDWPUPX-WNSKOXEYSA-N 441.618 5.685 30 50 IKEA COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 9264218 QRQLZJVNQOGLIB-XMMPIXPASA-N 429.476 5.501 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(SC)cc1 1130156 SAXCBFNQTZAPLH-CYFREDJKSA-N 433.573 5.333 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 9065288 REPOGVPKXXNEMH-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 18059796 RYVDBLNLUOGLOD-OYHNWAKOSA-N 427.887 5.628 30 50 IKEA COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 18324510 HEQSNBCMHSCOIC-XMMPIXPASA-N 436.552 5.551 30 50 IKEA O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)Oc2ccc3ccccc3c21 1775964757 BPLTWHNGQDLUEV-SXGWCWSVSA-N 446.094 5.687 30 50 IKEA CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 100061149 SRINSKRTFYOAQP-UHFFFAOYSA-N 438.678 6.405 30 50 IKEA Cc1ccsc1CN(Cc1ccco1)c1oc(-c2cccc3ccccc23)nc1C#N 170623783 ZLSFMDGGBCIDNP-UHFFFAOYSA-N 425.513 6.536 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1c[nH]nc1-c1ccc(F)cc1 718234 PDHZCNLVKYEUQO-DEOSSOPVSA-N 438.506 5.965 30 50 IKEA CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 864501 OEWFOONBCNVTMJ-QHCPKHFHSA-N 430.479 5.123 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 2073017 NEUHYIQTLUDKOE-KSFYIVLOSA-N 441.980 5.716 30 50 IKEA CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 4098969 ZXQYGBMAQZUVMI-XYRWEVSHSA-N 449.856 6.544 30 50 IKEA in-man CS(=O)(=O)/N=C(\O)CCCCCCCCCC=C(Br)Br 27638522 BDCZFOHEQGRTBW-UHFFFAOYSA-N 433.206 5.045 30 50 IKEA in-vitro CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccc(Cl)cc1 100529861 CFFBXGRDDPXUES-AWNHJDIYSA-N 436.389 5.987 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 2776231 BJAQRJZBQYOTIL-UQBPGWFLSA-N 449.522 5.149 30 50 IKEA Cc1ccc2occ([C@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 4081885 LXUSMDMQPSEYKW-RUZDIDTESA-N 428.532 5.940 30 50 IKEA biogenic COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccc(Cl)cc2)cc1 4546626 BDJDWCPJUGITMR-SXOMAYOGSA-N 439.942 7.166 30 50 IKEA Oc1ccc(Br)cc1/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 8434869 SJJRXZMXRBDOLO-ZVHZXABRSA-N 446.308 5.120 30 50 IKEA C=C(Cl)COc1cc(CN(C(=O)c2cccc3c(C)c(C)[nH]c23)C2CC2)ccc1OC 14986578 HVFKKGVXBGXSEK-UHFFFAOYSA-N 438.955 5.729 30 50 IKEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 20617928 SQQAKIHQSHVXGW-ZVBGSRNCSA-N 435.292 5.188 30 50 IKEA CC1(C)OB(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)OC1(C)C 205214311 QVMVGEABPNCFOY-UHFFFAOYSA-N 445.371 6.750 30 50 IKEA CCOc1ccc(N=C(C)/C=C2/SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 334157277 SWONQMMWZNRXGB-USRLXUPTSA-N 430.573 6.118 30 50 IKEA CCCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772491952 NKJYZYWCGKSMSV-UDJHPYLYSA-N 442.640 6.360 30 50 IKEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3Br)n[nH]c2=S)cc1 9009782 WLVWBARTACPUQP-FYJGNVAPSA-N 430.375 5.099 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 18143244 GDCZHXZFINBTRP-QYBDOPJKSA-N 430.935 6.328 30 50 IKEA Cc1cccc(C(=O)N[C@H](NC(=S)N=C2CCCCCC2)C(Cl)(Cl)Cl)c1 25579564 ZTQKUTFMPHGORH-MRXNPFEDSA-N 434.820 5.091 30 50 IKEA CCOc1c(Br)cc(/C=C(/C(=O)c2ccccc2C)c2ncc[nH]2)cc1OC 170605425 KIUPOFCAJUHYLD-BOPFTXTBSA-N 441.325 5.311 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCCC1 6457050 QEZMFCYVVKDYKG-UHFFFAOYSA-N 425.863 5.007 30 50 IKEA CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 9070012 GGWPTCMCWGXRBJ-DEOSSOPVSA-N 448.636 5.263 30 50 IKEA COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1 9993318 JRZVUVPVECGDJQ-OAQYLSRUSA-N 442.496 5.088 30 50 IKEA CC(=O)Nc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n23)cc1 17179840 KGYNRTBLXDPDRW-UHFFFAOYSA-N 425.536 5.958 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1C 100856185 KCJYGMRJLFKITG-UHFFFAOYSA-N 437.112 9.031 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 720842 HDMIDZMGSQUFQA-ADXZGYQBSA-N 446.506 6.031 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1O 815895 XYKAAHIVTFOQNE-DWXRJYCRSA-N 426.516 5.689 30 50 IKEA Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-] 861113 MBGAFOVYUZEWKC-BCHFMIIMSA-N 425.488 5.883 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19643587 GSKDVKZRDSPPOD-SIBVEZHUSA-N 445.534 5.673 30 50 IKEA Cc1ccc(S(=O)(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 25504483 DGSFTVYWFLOFEW-JVWAILMASA-N 448.519 5.179 30 50 IKEA C=CC(=O)OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103548157 UOJGGAYAADUVAH-UHFFFAOYSA-N 446.203 5.625 30 50 IKEA CC1(C)CC(=O)C(C(=O)/C=C/c2ccccc2)=C(Nc2ccc(/N=N/c3ccccc3)cc2)C1 108660428 VVCBJCWLONXDOC-BUTQLZCGSA-N 449.554 7.440 30 50 IKEA CC[C@@H]1CCc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)c(C(F)(F)F)c2C1 663961 MHNJJFZWMXVMNH-CYBMUJFWSA-N 449.498 5.226 30 50 IKEA Cc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1 983552 KUMNMCKEKMGNPU-UHFFFAOYSA-N 426.501 5.315 30 50 IKEA aggregator NC1=C(C(=O)c2ccccc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1c1ccccc1 1126440 DEYAMEJWYONLPR-QHCPKHFHSA-N 426.541 5.412 30 50 IKEA C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O 100016433 DJXFYPCZCCPBLC-PEWMHEOSSA-N 426.641 5.481 30 50 IKEA in-vitro COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1 217824201 CZGGGGKWSISETH-HQOKVJKCSA-N 434.394 5.031 30 50 IKEA biogenic C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 2508664 ODWJMLVLFSNEIS-UHFFFAOYSA-N 438.622 5.412 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 2865471 WTTUQZJIHKVTAA-HXUWFJFHSA-N 443.761 6.792 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@H]3CC[C@@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 252441232 LISUREDJGUCUNG-ITILSLBESA-N 439.640 5.677 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781243 CTKAJFWUYWTFMS-BXKMTCNYSA-N 449.572 5.301 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 1107175 KVBFJHWUHYHGJR-SSOJOUAXSA-N 445.906 6.228 30 50 IKEA C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1c2ccccc2cc2ccccc12 19773240 DILMKSVHAOTWTL-NJZRLIGZSA-N 429.567 6.298 30 50 IKEA COc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 25694735 GRWCASRCDQYMNO-UHFFFAOYSA-N 445.559 5.928 30 50 IKEA C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 1857525276 FVWJYYTZTCVBKE-ZWPFISNSSA-N 442.728 6.997 30 50 IKEA N#Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N 1225236 GCQXFKBSPSLVPY-UHFFFAOYSA-N 438.446 6.425 30 50 IKEA O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Br)cc1)c1ccccc1 1191442 GDSCIDHNTHTSNE-NRFANRHFSA-N 449.373 5.262 30 50 IKEA COc1cc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 1215700 ZCEACTMKSLSULO-WINIVTDRSA-N 426.516 5.689 30 50 IKEA C=C[C@@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 43762863 QRKKLUUKPHEPNI-KLORDNOQSA-N 436.658 5.855 30 50 IKEA CCCCCCCCCCCCCCCCC1C(=O)CCCCCCCCCCCC1=O 101020888 AGHBODRJGSWKSS-UHFFFAOYSA-N 448.776 9.917 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@H](O)[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 1772820401 CTSXUIWIOTUWDC-RLONVYOGSA-N 442.728 6.996 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc(C(F)(F)F)c1 1132844 OAGBZAFLRCGTBD-VFNWGFHPSA-N 445.437 5.223 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1cccc(Br)c1 1171356 YTQYBNLISSVMAD-QHCPKHFHSA-N 433.349 6.307 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 4064491 XSNLCTYJONDVHU-DXPJPUQTSA-N 448.925 6.467 30 50 IKEA biogenic,in-vitro C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CC[C@H]1C)CCC21SCCS1)C1SCCS1 43762230 CPGWNLKFCZHRGO-UAMLPYHUSA-N 442.781 6.439 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2[C@@H]1CC=CCC1 169678648 SBXTZUYFCSRDJV-HRFSGMKKSA-N 447.623 5.299 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 257350205 VOPZSPZAIPUPAF-WROCLWCASA-N 444.637 5.681 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 626641 CIBONHSIKNWTJP-HXUWFJFHSA-N 434.363 5.837 30 50 IKEA C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 15010570 PDBQGNNADIOVED-WQRHYEAKSA-N 448.327 5.251 30 50 IKEA COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 27547204 FMXAVHXMSUUXJW-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 101022342 GEVYEZSWYNSSOX-MRXNPFEDSA-N 438.852 5.536 30 50 IKEA CCCC[C@@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@H]2C1(C)C 135984321 WEAZETIELYIGMB-ZGNKEGEESA-N 430.386 5.636 30 50 IKEA C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 253598145 MQYXUWHLBZFQQO-KPWJMACCSA-N 426.729 8.025 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 254397364 FVWJYYTZTCVBKE-YLGWIKJRSA-N 442.728 6.997 30 50 IKEA Cc1cc(C)c(/C(O)=N/[C@H]2CC(C)(C)Oc3ccc(N=C(O)OC(C)(C)C)cc32)c(O)n1 328594217 ZMGRJTCZQJJSNY-KRWDZBQOSA-N 441.528 5.372 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1O 815894 XYKAAHIVTFOQNE-QYBDOPJKSA-N 426.516 5.689 30 50 IKEA CC(=O)Nc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1135008 KWZFNXJXMQGOAQ-PIKZIKFNSA-N 437.543 5.933 30 50 IKEA C=CCc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1O 1135982 LCPKKKLPZYJXGV-ZDLGFXPLSA-N 447.965 5.197 30 50 IKEA CCCCCCCCNC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 68572361 RNPHXLSPRVYDHZ-UHFFFAOYSA-N 430.661 6.803 30 50 IKEA biogenic COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1OC 812846 WDIGNQZYAIJBOV-DNOBIOAJSA-N 444.506 5.822 30 50 IKEA C=CCn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccc(OC)cc3)nc12 854901 XJTBMISVABPISP-UHFFFAOYSA-N 438.556 5.938 30 50 IKEA Clc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 2756829 RCBUSTNKLMRFRJ-ZOMGDLOTSA-N 427.718 7.871 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 2772131 VWUKHNZLIVHJRM-QHCPKHFHSA-N 425.544 5.696 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCc2ccccc2)cc1 16447596 DGXSOXOBGCYYPX-UPVQGACJSA-N 437.539 5.578 30 50 IKEA CCOc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 16675961 QXRCGNPMXFPVBT-UIZNLQPJSA-N 447.966 5.506 30 50 IKEA Cc1ccc(S(=O)(=O)/N=C(/Nc2ccccc2)c2ccccc2Br)cc1 18029419 DNWCEZSQAPLOIB-UHFFFAOYSA-N 429.339 5.005 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(CC)cc3)cc2)SC1=S 22257468 MUIWLGFMGOTAKR-OQKWZONESA-N 439.602 5.484 30 50 IKEA C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 33422561 QUSNHTFPYFAUBN-KGENOOAVSA-N 447.585 5.244 30 50 IKEA COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C1=O)cn2C 263584852 BOVLCVNHEUDVOJ-GRKWUUPQSA-N 431.488 5.242 30 50 IKEA biogenic Cc1ccc([C@@H](O)c2ccccn2)cc1N=C(O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 328591510 NOJSUQRFZNVUIH-WAIKUNEKSA-N 428.454 6.272 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1 1213056 WHXBHKJHHJDCRF-AREMUKBSSA-N 445.559 5.433 30 50 IKEA O=C(C[n+]1cc(Br)cc(Br)c1)c1ccc(-c2ccccc2)cc1 1595203 KAMDMTWEMPCDNX-UHFFFAOYSA-N 432.135 5.049 30 50 IKEA COc1ccc(/C=C/C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1 5401267 DXFKNFZSPGMPRA-WYMLVPIESA-N 432.907 5.651 30 50 IKEA COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 9041174 DYQWWXXDCPZJAQ-HSZRJFAPSA-N 431.488 5.190 30 50 IKEA CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 9070016 GGWPTCMCWGXRBJ-XMMPIXPASA-N 448.636 5.263 30 50 IKEA Oc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 16512874 LVKWHTBUOVAUNW-MFKUBSTISA-N 445.320 5.725 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 17163334 WIELBMCPGVDHMH-RUZDIDTESA-N 436.983 6.529 30 50 IKEA C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 102229593 IOPDFSGGBHSXSV-IMLFCHQCSA-N 442.728 6.996 30 50 IKEA N#Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1C#N 754203 XVRXKHSZIXZIIP-UHFFFAOYSA-N 442.478 5.602 30 50 IKEA COc1cc(OC)c(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1Br 1229079 YQQCBNKRCOUEET-ZVHZXABRSA-N 439.309 5.469 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 4064686 GTAYUCKXHAMCRM-WVXBCFDCSA-N 446.550 6.828 30 50 IKEA C=CCc1c(C)nc(Sc2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)nc1O 18100379 NNBPSDYVRGRLBD-UHFFFAOYSA-N 435.936 5.532 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccccc2)cc1 18324460 CHAKSZGALGQIOW-RBTNQOKQSA-N 438.527 5.616 30 50 IKEA Cn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 1130735 VORLTAZAJWRHPN-UHFFFAOYSA-N 443.507 5.037 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 1198566 XPTURDIPIQPZTM-HSZRJFAPSA-N 433.508 5.394 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 2755325 NDYYYUREJCRBGO-SANMLTNESA-N 427.544 5.807 30 50 IKEA C[C@]12CC[C@@H](OS(=O)(=O)c3ccc(F)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257348117 BNXIOYCVQJVXLJ-JDZMTYJOSA-N 434.617 6.332 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 1215723 ZWWQNXGKAQKWCX-XDHOZWIPSA-N 431.966 5.315 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3F)C2)[C@@H]1c1ccccc1 17044111 MMIBLOSSVCAZDX-WINIVTDRSA-N 426.491 5.746 30 50 IKEA CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N 59278044 WRGKROVGVSWJMI-UHFFFAOYSA-N 445.910 5.458 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4cc(OC)c(OC)cc4c3)n2)cc1 2325866773 ZMFJCNYTSDCQRR-HXUWFJFHSA-N 444.512 5.479 30 50 IKEA CC[C@H]1CCc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)c(C(F)(F)F)c2C1 663958 MHNJJFZWMXVMNH-ZDUSSCGKSA-N 449.498 5.226 30 50 IKEA CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 8860496 LGOFBZUQIUVJFS-LOSJGSFVSA-N 427.714 6.666 30 50 IKEA biogenic,in-vitro CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 9762893 DUNRWRKRPPMHOD-QHCPKHFHSA-N 439.353 5.756 30 50 IKEA N#Cc1c(SCc2ccc(Cl)nc2)nsc1SCc1ccc(Cl)nc1 12374858 FOMWYTMIXIIIOB-UHFFFAOYSA-N 425.391 5.696 30 50 IKEA Brc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cccnc3)n2)cc1 13304965 BDCSUSLGGSUOBI-MFKUBSTISA-N 430.309 5.414 30 50 IKEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@H]32)C1 257349962 SWTNFHMWIPZFLE-GUHVTRCWSA-N 448.647 6.860 30 50 IKEA COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 832973 CERUAOPVNNYCQJ-RUZDIDTESA-N 428.488 6.066 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccccc1C 1049297 MKJLPCDELOBQKE-UHFFFAOYSA-N 435.597 5.017 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)o2)C2=C(C[C@H](c3cccs3)CC2=O)N1 8857450 RJURTOCYQLFIPM-UPCLLVRISA-N 437.561 5.497 30 50 IKEA Cc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 239229113 USOLBVYBTREFQK-MOXQZVSFSA-N 434.561 5.570 30 50 IKEA CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348900 JVBJMRIVVNLPKI-HYUIFOCXSA-N 433.677 6.024 30 50 IKEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2 2801387 JTOFCINAFOCETG-NRFANRHFSA-N 445.943 5.016 30 50 IKEA COc1ccc(Br)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 20258400 QGQQLRXVVRUWGI-SSDVNMTOSA-N 449.757 6.176 30 50 IKEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1145717 YYOIKJDQMGWVTK-LUOAPIJWSA-N 440.334 5.454 30 50 IKEA CCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCC 56898843 WITKSCOBOCOGSC-VWLOTQADSA-N 440.709 8.303 30 50 IKEA in-man CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O 60258615 KHICUSAUSRBPJT-RTWAWAEBSA-N 428.610 6.196 30 50 IKEA biogenic CCCCOc1ccc(/C=N\CCCCCC/N=C/c2ccc(OCCCC)cc2)cc1 100178902 YVCZIWWQPNEJPY-UEUMJKGWSA-N 436.640 7.143 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]12C 257346886 CYPQELKXBYBDOE-NPWAFTFVSA-N 446.628 5.154 30 50 IKEA Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)n1 1445935 PKJKYYBQYAYJRF-UHFFFAOYSA-N 429.501 5.316 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1OC 9559907 GIPWOQUJELTBGT-CZUORRHYSA-N 446.330 5.015 30 50 IKEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@H]32)C1 257349965 SWTNFHMWIPZFLE-YSYRZKQJSA-N 448.647 6.860 30 50 IKEA C#CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1Br 409122098 XIADUGAXBLETDW-UHFFFAOYSA-N 439.147 5.234 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 666747 PPJAPMPUIWUORI-NLFFAJNJSA-N 449.978 5.901 30 50 IKEA CCCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2c(nc3ccccc32)c1C#N 1472975 HZCZTCLDLAILOH-UHFFFAOYSA-N 429.955 5.292 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 9041728 AZRWCPUUKODWHN-QFIPXVFZSA-N 428.454 5.868 30 50 IKEA Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 20607090 GVLSWSACVYVIHL-OAHLLOKOSA-N 436.606 5.850 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc(Cl)cc4)c3c2C1 25559736 AMFYFSVVIFQCJF-NKZWWHGNSA-N 427.017 6.722 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)cc1 8809656 PVTJDUKPZSKMBL-UHFFFAOYSA-N 442.971 7.242 30 50 IKEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 16447546 JEOYTJHJEPVVGE-QUGAMOGWSA-N 428.463 5.534 30 50 IKEA CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@@H]4[C@]3(C)C[C@H]1O2 257350328 WJIXKJVODIQPNM-MIPFYYDASA-N 444.700 7.376 30 50 IKEA CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(F)cc2)C2=C1CCCC2=O 1156575 IBXHWAXPRLFMNL-UHFFFAOYSA-N 445.534 5.838 30 50 IKEA Cc1ccsc1[C@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 1431973 WWBBNFSDPRWCRJ-INIZCTEOSA-N 436.602 5.786 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 3978650 FVWJYYTZTCVBKE-ROUWMTJPSA-N 442.728 6.997 30 50 IKEA biogenic,in-vivo C=C(C)C(=O)OCCCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 14401218 RLWDBZIHAUEHLO-UHFFFAOYSA-N 427.932 5.129 30 50 IKEA OC(CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1 19791466 DYNBIXHMDUFZFS-UHFFFAOYSA-N 431.579 6.018 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)c(Cl)c1 20249328 LSLVFBNUHJWXAG-UHFFFAOYSA-N 449.363 5.177 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccs1 1066833 SEFUVLYZRQMWHS-OYHNWAKOSA-N 427.953 5.326 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 1169241 OKUJJDNMJVPNGC-JOCHJYFZSA-N 425.326 5.366 30 50 IKEA O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 1170839 BVOIPXPHYXLSCY-AKJBCIBTSA-N 444.918 6.048 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 2775345 ZFAYHMDKIHHFJC-HOYKHHGWSA-N 435.951 5.655 30 50 IKEA N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(=O)c1ccccc1 2835463 JEFKSJFYIBGQKO-MUUNZHRXSA-N 432.523 6.173 30 50 IKEA C#CC[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 1875318108 MORWPVGUBKMGDD-OAHLLOKOSA-N 427.426 5.093 30 50 IKEA N#CCCn1cc(C(=O)N(c2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 3356883 NBFQKKHTWKVASG-UHFFFAOYSA-N 437.459 5.350 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 4078025 NNEXSNHINRWDGU-PUAOIOHZSA-N 435.354 6.973 30 50 IKEA CCCCCCCCCCCNc1c(CCCC)c(C)c(C#N)c2nc3ccccc3n12 100693292 UODXDQMZUTUBOD-UHFFFAOYSA-N 432.656 7.953 30 50 IKEA C#Cc1ccc(C(=C(c2ccc(C#C)cc2)c2ccc(C#C)cc2)c2ccc(C#C)cc2)cc1 169468291 LPAXHPNUGIPWEA-UHFFFAOYSA-N 428.534 6.619 30 50 IKEA O=C1CCCC2=C1C(c1cccc(OC(=O)c3ccccc3F)c1)C1=C(CCCC1=O)O2 659991 NXCGOXIBMHWXGN-UHFFFAOYSA-N 432.447 5.173 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 861124 FLWSURSIFHMWID-QUGAMOGWSA-N 441.487 5.583 30 50 IKEA Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1Br 100454362 FTGPCBHDKGQKTR-REZTVBANSA-N 433.925 5.430 30 50 IKEA O=C1CCCC(O)=C1[C@H](Sc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 101082253 UXFUODISDMCESE-WNDOJPOZSA-N 438.592 7.010 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccc(Br)c1 239235319 VTNNTZKPGDKDRD-UHFFFAOYSA-N 428.142 5.185 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 245227745 UILXPFRZQGQVFT-IWOXOBLGSA-N 442.546 6.174 30 50 IKEA biogenic O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 1118589 FCZJQKYLOUNOCD-IBGZPJMESA-N 428.271 5.365 30 50 IKEA COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1COc1ccc(C(C)(C)C)cc1 2791705 MOZWPNDAKZVMBF-BRJLIKDPSA-N 446.523 5.272 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1 9007666 PCRKUKVZFKDURX-HXUWFJFHSA-N 434.289 5.232 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 18155901 AUGPVCVOLVUIRU-CRICUBBOSA-N 432.907 5.854 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 626571 RTRJDKRKYJMMAP-LJQANCHMSA-N 432.358 5.005 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 9363608 YPIBYYRTHJTVPV-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 20606254 YBSVIYLDKAMQIP-ZIAGYGMSSA-N 427.526 5.085 30 50 IKEA CC(/C=C1/SC=C(c2ccccc2)N1c1ccccc1)=Nc1ccc(Br)cc1 820390499 BHEYWZCXCCAHMO-DCQUCEEBSA-N 447.401 7.635 30 50 IKEA CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 1875390512 KJCIEPRMJJUJPF-TWEDPHMCSA-N 445.695 7.625 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 822767 URHCQHNCKYUNEI-NTKDMRAZSA-N 435.951 5.653 30 50 IKEA Cc1nn(C)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2 2112737 SVHWGRXZNDGIFN-WGFYCLKKSA-N 440.657 5.754 30 50 IKEA N#C[C@]1(c2cc(Br)ccc2OCc2ccccc2)CCC(=O)N1c1ccccc1 2871367 KZYOIJKSCMSKOW-DEOSSOPVSA-N 447.332 5.574 30 50 IKEA CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 4065118 HFWYMXXBUFGSLR-PPHZAIPVSA-N 444.962 6.718 30 50 IKEA CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)OC1(C)C 201728436 NOKGBAFEPZZGCE-UHFFFAOYSA-N 447.387 7.123 30 50 IKEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2c3ccccc3cc3ccccc23)cc1 239025278 BIQMPKOUVFGZMK-UHFFFAOYSA-N 436.584 6.720 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 628602 YHWWFAYHZHMFBP-HSZRJFAPSA-N 439.939 5.767 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 986587 ZTASUGYKTPNPGU-AFMDSPMNSA-N 442.584 6.305 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1184507 XWIKZAASTVWJOU-IIBYNOLFSA-N 427.591 5.370 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1 18206702 RFGAFOURCLUOMA-CCLHPLFOSA-N 442.946 6.261 30 50 IKEA CCCCCCCCCCOc1ccc(C(=O)NCCN2Cc3ccccc3C2=O)cc1 100286374 ALYYZVRSZQAOBM-UHFFFAOYSA-N 436.596 5.592 30 50 IKEA O=C1c2ccccc2/C(=N/N=C/c2ccco2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 100487594 XVNQCDWPODPSOG-UDJHQSBFSA-N 432.479 5.317 30 50 IKEA CSc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 1130364 KUGQVAHDEZEQDF-WRONEBCDSA-N 448.591 7.024 30 50 IKEA CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1429781 XMIISBOWIQSXLS-MAUKXSAKSA-N 429.347 5.187 30 50 IKEA Cc1ccc2c(c1)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 16474310 UJZANIZMWMDRKJ-OAQYLSRUSA-N 427.342 5.685 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@]12C 257347875 XRLBQELEYBVDHJ-QBXCLPINSA-N 444.612 5.265 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1C(F)(F)F 1127612 ALEVSAGTMVIFJA-RBZFPXEDSA-N 447.478 5.302 30 50 IKEA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(C)c3)cc2)cc1 2553425 WKXCBDIJWXAXPZ-YZSQISJMSA-N 447.560 5.324 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 9010456 HGIGHMZGXILPRD-PEBXRYMYSA-N 427.953 5.245 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c3ccccc3)cc1N2 669918 USBCNMJGJPYFFK-VWLOTQADSA-N 439.471 5.412 30 50 IKEA O=C(Oc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1 2543293 GDLFOVNGVZDJAJ-ZMOGYAJESA-N 427.888 5.019 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc12 2775336 HTRMGPQTKYBQEC-DEOSSOPVSA-N 449.616 5.740 30 50 IKEA O=C1CCCC2=C1C(c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)O2 2998968 NAECMYYOGYWGJP-UHFFFAOYSA-N 445.471 5.302 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1OC 9560022 XNQSIZHVUSNFFG-ZFWWWQNUSA-N 446.330 5.015 30 50 IKEA C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccc(N(C)C)c1 14115893 UCTDHQAJUOCCQA-UHFFFAOYSA-N 429.387 5.252 30 50 IKEA O=C1/C(=C/c2cccc(Cl)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(Cl)c1 20115378 MFHOLABOFBYEGK-FWSOMWAYSA-N 434.366 6.545 30 50 IKEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 682681 ICDDYVJYXMNNCS-OAQYLSRUSA-N 444.453 5.401 30 50 IKEA C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1 1467950 NUAXAFFYXXNHLP-UHFFFAOYSA-N 426.520 5.068 30 50 IKEA CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2387465 AXLTWWYQYNQZEO-UHFFFAOYSA-N 426.354 6.792 30 50 IKEA CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 8816645 CELJWOBRRCIZCG-UHFFFAOYSA-N 428.560 5.025 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 9089228 CFJQPANDIBUDTP-HXUWFJFHSA-N 434.289 5.232 30 50 IKEA Cc1cc(C)nc(/N=C(/N=C(\O)C(F)(F)F)Nc2cc(C(F)(F)F)ccc2Cl)n1 9730979 YVAVRBQPYZDPOM-UHFFFAOYSA-N 439.747 5.384 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1 17992519 BFVILGZACDUFHH-CCLHPLFOSA-N 438.527 5.899 30 50 IKEA CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 96179145 LIPNXQLBCIZNOH-PSCYQSDVSA-N 445.544 5.250 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 254397363 FVWJYYTZTCVBKE-XKKTZVRPSA-N 442.728 6.997 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 710572 NOPGTQHGCKXWIJ-DEOSSOPVSA-N 433.523 5.216 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc(O)c(OC)c2)C1=O 6173525 FZLDJJMDDDSASE-STZFKDTASA-N 447.512 5.098 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(CSC)c3)n2)cc1OC 2325740188 ZSPOJXLCWFOEMJ-MRXNPFEDSA-N 442.537 5.319 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 2452347 MGHOXOZVJZEQJO-UHFFFAOYSA-N 449.363 5.177 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 4064679 GTAYUCKXHAMCRM-JHOBJCJYSA-N 446.550 6.828 30 50 IKEA CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC 16677395 QOODNLLNLFMICV-DZNDYGJHSA-N 444.556 6.293 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O 718070 LEWZYXRJQLNBGU-YHAMSUFESA-N 446.934 6.034 30 50 IKEA biogenic,in-vitro Cc1cccc(NC(=S)N(CCCNC2=CC(=O)CC(C)(C)C2)C2CCCCC2)c1 4663377 INWYJKQRHXOQPU-UHFFFAOYSA-N 427.658 5.579 30 50 IKEA Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 15769106 JTKVWSABDAHHAV-VLSFKVKESA-N 440.455 5.086 30 50 IKEA CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 97950796 XZTKKQSXYVCNGS-NRFANRHFSA-N 449.894 7.612 30 50 IKEA COc1ccc(/C=C/C(=O)c2ccc3oc(-c4ccccc4)c(CC(=O)O)c3c2)cc1OC 1848443009 RSPXFZABPGRFMP-DHZHZOJOSA-N 442.467 5.640 30 50 IKEA N#Cc1c(NC(=O)/C=C/c2ccccc2)n(CCc2ccccc2)c2nc3ccccc3nc12 2286521 MMMFSHDBUXDRHK-FOCLMDBBSA-N 443.510 5.351 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 2776593 KCSGEJZYQBOPNT-FQEVSTJZSA-N 434.001 5.240 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)cc(C)c3)cc2)SC1=S 2882553 GXNSJMXKRWJEEN-CJLVFECKSA-N 439.602 5.539 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 4180918 UZCIMOZMIPOQJY-JOCHJYFZSA-N 439.353 5.612 30 50 IKEA CCCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1 11990824 MJVGCASUFYZVOJ-JWGURIENSA-N 443.499 6.057 30 50 IKEA C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O 13941741 KHDQWVJXNZMYPA-XDHOZWIPSA-N 442.334 5.006 30 50 IKEA CCN(CC)c1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19805798 NFRJDAXAKZIQAJ-BYNJWEBRSA-N 426.608 5.274 30 50 IKEA in-vitro Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)c(C)c1 25558067 SESRQIAIENIWCF-JLHYYAGUSA-N 440.948 5.929 30 50 IKEA C[C@@H]1CC(C)(C)N(C)c2ccc([C@H]3C4=C(CCCC4=O)Nc4nc5ccccc5n43)cc21 230144274 FMTLDGNAGVCGTD-CPJLOUKISA-N 426.564 5.780 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CCC[C@@]5(C)CC[C@H]43)C2)cc1 245238998 DJKUHJBPRWSFHW-RYNCOEESSA-N 430.654 6.502 30 50 IKEA CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Br)s1)Nc1ccc3ccccc3c12 986070 FFLJNLXJFDIMCN-JOCHJYFZSA-N 438.390 6.973 30 50 IKEA CCCCCCCCCCCCNC(=O)c1c(O)c2ccccc2n(CCCC)c1=O 8435511 OYGJPAQXNHSDNJ-UHFFFAOYSA-N 428.617 6.158 30 50 IKEA CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4C#N)cc3)c12 21989286 GYTTUVXCCHRIBA-UHFFFAOYSA-N 425.488 5.199 30 50 IKEA in-vitro C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CC[C@H]1C)CCC21SCCS1)C1SCCS1 43762232 CPGWNLKFCZHRGO-JKMAKKBCSA-N 442.781 6.439 30 50 IKEA CCN(C(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1C)C1CCCCC1 629312 YPPFGPNGGFJGFP-UHFFFAOYSA-N 429.973 5.629 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC 709636 YSPATPBMNCXEOI-HFJWLAOPSA-N 427.504 5.078 30 50 IKEA N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 2260158 RPFZJXLUJIFQGY-UHFFFAOYSA-N 448.349 5.256 30 50 IKEA Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2Cc1ccccc1 2519858 OSKQCFVEHDLCSN-UHFFFAOYSA-N 434.357 5.239 30 50 IKEA CCCCCCCC(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl 3147792 SJZMFSKESUOBNN-HNNXBMFYSA-N 445.612 6.001 30 50 IKEA N#Cc1c(-c2ccc(S(=O)(=O)O)cc2)cc(-c2ccccc2)c(O)c1-c1ccccc1 3107071 NKWVZIKBSQTBKU-UHFFFAOYSA-N 427.481 5.512 30 50 IKEA C=CCCC(=O)N(Cc1ccncc1)Cc1ccc(OC)c(OCc2ccccc2F)c1 14994563 KREZQTZQAABUGA-UHFFFAOYSA-N 434.511 5.303 30 50 IKEA C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3O)oc12 33832193 WAAPHYJTKSTXSX-CQSZACIVSA-N 438.476 5.079 30 50 IKEA biogenic,in-vitro O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1c(F)c(F)c(F)c(F)c1F 59596172 NEZAABBDUZRVFR-UHFFFAOYSA-N 438.318 5.644 30 50 IKEA CCCCCCCCOc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc1 253414554 XUBFFGKGEVZLAM-UHFFFAOYSA-N 443.547 6.980 30 50 IKEA biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 630126 YWAXPUVZPSJNGK-MYUZEXMDSA-N 440.499 5.403 30 50 IKEA CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)s1 883349 PZWAYNKZLXUSCB-QUGAMOGWSA-N 430.573 6.299 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 1217702 PIKWZUCRTCRENM-WXTAPIANSA-N 441.487 5.583 30 50 IKEA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(O)=N/C(=N\c2ccc(Cl)cc2Cl)N1 2861678 FJCSJUUHDWLHCA-AWEZNQCLSA-N 446.121 5.245 30 50 IKEA CCCCCCCCOc1c2ccsc2c(OCCCCCCCC)c2ccsc12 100070458 LWSGUMOETOXOHL-UHFFFAOYSA-N 446.722 9.595 30 50 IKEA in-vitro CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(C)cc12 100723212 QCRMFQVHHSJYLW-UHFFFAOYSA-N 440.381 7.100 30 50 IKEA Cc1ccc(S(=O)(=O)NN=C2C[C@@]34CCCCCCCCCC[C@]3(CC(=O)C4)C2)cc1 101053918 HEXSWHUJJPULAI-JWQCQUIFSA-N 444.641 5.673 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl 1079570 WVLPDWFBZYBTDB-KRWDZBQOSA-N 432.322 6.296 30 50 IKEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1 2352775 PXBFEAZUEIFSCE-MFKUBSTISA-N 446.532 5.086 30 50 IKEA C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1 2563947 CMYCCJYVZIMDFU-UHFFFAOYSA-N 448.376 5.876 30 50 IKEA in-vivo C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1)c1ccccc1 2896349 NTESRUUBWJLLNI-UHFFFAOYSA-N 446.553 7.964 30 50 IKEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 9295951 GZDZPZGFBRXNME-STZFKDTASA-N 437.561 5.671 30 50 IKEA CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 14953257 WRGQSWVCFNIUNZ-SQUSKLHYSA-N 436.526 5.037 30 50 IKEA in-vitro,metabolite CCCC[Sn](CCCC)(O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O 170157078 UVDDHYAAWVNATK-VGKOASNMSA-L 431.161 5.048 30 50 IKEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C(=O)/C=C/c4ccccc4)CC[C@H]32)C1 257349964 SWTNFHMWIPZFLE-WAUVPMBKSA-N 448.647 6.860 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 628595 HOEJGLKPFPMWHM-QFIPXVFZSA-N 425.912 5.377 30 50 IKEA O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc(Br)o1 1165312 DJLKLTPGRDBWDI-BOPFTXTBSA-N 427.275 5.591 30 50 IKEA CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O 8214693 LTVDFSLWFKLJDQ-IEOSBIPESA-N 446.716 7.761 30 50 IKEA endogenous,investigational COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(C)c2)cc1 8779934 PCUDZKQAQSCLPO-RUZDIDTESA-N 445.559 5.351 30 50 IKEA Cc1ccc2c(c1)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 16474313 UJZANIZMWMDRKJ-NRFANRHFSA-N 427.342 5.685 30 50 IKEA Fc1c(F)c(F)c(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(F)c1F 23549845 DSKYIAADLLHCJW-IPBVOBEMSA-N 441.363 5.347 30 50 IKEA O=C1/C(=C/c2ccccc2Cl)CN(Cc2ccccc2)C/C1=C\c1ccccc1Cl 25781993 MOWSEIJAODKLRS-HOFJZWJUSA-N 434.366 6.545 30 50 IKEA CCCC[B-]1(CCCC)/C(=N\c2ccccc2)N(C(C)C)C(c2ccccc2)=[N+]1C(C)C 195819280 RPTPRNNHAGDNEY-SJCQXOIGSA-N 431.477 7.393 30 50 IKEA Cc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2C#N)c1 8590641 VWEHKNIDNCDZOI-UHFFFAOYSA-N 435.552 6.327 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F 100557861 MWMIJAWLJKOUTF-CJAUYULYSA-N 449.522 5.149 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1OC 2325716797 UJGVRJRKCFCAHE-GOSISDBHSA-N 436.533 5.449 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Br)cc1 830031 DGVQUIVMQBNTKQ-TZIWHRDSSA-N 434.333 5.491 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 844132 SJNPZJQFLYAIKK-UZUQRXQVSA-N 439.914 5.404 30 50 IKEA COc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 254821162 SSNRMSCFXPROTC-UHFFFAOYSA-N 436.511 6.997 30 50 IKEA C/C(=N\O)[C@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 1857526834 DSFGOUABGWEHRO-LRZQMAONSA-N 449.591 5.772 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 1204584 OFFYFBDLLLMXKK-ZHRRBRCNSA-N 425.887 5.014 30 50 IKEA COc1cc2c(c(OC)c1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 4794661 ZMXMKVXAUOBSMP-HXUWFJFHSA-N 442.353 5.667 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2[C@H]1CC=CCC1 9483177 SBXTZUYFCSRDJV-DCFHFQCYSA-N 447.623 5.299 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 19536141 YTSBKNUBBRGSOM-OAQYLSRUSA-N 433.470 5.549 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccccc1N2 1082741 UXDRVWWJZZMUSG-AVRWGWEMSA-N 445.360 6.429 30 50 IKEA N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)Cc1ccccc1)c1ccccc1 2835342 GOBAGKHUPWIVNQ-MUUNZHRXSA-N 432.523 6.106 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccnc2)cc1 4035918 CQFWKIXFDAHDJB-SKCUWOTOSA-N 449.554 5.701 30 50 IKEA C=CCn1c(CSCc2cccc3ccccc23)nnc1SCC(=O)c1ccccc1 12379151 DMUHLHUTPXWDJA-UHFFFAOYSA-N 445.613 6.026 30 50 IKEA Cc1c(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)noc1-c1ccccc1 1875351695 FTYCVTJNAXTEHW-UHFFFAOYSA-N 441.516 5.044 30 50 IKEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 708825 VEMXZDDCIZHGKV-GJZUVCINSA-N 443.543 5.044 30 50 IKEA biogenic S=C(NN=C1c2ccccc2-c2ccccc21)NC1c2ccccc2Oc2ccccc21 1951319 GGXDCRIDRICOHY-UHFFFAOYSA-N 433.536 5.779 30 50 IKEA Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 16739193 LFPHMBOIEXIZCV-PSCYQSDVSA-N 429.545 5.468 30 50 IKEA CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 257348676 HXUGNDVVHVLCAY-SCZCOUFESA-N 442.684 7.139 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(O)nc(SCc3ccccc3Cl)nc1N2 1129490 ZZLWRRCVJBKGIH-LJQANCHMSA-N 449.963 5.692 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1ccccc1F)c1ccccc1Br 9087544 IJBGIDNOIXWFQN-PKNBQFBNSA-N 443.243 5.843 30 50 IKEA Cc1ccc(C(=O)/C=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 16667374 AXWIXMAJZRTHCP-UKWOOVPBSA-N 442.562 7.247 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F 16731760 TZZSGINJMGTZAB-HSZRJFAPSA-N 433.479 5.629 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O 71789534 RPPYCVULPFKBOG-CSHKLQQTSA-N 440.712 8.285 30 50 IKEA biogenic,in-vitro CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525110 HDTQUHRXMVKWMI-PJQINWJZSA-N 442.728 8.638 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 630726 HEGVWABNIAPBMT-QYBDOPJKSA-N 430.935 6.328 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)OCc1ccccc1 1051413 ZKEBHFAYESJZHP-UHFFFAOYSA-N 434.464 5.536 30 50 IKEA O=C1CCCC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccc(C(=O)c3ccccc3)cc1N2 9861362 ZUEWCCDXEGVPEP-RUZDIDTESA-N 446.909 6.296 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C 19761824 DFPGCFXBBZYONE-KBMIEXCESA-N 431.532 5.008 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl 20322694 LJCYWJFELCCEMQ-NYHFZMIOSA-N 425.887 5.014 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]32)cc1 257350146 VBLKGSKRRMCRKY-NMLNOWKBSA-N 444.637 5.681 30 50 IKEA C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O 1167034 ZFBOJNLGBOGCPG-WOJGMQOQSA-N 448.327 5.251 30 50 IKEA CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 8448971 TZCXOKRQGFGXHD-UHFFFAOYSA-N 435.564 6.565 30 50 IKEA C=C(C)COc1c(Br)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC 22130555 RIIKKJWACOXHRQ-OQLLNIDSSA-N 448.338 5.209 30 50 IKEA CCCCCCCCCCCCCCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)n1C 100815700 SOLBBIIGNGDIEL-UHFFFAOYSA-N 429.605 6.718 30 50 IKEA C/C=C1/C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@@H](O)C[C@@H]12 139235486 SXDZXAFUWCERDJ-OVGJVXSPSA-N 430.629 5.331 30 50 IKEA in-vitro C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 254397361 FVWJYYTZTCVBKE-DSNXNGCTSA-N 442.728 6.997 30 50 IKEA CCCCCCCCCCCCOCC[N+](C/C=C\c1ccccc1)(CCO)CCO 104217819 SWALXVUDHDLRCR-SDXDJHTJSA-N 434.685 5.439 30 50 IKEA Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 252394538 PRKCVHTUMSBLLS-UHFFFAOYSA-N 443.363 5.225 30 50 IKEA CCCCOc1ccc(C=Nc2ccc(N=Cc3ccc(OCCCC)cc3)cc2)cc1 252438238 JGPJVRJLTHAEQE-UHFFFAOYSA-N 428.576 7.546 30 50 IKEA C=CCn1nc(-c2ccc(N3CCCC3)cc2)nc1CCc1nc(C)c(-c2ccccc2)o1 1875348456 RFSVVVANDJDTMD-UHFFFAOYSA-N 439.563 5.480 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1022099 JMIPJZLQDGJHKC-NFQMXDRXSA-N 442.559 5.319 30 50 IKEA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 1175428 GNFWYUKPEKUBAW-NRFANRHFSA-N 444.428 5.451 30 50 IKEA C=CCn1c(SCc2ccc3c(c2)OCO3)nc2sc(-c3ccccc3)cc2c1=O 1895931 XJNUASUYJOAACV-UHFFFAOYSA-N 434.542 5.332 30 50 IKEA C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 2983959 LXSMQPFOPBZPRT-IBGZPJMESA-N 436.621 5.966 30 50 IKEA COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19643804 MABDESRNHXMABY-VWLOTQADSA-N 445.559 5.085 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F 100557858 MWMIJAWLJKOUTF-IQGLISFBSA-N 449.522 5.149 30 50 IKEA C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1Cl 2856294 UDUPFZRIZQJCKC-UHFFFAOYSA-N 441.969 5.125 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)cc1 8995746 XXOXHKPAFDFNLX-MNNSJKJDSA-N 436.555 6.306 30 50 IKEA CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 12652478 RTLVASMBPGAUNB-GYCJOSAFSA-N 431.492 5.366 30 50 IKEA C#CCn1c(=O)c(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc2ccc(OC)cc21 14994567 FNXGAIPLDSYUKP-SANMLTNESA-N 442.946 5.176 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1 18324217 MMJIPLSDWUQPEK-HHHXNRCGSA-N 445.607 6.086 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]12C 254385783 CYPQELKXBYBDOE-LIJQOQRPSA-N 446.628 5.154 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1OC 9560023 XNQSIZHVUSNFFG-UKRRQHHQSA-N 446.330 5.015 30 50 IKEA CCNc1nc(CSc2nc(C(F)F)cc(C3CC3)c2C#N)c(C(=O)OCC)s1 20607463 UJMDBOZSGMZKCL-UHFFFAOYSA-N 438.525 5.126 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 986589 ZTASUGYKTPNPGU-NIYFSFCBSA-N 442.584 6.305 30 50 IKEA C=CCNc1nc(Nc2cccc3ccccc23)nc(OC(C(F)(F)F)C(F)(F)F)n1 2495666 QHWRQNDPIAMTEX-UHFFFAOYSA-N 443.351 5.238 30 50 IKEA biogenic C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)Cc1ccc(F)cc1)C2 12326766 ARSMZRBTDXBWAZ-UHFFFAOYSA-N 449.547 5.228 30 50 IKEA O=C(/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 16156397 FQTBATMWPPXGOH-MAABLUSNSA-N 433.507 5.247 30 50 IKEA COc1cccc(/C=N/Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)c1 16677598 MKKRSXDVXPKKDA-ZVHZXABRSA-N 433.309 5.514 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 253505643 VOETZVYTDQTIBX-KXJXYGFHSA-N 446.588 5.239 30 50 IKEA biogenic COc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 851166 JBBRUGQKFWPECL-UHFFFAOYSA-N 449.479 5.440 30 50 IKEA C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 12343300 XSGACTQCKMZITC-MUFRIFMGSA-N 433.342 6.954 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 16293760 NYOLGTHMWYXCMV-BVZFJXPGSA-N 449.522 5.149 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1 16426537 WXNCEAQGONUWPI-XGCWNURASA-N 444.506 5.822 30 50 IKEA CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3cccc(N(C)C)c3)C[C@@]21C 71766909 MREOZLCREPXSCQ-SVTWOBQPSA-N 429.604 5.407 30 50 IKEA C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 1159435 ACSFGOMFBBTNEE-UHFFFAOYSA-N 436.415 5.218 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1184786 XXKWQIVCAMYFML-SBUREZEXSA-N 439.552 5.448 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1 2207166 FSPOZUNJIDPRPK-UHFFFAOYSA-N 432.574 5.590 30 50 IKEA COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)c1 4075112 CFAAYVLWXFPNFY-MYUZEXMDSA-N 440.499 5.403 30 50 IKEA COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 4178648 KYSUVDCHKJDXNG-ZVHZXABRSA-N 439.309 5.226 30 50 IKEA COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1ccco1 9065711 VWINSIBMLLVGIS-CSKARUKUSA-N 427.250 5.166 30 50 IKEA C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1OC)CC2=O 14711615 YLTPWCZXKJSORQ-VOIUYBSRSA-N 438.520 5.610 30 50 IKEA biogenic,in-vitro CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 18130612 AZLOQVQAYLALKF-FQEVSTJZSA-N 442.346 5.303 30 50 IKEA COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 18323446 MPDSXYRJWFCSBN-WXTAPIANSA-N 428.488 5.209 30 50 IKEA COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 18323436 MPDSXYRJWFCSBN-QYBDOPJKSA-N 428.488 5.209 30 50 IKEA COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1OC 1060679 TWFIOUYTMFCUQM-DEOSSOPVSA-N 425.488 5.334 30 50 IKEA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1 15836533 MRZUPLUCUZMNJK-GDNBJRDFSA-N 447.307 6.337 30 50 IKEA CCCCCCCCNC(=O)C[C@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]1C 64858360 AFBOFJAXQUATPU-AUSIDOKSSA-N 441.015 6.339 30 50 IKEA in-vitro CCCCCCCCCCCCOP(N)(=O)OCCCCCCCCCCCC 73417728 DWSIVZLNCWRJHW-UHFFFAOYSA-N 433.658 8.928 30 50 IKEA CN1[C@H](c2ccccc2)C[C@H](/N=C\c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 245328610 VOXJOUOUCQMCPD-JTLZVMJISA-N 430.595 7.076 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 970924 CSZDKWFUAMZIAD-GKVSMKOHSA-N 434.461 6.685 30 50 IKEA COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4ccc(C#CC(C)(C)O)cc4)C3)ccc2c1 12714408 YUHBXQQFTUPKPJ-SANMLTNESA-N 441.571 5.066 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)cc1 17043881 XXOXHKPAFDFNLX-KPURRNSFSA-N 436.555 6.306 30 50 IKEA C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95719242 NKAMGQZDVMQEJL-UHFFFAOYSA-N 446.100 6.182 30 50 IKEA in-vitro CCc1cc2c(cc1I)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 95938000 IQWNZLQAANHDSH-UHFFFAOYSA-N 440.284 5.077 30 50 IKEA in-vitro CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCO 100655382 HEZHDXIJQPSERX-UHFFFAOYSA-N 446.713 6.307 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 688448 MWLRZUAGMWOGSB-NRFANRHFSA-N 442.346 5.303 30 50 IKEA COC(=O)c1c(CC=C(C)C)c(OC2=CC(=O)c3ccccc3C2=O)c2ccccc2c1O 14688687 UERDSCMBQADHGN-UHFFFAOYSA-N 442.467 5.183 30 50 IKEA biogenic O=C1c2ccccc2/C(=N/N=C/c2ccccc2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 100563244 FNNVCCZQMAKZSJ-DPBVUEIWSA-N 442.518 5.724 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(-c2ccccc2)cc1 252429458 QWNPCODHPVHDLX-UHFFFAOYSA-N 425.344 6.090 30 50 IKEA CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2081056430 NKJYZYWCGKSMSV-ZPNWUMKXSA-N 442.640 6.360 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(N2CCOCC2)cc1 809296 QZRZMKCAVUGUHH-MUUNZHRXSA-N 438.571 5.986 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 709778 KKFOCULDYZFJPV-CLYVBNDRSA-N 434.495 5.773 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(C)cc1 1118949 RNOPMLLZRSFROK-UHFFFAOYSA-N 428.355 5.177 30 50 IKEA C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2[N+](=O)[O-])SC1=S 1160223 FTCOTZGNGPXQNG-WQRHYEAKSA-N 446.937 5.214 30 50 IKEA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 2784240 HRYVBDGISUPMBJ-AREMUKBSSA-N 445.559 5.400 30 50 IKEA C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O 2834132 RFYWNYOHPGQXLR-ZDLGFXPLSA-N 431.966 5.497 30 50 IKEA N#Cc1cc(Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)c([N+](=O)[O-])cc1C#N 9010049 VQXMHJWPTRFCAS-UHFFFAOYSA-N 446.492 5.210 30 50 IKEA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Sc2ccccc21 13609096 WYCSGKOENFHISE-VCHYOVAHSA-N 428.263 5.947 30 50 IKEA C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1OC)CC2=O 14711621 YLTPWCZXKJSORQ-UPCLLVRISA-N 438.520 5.610 30 50 IKEA biogenic COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1OC 815785 NOXGFUIHZRXLNU-UZTOHYMASA-N 440.543 5.992 30 50 IKEA COc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 1430893 YHTBTTRBHANPDE-SFHVURJKSA-N 432.545 5.035 30 50 IKEA Cc1ccc(C)c(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2C#N)c1 2872891 KMLNAZMBLZTHOM-UHFFFAOYSA-N 445.456 5.171 30 50 IKEA C[C@H]1CCc2c(sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)c2C#N)C1 2880199 YKFVCOQAAONHKV-HNNXBMFYSA-N 440.524 5.770 30 50 IKEA CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4047855 AGQNVTZMIXEHKC-KPURRNSFSA-N 437.587 6.512 30 50 IKEA Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)c(Cl)c1 4109503 YRILAAGUUZKFFU-WYMPLXKRSA-N 428.344 6.628 30 50 IKEA Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 9925846 ZIZBUVBXOYLFAM-IFRROFPPSA-N 443.153 6.031 30 50 IKEA C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@@]1(O)C1=CCCC[C@H]1[Si](C)(C)c1ccccc1)C2(C)C 257355464 AUXKMQHVEKOAFZ-YEEPMTPTSA-N 440.700 5.425 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 2762199 SXMZLGGLKKFOMY-ZHRRBRCNSA-N 425.525 5.202 30 50 IKEA COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccccc2OC)cc1OC 11867663 XBVNMIICLWMPFS-ZRDIBKRKSA-N 432.472 5.136 30 50 IKEA biogenic COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)c1 9559868 VBOMNYVAOUBMGG-LRDDRELGSA-N 446.330 5.015 30 50 IKEA COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 806598 PQFJEWKLYNXFGB-VWLOTQADSA-N 431.513 5.579 30 50 IKEA N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(=O)c1ccccc1 2835462 JEFKSJFYIBGQKO-NDEPHWFRSA-N 432.523 6.173 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4060363 NEPCHUHGUTUJFW-UQBPGWFLSA-N 431.532 5.010 30 50 IKEA CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1OC 8448961 FYDAQJBKGXKXRP-UHFFFAOYSA-N 436.552 5.423 30 50 IKEA Cc1cc(C)nc(N/C(=N\C(=O)c2ccccc2)Nc2cc(C(F)(F)F)ccc2Cl)n1 18136959 NCIMNZMGIASSGZ-UHFFFAOYSA-N 447.848 5.486 30 50 IKEA Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1 43197011 GVPAGJWVBUZHNQ-UHFFFAOYSA-N 427.511 5.478 30 50 IKEA in-vitro CCCCCCCCCCCNc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n12 96021484 PYWUVRLJASWXKI-UHFFFAOYSA-N 446.683 8.199 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccccc1Cl)Nc1ccc(C(=O)c3ccccc3)cc1N2 864943 AHGQKEJUFHKILQ-RUZDIDTESA-N 428.919 6.157 30 50 IKEA Cc1cc(-c2ccc(/N=C/c3sccc3C)c(C)c2)ccc1/N=C/c1sccc1C 2895016 JMCJBVOXUVVAEW-DPCVLPDWSA-N 428.626 8.211 30 50 IKEA Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 8781897 ZQWBOKJVVYNKTL-AUEPDCJTSA-N 436.751 6.574 30 50 IKEA in-vitro CC/C(=N\C(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1ccc(C)cc1 17100536 JXILXTONSVRLIQ-GKPLWNPISA-N 436.555 7.037 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 18284763 WWSSKWKAQOULIF-NDEPHWFRSA-N 438.571 7.318 30 50 IKEA Cc1ccc(C=NN=C2/C(=C(\O)C(c3ccccc3)c3ccccc3)C(=O)c3ccccc32)o1 252679493 NIUOLHPWJOKCPA-QYWGPUAJSA-N 446.506 6.252 30 50 IKEA C=C(C)C(=O)N=c1ccc2c3ccc(NC(=O)C(=C)C)cc3c(-c3ccccc3)n(CC)c-2c1 526056787 UMMNMTSCMHDYFL-UHFFFAOYSA-N 449.554 5.951 30 50 IKEA CN1C(=CN=C2C(=O)C=C(N3CCc4ccccc43)c3ccccc32)C(C)(C)c2ccccc21 1857525183 XTARLDHTHIAOSF-UHFFFAOYSA-N 445.566 5.731 30 50 IKEA CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]12C 2080824588 LISUREDJGUCUNG-VANCGWGWSA-N 439.640 5.677 30 50 IKEA C=CCCC(=O)NCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1C 12152668 HNZYPSWVPFNOGG-UHFFFAOYSA-N 426.973 5.104 30 50 IKEA C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1ccccc1F)C2 12191596 YIDFQIOOKBTSOB-UHFFFAOYSA-N 435.520 5.300 30 50 IKEA C/C(=N/N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 12342839 XGEQYKKCOQNCMG-LQNQUEJISA-N 447.369 6.978 30 50 IKEA CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 1857525109 HDTQUHRXMVKWMI-HLBGQBGSSA-N 442.728 8.638 30 50 IKEA C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)c(C)c3)c2c1=O 2831010 CLEZXPHKEFBHHQ-UHFFFAOYSA-N 439.631 5.985 30 50 IKEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)cc32)cc1Cl 4794648 RFAHJINACXWYNE-QFIPXVFZSA-N 427.928 5.566 30 50 IKEA Cc1ccc(N2CCN(c3cc(-c4ccccc4)c(C#N)c4nc5ccccc5n34)CC2)cc1 5354669 RKNVDTUVPHSREC-UHFFFAOYSA-N 443.554 5.661 30 50 IKEA CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1 8974624 RKAPRONBLMDNBI-GDJIYFAZSA-N 440.543 6.073 30 50 IKEA COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c(OC)c1 16677579 YKLRDHIWOAIOCL-JVWAILMASA-N 444.922 5.927 30 50 IKEA Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 20607088 GVLSWSACVYVIHL-HNNXBMFYSA-N 436.606 5.850 30 50 IKEA O=C(/C=C/Nc1nc(-c2ccc(OC(F)F)cc2)cs1)C12CC3CC(CC(C3)C1)C2 20608497 ONFNDVCFTDPORB-AATRIKPKSA-N 430.520 6.123 30 50 IKEA Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C 100971574 ZRCJIXRZXOCBDR-FPEJUQHSSA-N 429.545 5.468 30 50 IKEA COc1ccc(Br)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1 696117 MOWNCQBXBIQIBW-DEOSSOPVSA-N 434.333 6.284 30 50 IKEA C=CCSc1nc2c(c(-c3ccc(Br)cc3)c1C#N)C(=O)CC(C)(C)C2 2372136 SRPZCPMBPGPHQE-UHFFFAOYSA-N 427.367 5.816 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C(C)C)cc1 100857149 CMAJCLLOJREWNO-UHFFFAOYSA-N 430.721 9.193 30 50 IKEA COc1ccc(/C=N/N=C2/SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1 169620428 NFRLCTNVQZPKGY-MHZNWMJFSA-N 449.624 6.033 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]12C 2080824587 LISUREDJGUCUNG-RIEMSKDUSA-N 439.640 5.677 30 50 IKEA C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O 100016429 DJXFYPCZCCPBLC-WAHSHXKDSA-N 426.641 5.481 30 50 IKEA in-vitro Cc1ccsc1-c1cc(Nc2nc(Nc3ccc(CC#N)cc3)nc3ccccc23)n[nH]1 197970519 QGYKWCYQMUSJCI-UHFFFAOYSA-N 437.532 5.943 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccsc1 1429678 WQHQQWGORFXHFO-INIZCTEOSA-N 436.602 5.724 30 50 IKEA Brc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 239173896 OWJQEZCCOFTTTF-UHFFFAOYSA-N 438.394 5.232 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 1175545 IKGZULVYGBZODF-XMMPIXPASA-N 447.554 5.134 30 50 IKEA O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 2828765 TUXAWWFWXXNLRB-MOSHPQCFSA-N 440.952 6.522 30 50 IKEA Fc1ccc(COc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)cc1 4282931 KDGCRHRJPRVANC-JVWAILMASA-N 435.568 5.689 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCc2ccccc2F)cc1 12402406 AZXBZCYPCIUTBU-HHHXNRCGSA-N 442.534 6.627 30 50 IKEA Clc1ccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1 13896295 RAPFYZQGSFHFIZ-BUVRLJJBSA-N 433.387 5.210 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 22216189 WZDGZFPTHVGXIH-NRFANRHFSA-N 433.508 5.042 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc(OC)c3)c2C#N)cc1 8742262 ICSGVPNUUAUASG-UHFFFAOYSA-N 438.552 6.597 30 50 IKEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 9041914 SDWFGQVANVRFCC-SANMLTNESA-N 432.564 5.884 30 50 IKEA O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 9559934 JUEYCOQFLNHMEV-AUSIDOKSSA-N 427.475 5.622 30 50 IKEA C=CCn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1cccnc1 17094688 SOIYWQNRFDUNQU-UHFFFAOYSA-N 425.970 5.595 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19535386 IENQBFXOQIWOAP-HSZRJFAPSA-N 435.951 5.687 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4ccccc4c3C)n2)cc1OC 2325866417 KFRCHHDFLXQXEC-HXUWFJFHSA-N 428.513 5.779 30 50 IKEA COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 666739 TZHQCUTUDAQUHL-LVXARBLLSA-N 445.559 5.256 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1csc(C)c1 17102205 SBWIACPFRAWYIX-UHFFFAOYSA-N 438.500 5.251 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 22135377 CQFWDBFXSUJVMU-IBGZPJMESA-N 425.271 5.171 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@]12C 257350702 ZJFYDPFCQFKJHC-AXNXTQODSA-N 430.677 7.740 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1202578 VAHSKKMELNMDEV-CLOONOSVSA-N 433.523 5.387 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 19631390 QITBWJCJYYXBIR-IBGZPJMESA-N 440.392 5.258 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C 19761822 DFPGCFXBBZYONE-DFBJGRDBSA-N 431.532 5.008 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(F)cc2)cc1 19855372 JZVUAWGNWBCWQD-KBMIEXCESA-N 449.522 5.148 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4ccc(C(=O)OC)cc4)c3c2C1 25559693 KGDVACCFUJRFCB-JAGRMCENSA-N 436.581 5.465 30 50 IKEA N#Cc1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1 170619968 KQBZCRAQTOSHRH-AFUMVMLFSA-N 428.293 5.377 30 50 IKEA CCOc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1 712361 BUOBPTIRIAHSKR-WYMPLXKRSA-N 431.404 5.281 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl 997879 VGODSZIIWZSODU-QFIPXVFZSA-N 429.347 6.156 30 50 IKEA CSc1nnc(N2C(=O)C[C@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)s1 1445850 QSXDDHOJLANZIU-GFCCVEGCSA-N 433.986 5.077 30 50 IKEA C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S 15799920 SPXVCTXEEQGIGY-ODLFYWEKSA-N 439.631 5.293 30 50 IKEA C=CCn1c(CSCc2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 16447699 UBIDCJVDCKYJBM-UHFFFAOYSA-N 443.569 5.020 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1 18206709 RFGAFOURCLUOMA-DCFHFQCYSA-N 442.946 6.261 30 50 IKEA CCC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1 43761317 AVFSWZKWOBOOCL-HAVVHWLPSA-N 434.790 6.842 30 50 IKEA CCCCCCCCC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 100727515 NYIMPZNBVYBROG-MRXNPFEDSA-N 428.809 5.023 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3cccs3)cc2O[C@H]2CCc3ccccc32)C1 11967512 YJIAWGUJYZYZPS-QHCPKHFHSA-N 445.584 6.169 30 50 IKEA Cc1c(Cl)cccc1NN=Cc1ccc(-c2ccc(Br)cc2C(=O)O)o1 252427926 KOBHLGOVELPZLX-UHFFFAOYSA-N 433.689 5.815 30 50 IKEA CCOc1cc(/C=N/Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)ccc1O 19924491 AHQKVZCGGJHCHU-WMMPRDMWSA-N 438.597 5.783 30 50 IKEA FC(F)(F)C(=C(NC(=S)N1CCCCCC1)C(F)(F)C(F)(F)F)C(F)(F)F 59727601 DXYSXADKIIIPNI-UHFFFAOYSA-N 438.306 5.313 30 50 IKEA C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)CC1 71928318 NRLHFCLKMFBIIK-CCLHPLFOSA-N 438.011 6.607 30 50 IKEA CCCCCCCCCC(=O)N[C@H](Nc1ccc(C(=O)O)cc1)C(Cl)(Cl)Cl 97950883 TZWLHSBOEIHZSZ-SFHVURJKSA-N 437.795 5.750 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1112926 GSPLOJSFDINSTI-UHFFFAOYSA-N 433.364 5.477 30 50 IKEA CC1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 4547107 KMSIGDDMAIEECU-ODPUSEOTSA-N 446.182 6.678 30 50 IKEA COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 8914000 FVWWBSVRCAEWET-LYZGTLIUSA-N 438.527 5.616 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1cccs1)c1ccccc1Br 9216925 NUZCXSNXWIIMJK-CMDGGOBGSA-N 431.282 5.765 30 50 IKEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 16447541 JEOYTJHJEPVVGE-MRDQGFSESA-N 428.463 5.534 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 19761164 JESQQNXVXJKARR-BLRRAGTOSA-N 433.523 5.529 30 50 IKEA CCCCCCCCCCCCCCCCCCOc1cc(C(=O)O)cc(C(=O)O)c1 100103299 JAJBICIOMQKJMS-UHFFFAOYSA-N 434.617 7.723 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC 883249 NOHJYOJEXDRYDO-XRHLQHRESA-N 442.515 5.389 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 9010454 HGIGHMZGXILPRD-FPTDNZKUSA-N 427.953 5.245 30 50 IKEA CCCCCCCCCCCCCCCCN(CCNS(C)(=O)=O)c1ccccc1 101015823 VOFBIYJXGJBCGH-UHFFFAOYSA-N 438.722 6.524 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OS(=O)(=O)c3ccc(C)cc3)CC[C@H]12 230120784 ZJUABQDERHSYQM-SDVOOXDOSA-N 440.605 5.634 30 50 IKEA CC(C)[N@+](C)(CC#C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 247693270 XMLJZMMZIZSGTD-NMARXLBESA-N 432.628 6.143 30 50 IKEA biogenic COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 257347751 SUISKBUAOOSHAW-PKVQVSCOSA-N 444.612 5.265 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)o2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 821076 BMNWLYWOLFZPFA-CCLHPLFOSA-N 445.559 5.826 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 1198568 XPTURDIPIQPZTM-QHCPKHFHSA-N 433.508 5.394 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 1202693 LGJDTSPXJNLJLU-AOMKIAJQSA-N 442.342 5.528 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Br)c1)Nc1ccccc1-2 2878641 BEUDILDRAPKPFR-KRWDZBQOSA-N 427.327 5.082 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 8783645 DGLHXLMBPUNVAZ-VSKRKVRLSA-N 449.476 5.722 30 50 IKEA CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 19685816 LBERVHLCXUMDOT-MPZZESAYSA-N 442.684 7.571 30 50 IKEA biogenic,in-man COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl 20322706 LJCYWJFELCCEMQ-QRQCRPRQSA-N 425.887 5.014 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 35982121 QHSIPLRFUZZWRP-CQSIOLINSA-N 431.532 5.096 30 50 IKEA CCCCOc1ccc(C=Nc2ccc(/N=C/c3ccc(OCCCC)cc3)cc2)cc1 1501042466 JGPJVRJLTHAEQE-SDTQJZQNSA-N 428.576 7.546 30 50 IKEA O=C1C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)c2ccccc21 2123448 VWXDWIOGKICPQT-UHFFFAOYSA-N 437.264 5.630 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC1=S 2993894 QBNUNFNIAKLLDV-RGEXLXHISA-N 448.034 5.898 30 50 IKEA CCCCCCCCCCS(=O)(=O)Nc1cc(Br)c2cccnc2c1 3092389 KZDRMASKQSPSBH-UHFFFAOYSA-N 427.408 5.880 30 50 IKEA CCOc1cccc(/C=N/Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)c1O 38187790 JOJIOOVINFSSSJ-WMMPRDMWSA-N 438.597 5.783 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4cccc5ccccc45)c3c2C1 38206507 XGARXZOHWZUNPN-XNGBXZAESA-N 428.605 6.832 30 50 IKEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1 9559993 DQMUKBLCFGBICH-CJNGLKHVSA-N 446.330 5.015 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 27532842 MRRRBEAXPHDOCP-OAQYLSRUSA-N 442.346 5.303 30 50 IKEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1 35363244 WPJKKRRYFBKTIB-UHFFFAOYSA-N 447.966 6.102 30 50 IKEA O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(/C=N/OCc2ccccc2Cl)c1 263639782 INKIQJDMBKSQIL-BRJLIKDPSA-N 441.837 5.578 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1OC 709633 SQPJLGCMLIETMA-WGDIFIGCSA-N 446.572 6.053 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 1213262 TZIRPBWBLGPZKR-OAQYLSRUSA-N 444.915 5.092 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 5110446 RYVDBLNLUOGLOD-NYHFZMIOSA-N 427.887 5.628 30 50 IKEA Brc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 9327382 XOUQSRHXIBPNOD-BUVRLJJBSA-N 430.309 5.414 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 18285630 BXNREIQYHKIHTL-WTYVLRPYSA-N 440.518 6.136 30 50 IKEA C=CC[n+]1c(-c2ccc(Cl)cc2)csc1/N=C1/SCC(=O)N1c1ccc(C)cc1 25560101 NOLUZRYEKYMDJC-UHFFFAOYSA-N 441.001 5.618 30 50 IKEA CCCCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2)cc1 100028662 NPLISAHFBGJFLE-WCWDXBQESA-N 434.732 9.406 30 50 IKEA in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 118913394 VOETZVYTDQTIBX-APYPAYISSA-N 446.588 5.239 30 50 IKEA CCCCCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226811245 ZKMKLCPVASBFKI-VWLOTQADSA-N 437.580 6.509 30 50 IKEA CCOc1ccc(N=C(C)C=C2SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 1857666600 SWONQMMWZNRXGB-AREMUKBSSA-N 430.573 6.118 30 50 IKEA Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 3873295 QRJJEGAJXVEBNE-HKOYGPOVSA-N 429.134 6.118 30 50 IKEA fda O=C(/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 8425324 PPDRQVRXHGAUNP-LFIBNONCSA-N 439.216 6.651 30 50 IKEA C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C 13448389 AIIXYCDTEGICEE-HZVAOYAWSA-N 439.603 5.204 30 50 IKEA in-vitro CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C 204365103 UYBYVPADSQWFRD-UHFFFAOYSA-N 434.348 5.777 30 50 IKEA O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1/C(O)=N/CCCSc1ccccn1 328591584 ZLJLEBJLGLYZCY-KRWDZBQOSA-N 438.380 5.132 30 50 IKEA Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 681726 MWVFFRFOJIOESC-SIBVEZHUSA-N 425.488 5.883 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 1057457 TZXVUJFCIMGZSW-CYXNTTPDSA-N 449.485 5.119 30 50 IKEA Cc1cccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)c1 13476261 JYYFHGHXLBILGC-GOSISDBHSA-N 442.799 5.345 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 18125799 RYVDBLNLUOGLOD-IVZQSRNASA-N 427.887 5.628 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl 20322688 LJCYWJFELCCEMQ-OYHNWAKOSA-N 425.887 5.014 30 50 IKEA CCCCCCCCCCCC[C@@H]1CCCC/C1=N/OC(=O)Nc1ccccc1Cl 100442499 XIVDVFMFBDHNHZ-CNDSNSFTSA-N 435.052 8.746 30 50 IKEA COc1ccc(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)c2C#N)cc1OC 1056597 RVFPCJWZJRQRAJ-UHFFFAOYSA-N 445.500 5.520 30 50 IKEA C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2cccc(F)c2)cc1 12243410 CPUSWMHVHOVEAO-FMIVXFBMSA-N 436.914 5.594 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 82025688 STBNMQCNTARJSS-UHFFFAOYSA-N 443.606 6.702 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 144490406 XIPFMGYXSZQUGV-ZXEGGCGDSA-N 431.661 7.183 30 50 IKEA CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1430113 PBTQKDHOKIUUQU-RDJZCZTQSA-N 429.347 5.187 30 50 IKEA CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 1840596 UCTZFVOFMWJZOB-AWEZNQCLSA-N 427.526 5.330 30 50 IKEA O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])o4)cc3)cc2)o1 2831710 FTUASASANQQDGN-RNIAWFEPSA-N 430.376 5.857 30 50 IKEA C=CCOc1c(Br)cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OC 2850217 TWWAENLCNDYZKC-SXGWCWSVSA-N 448.700 5.020 30 50 IKEA N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1NC(=O)c1ccco1 3170729 PLNAJDHXAVOTBU-UHFFFAOYSA-N 435.527 7.044 30 50 IKEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 4078803 LBSCKXDYZKHMGB-QLXKLKPCSA-N 444.918 6.048 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118913496 LJQHVTRFOZQNII-MOLOORIASA-N 444.537 6.592 30 50 IKEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccccc2Cl)CC(=O)O3)C1=O 263584866 BRBHDKFDQXTHIG-WCEBZYJUSA-N 432.859 5.406 30 50 IKEA biogenic CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@]34O[C@@H]4C[C@H]2C1 257350341 WKPPTKDUKHFXEE-YQIUZUFSSA-N 428.701 7.276 30 50 IKEA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](/C=N/c1ccccc1/N=C/[C@@H]1[C@@H]3CC[C@@](C)([C@@H]1O)C3(C)C)[C@@H]2O 828611174 PUXWGFKLGBSUCF-BQHKIUGGSA-N 436.640 5.958 30 50 IKEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 708824 VEMXZDDCIZHGKV-ATIYNZHBSA-N 443.543 5.044 30 50 IKEA biogenic CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 1082100 KCENSAJUJSBWMW-WZONZLPQSA-N 436.939 5.048 30 50 IKEA C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)c2C#N)C1 1115334 PXOBTKJKMKNXGA-LBPRGKRZSA-N 441.350 6.019 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1cccc2ccccc12 4282330 RSNDSNLEJLNTGV-YZSQISJMSA-N 431.561 5.190 30 50 IKEA O=C(Oc1ccc(Cl)cc1C(=O)/C=C/c1cccs1)c1ccccc1Br 11867660 ZNEXTHWTEFPJDX-CMDGGOBGSA-N 447.737 6.279 30 50 IKEA N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 1071667 RWKGLAAFPMCMRK-UHFFFAOYSA-N 435.439 5.032 30 50 IKEA aggregator COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl 1201879 NICAULMNTWUNIH-IVZQSRNASA-N 442.342 5.528 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 8742400 QWEUJZVWVIGFFA-SFHVURJKSA-N 445.327 5.228 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]12C 257347876 XRLBQELEYBVDHJ-WXIYRBSGSA-N 444.612 5.265 30 50 IKEA Clc1ccc(/C=N\Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 4577703 XBYSJHGVQIWNPZ-JJFYIABZSA-N 427.689 5.752 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 100127305 CTKAJFWUYWTFMS-OSPHWJPCSA-N 449.572 5.301 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\Nc5cccc(Cl)c5Cl)CC[C@]43C)[C@H]1CCC2=O 253499196 HESAJDXBMHQLJH-SIRXFEOPSA-N 445.434 7.293 30 50 IKEA biogenic O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 9087961 QEEOHGYJWWLBED-OAQYLSRUSA-N 448.862 5.027 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O 13568558 SWQKAUBNQMTHIB-QLXKLKPCSA-N 430.479 5.519 30 50 IKEA C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCc1ccc(F)cc1Cl 13848430 NSRDELAILZUCKR-UHFFFAOYSA-N 438.355 6.090 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2 672596 JKOMNYJZWAZQKC-AVRWGWEMSA-N 445.360 6.429 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC 709950 HILUGRDIMXMNKP-CPJLOUKISA-N 432.545 5.745 30 50 IKEA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c1 998156 ZIUIEXMWJMNWCL-UHFFFAOYSA-N 434.561 6.355 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 9046068 WEWIQWUUBJGZRD-AREMUKBSSA-N 446.547 5.749 30 50 IKEA C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C/c1ccccc1 12446502 IVDILTODMYQTPC-OUKQBFOZSA-N 431.561 5.379 30 50 IKEA CCCCCCCCNC(=O)C[C@@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]1C 64858357 AFBOFJAXQUATPU-XXBNENTESA-N 441.015 6.339 30 50 IKEA in-vitro N#Cc1ccccc1-c1ccc(C(Br)(Br)Br)cc1 140458303 ZMOBZMJHPMWMLQ-UHFFFAOYSA-N 429.937 5.520 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 257346690 KNJVWAVLNHNHKV-ZIYCWJKGSA-N 430.654 6.502 30 50 IKEA N=C(O)c1cc(N=C(O)c2ccccc2OCc2ccc(F)cc2)c(Cl)cc1Cl 328589858 FKHOAJGVMJIRPD-UHFFFAOYSA-N 433.266 6.231 30 50 IKEA CN(C)[C@@H](CNc1oc(/C=C/c2ccc(F)cc2)nc1C#N)c1ccc(C(F)(F)F)cc1 1775976091 OHXQIKDZGDDIQR-DVZTZUIZSA-N 444.432 5.589 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 1132872 QHBICNYMJNTCBC-RNODOKPDSA-N 432.303 5.121 30 50 IKEA CCCCCCCCC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 100727513 NYIMPZNBVYBROG-INIZCTEOSA-N 428.809 5.023 30 50 IKEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 2297106 UKHMSCAXIQKJQL-MFKUBSTISA-N 446.532 5.086 30 50 IKEA CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 4065124 HFWYMXXBUFGSLR-WINIVTDRSA-N 444.962 6.718 30 50 IKEA CCCSC1=N/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 15016474 VMKBERNHVBCTQG-PDGQHHTCSA-N 448.009 6.431 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19643584 GSKDVKZRDSPPOD-AFMDSPMNSA-N 445.534 5.673 30 50 IKEA CC1=C[C@H](C(C(=O)/C=C/c2ccc(O)cc2)C(=O)/C=C/c2ccc(O)cc2)[C@@H](C(C)C)CC1 299817868 XPEWDUSWUQJRDO-WUDRIEKWSA-N 444.571 6.207 30 50 IKEA biogenic C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 669679182 FELCJAPFJOPHSD-ABHPCVNUSA-N 440.712 7.204 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc3ccccc23)C2=C(CCCC2=O)N1 1220245 YLQHGMDPTJHSMS-HHHXNRCGSA-N 437.539 5.594 30 50 IKEA CCn1c2ccccc2c2cc(/C=N/n3c(-c4ccc(OC)cc4)n[nH]c3=S)ccc21 9015788 GCMYYOBRGCTFPT-MFKUBSTISA-N 427.533 5.626 30 50 IKEA CCCCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 97950524 PXFVKROMEQHXED-UHFFFAOYSA-N 449.020 5.120 30 50 IKEA CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)OC1(C)C 196012224 CQMUDHYVDPNPLZ-UHFFFAOYSA-N 444.383 6.349 30 50 IKEA CCCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772491951 NKJYZYWCGKSMSV-PXAIHJKBSA-N 442.640 6.360 30 50 IKEA C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1OCC 15010792 CECUMLHDOIRQEK-WQRHYEAKSA-N 446.981 5.100 30 50 IKEA CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 101124584 HYOUVEWJVPDQFE-ZAQQZEBGSA-N 449.638 5.736 30 50 IKEA COc1c2c(cc3c1[C@H](CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 252678331 DXIVGIUXGUGYMH-NRFANRHFSA-N 428.573 5.502 30 50 IKEA biogenic O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 9445160 PJKJCKCWVXOKPG-RMKNXTFCSA-N 432.657 6.167 30 50 IKEA C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(\C)c1ccc(F)cc1 19800820 QEDZPCJTDQBXSY-INEPJFIPSA-N 449.473 5.297 30 50 IKEA C=C[C@@]1(C)C[C@H](S(=O)(=O)c2ccccc2)O[C@@H]([C@@]2(C)C3=C(CCC3=O)CC[C@H]2C)C1 71786332 CQXWQXWSQQSTQB-PQSSVSIVSA-N 428.594 5.253 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 709467 HBJPZHCWYVMFSK-PUAOIOHZSA-N 445.906 6.228 30 50 IKEA CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 808705 RYGONUJZKYOZNN-WTYVLRPYSA-N 440.543 6.073 30 50 IKEA CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 4065171 DYIZXSBIONMLTR-QYBDOPJKSA-N 447.003 7.041 30 50 IKEA C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 9240502 SLTINVFCIDBTMO-JOCHJYFZSA-N 446.890 5.083 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 16034266 DGLHXLMBPUNVAZ-BDTNDASRSA-N 449.476 5.722 30 50 IKEA C=C[C@@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 43762862 QRKKLUUKPHEPNI-MNAJGRROSA-N 436.658 5.855 30 50 IKEA C=CCN1C(=O)[C@@H](Cc2ccc(SC(F)F)cc2)S/C1=N/c1ccc(C(=O)O)cc1 61960888 HBKZEXDNNIEMKH-LWYOUWALSA-N 448.516 5.060 30 50 IKEA CCCCCCCC[C@@H](CCCCCC)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 1848351618 XXJQRXNTPDYOCY-JOCHJYFZSA-N 434.539 7.927 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1O 718068 LEWZYXRJQLNBGU-AKJBCIBTSA-N 446.934 6.034 30 50 IKEA biogenic,in-vitro COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 1202689 LGJDTSPXJNLJLU-KSFYIVLOSA-N 442.342 5.528 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 9065408 WYCYFJNWELPIOU-LJQANCHMSA-N 425.271 5.171 30 50 IKEA O=C1SC(SCc2ccccc2)=N/C1=C\c1cc2c(cc1Br)OCO2 15016492 NFIXVZHXHDRPSR-NSIKDUERSA-N 434.336 5.082 30 50 IKEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O 263586474 UTXXZOLHNGBYPU-DEYGKZMTSA-N 449.462 5.301 30 50 IKEA biogenic C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 1857524982 LJQHVTRFOZQNII-GODBVAIMSA-N 444.537 6.592 30 50 IKEA N#Cc1c(NC(=O)c2ccc(F)cc2)n(CCc2ccccc2)c2nc3ccccc3nc12 1875257503 XLHIEMVOKDAUTQ-UHFFFAOYSA-N 435.462 5.090 30 50 IKEA COc1cc2c(c(OC)c1OC)[C@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 4794453 UBSHQMLVNOBBER-HXUWFJFHSA-N 439.577 5.635 30 50 IKEA C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3 19851281 UOSFFHVYQFGKGG-UHFFFAOYSA-N 445.613 5.284 30 50 IKEA COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 238924242 RHUYASIFBKPRFF-UHFFFAOYSA-N 449.982 5.079 30 50 IKEA COc1ccccc1-c1nc(C#N)c(NCc2ccc(Oc3ccc(C(C)C)cc3)cc2)o1 2050025143 VYMFPSLDHVKJGW-UHFFFAOYSA-N 439.515 6.750 30 50 IKEA O=C(O/N=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 2944111 CXBWLHKPLCOBLI-PNHLSOANSA-N 439.427 5.392 30 50 IKEA Cc1ccc(-c2nc(C#N)c(NCc3ccc(Oc4cccc(Cl)c4C)cc3)o2)cc1 2050025206 ZQUPKYVTDRJJNO-UHFFFAOYSA-N 429.907 6.888 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 1185853 FCBSXAHZDYQGAO-HXUWFJFHSA-N 442.346 5.303 30 50 IKEA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C#CC(C)(C)O)c1 12300244 VAMHZHTWAFUJNL-NDEPHWFRSA-N 448.566 5.387 30 50 IKEA Fc1ccc(-c2sc(N/N=C/c3ccc(Br)cc3)nc2C(F)(F)F)cc1 16133879 BXMCVDBUHXYXBA-NUGSKGIGSA-N 444.251 6.177 30 50 IKEA CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCCCCCCCCC2 17101636 KFJOJQZVIATMTP-UHFFFAOYSA-N 437.605 6.134 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 17163298 VUJKUSLQOGJVTJ-VWLOTQADSA-N 447.535 5.784 30 50 IKEA COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 631016 VFLLVJXBOMJHSF-VWLOTQADSA-N 434.536 5.459 30 50 IKEA CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 1459246 AWCFAQPUAJPTMI-PPHZAIPVSA-N 427.523 5.871 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 3978649 FVWJYYTZTCVBKE-VUFVRDRTSA-N 442.728 6.997 30 50 IKEA biogenic,in-vitro CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 6378677 SIRXDYNIRYLIBD-ZHZULCJRSA-N 446.484 5.292 30 50 IKEA O=C(/C=C/c1ccccc1Cl)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 25558046 FGWISKKKODKKDN-VGOFMYFVSA-N 433.312 5.657 30 50 IKEA Cc1ccccc1/N=C1\c2ccccc2C2=NC(=O)N[C@@](c3ccccc3)(C(F)(F)F)N21 136846776 QGYNENHHFQBMHD-KHLYQPHASA-N 434.421 5.274 30 50 IKEA CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccc(OC)cc1 223245027 SWMOBNPBOILOTF-WRKLRJIISA-N 449.488 5.487 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 253499240 UILXPFRZQGQVFT-QFLIGWEISA-N 442.546 6.174 30 50 IKEA biogenic C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 1772820509 XTQQLVJPORCMAK-YVGWDWHPSA-N 430.585 5.206 30 50 IKEA COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 1132761 SGNDXWYWMWVYTA-CYBMUJFWSA-N 447.398 5.794 30 50 IKEA Cc1ccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1 2067288 YNZGDDLQVZDYAZ-SFHVURJKSA-N 442.799 5.345 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 20606203 QMGBBSXTZDGPAP-FQEVSTJZSA-N 430.331 5.823 30 50 IKEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1 390834983 ZWJGCLYWSNNVLL-JTTBSPGMSA-N 438.571 5.911 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1 856553 LZWMCIHUFKFIJD-UZTOHYMASA-N 442.584 6.397 30 50 IKEA O=C1C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C(=O)c2ccccc21 1161321 XUVJPNHBJGODLS-UHFFFAOYSA-N 437.264 5.630 30 50 IKEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2c3ccccc3cc3ccccc23)cc1 2590478 BIQMPKOUVFGZMK-OGLMXYFKSA-N 436.584 7.094 30 50 IKEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccccc2Cl)CC1 20057782 ZTIULDVWBODZKW-UHFFFAOYSA-N 443.982 5.206 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]32)cc1 257350147 VBLKGSKRRMCRKY-STSOKTRESA-N 444.637 5.681 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 709962 HJCKFKPMUDVFJX-AVRWGWEMSA-N 434.461 6.685 30 50 IKEA Cc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cc(Cl)cc(Cl)c3O)n2)cc1 8927092 FKNAOFMSSQOWLQ-MZJWZYIUSA-N 449.341 6.577 30 50 IKEA O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 9560065 LWURXLAWGAYRRJ-GCJKJVERSA-N 443.930 6.137 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc5ccccc5c4)c3c2C1 25559705 CKEDGCDUCJJIIR-ONWZCDOSSA-N 442.632 7.222 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1 630715 LYLCHAAMYDNCQX-MMTVBGGISA-N 439.559 5.741 30 50 IKEA CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 8996290 GFZGGNOCYASFLQ-QFIPXVFZSA-N 448.906 5.305 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(=O)OC)cc1 18254425 OKIUYZMDIWMXOC-XMMPIXPASA-N 432.520 5.026 30 50 IKEA CN1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 25761639 AXNTZYSTRSDTCJ-QHKWOANTSA-N 427.158 6.282 30 50 IKEA Cc1c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C 823851 NUARTGASMSAXFJ-ZVHZXABRSA-N 436.309 5.258 30 50 IKEA N#Cc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(C#N)c(C#N)c2)cc1C#N 1233134 HWLBSWFURYESCV-UHFFFAOYSA-N 438.446 6.425 30 50 IKEA CC(=O)n1cc(C(/N=N/c2ccc(Cl)cc2)=N\Nc2ccccc2)c2cc(F)ccc21 107680338 BLXKWNIHQZENBW-ASGCLEHZSA-N 433.874 6.652 30 50 IKEA C=CCn1nc(-c2ccc(N3CCc4ccccc43)cc2)nc1[C@H]1C[C@]1(C)Br 1875348955 IGZSFHMYXACAOK-XXBNENTESA-N 435.369 5.466 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 2762200 SXMZLGGLKKFOMY-OPAMFIHVSA-N 425.525 5.202 30 50 IKEA C=CCOc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)cc1OC 2834222 FLHPFACYVWRMEQ-BOPFTXTBSA-N 431.966 5.817 30 50 IKEA S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccccc1Br 19879340 ZRHLTZBCSOPSEA-GIJQJNRQSA-N 438.148 5.015 30 50 IKEA COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 716883 OQSCTCYGPBIPDU-RUZDIDTESA-N 429.516 5.872 30 50 IKEA Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 994451 YXYXZFJSIGFFCZ-RUZDIDTESA-N 426.516 6.045 30 50 IKEA CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1 2003883 KIRGLCXNEVICOG-SOFGYWHQSA-N 449.685 7.483 30 50 IKEA investigational CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 2894308 MZFAGHRXVPACTI-FQEVSTJZSA-N 432.358 5.150 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccs1 8426541 MNLOQRCRYSFXEA-XMMPIXPASA-N 428.557 6.201 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc2ccccc12 100857246 PNMUAOMURCMEGO-UHFFFAOYSA-N 438.700 9.223 30 50 IKEA CC1(C)OC(c2ccccc2)=C/C(=C/C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)O1 252679391 LRYWPGGNVAJLHF-LPQVLLHSSA-N 443.930 6.981 30 50 IKEA CC(/C=C1\SC=C(c2ccccc2)N1c1ccccc1)=Nc1ccc(Br)cc1 820390538 BHEYWZCXCCAHMO-YMOBXDQSSA-N 447.401 7.635 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 1202687 LGJDTSPXJNLJLU-ZHRRBRCNSA-N 442.342 5.528 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 1213129 IPOXFBRCQVZDRD-OAQYLSRUSA-N 444.915 5.092 30 50 IKEA CSc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 19770763 TXKMGHFTPVRGSX-DEOSSOPVSA-N 433.573 5.162 30 50 IKEA O=C(Nc1ccc(Cl)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 59727724 OKSJHBZCBRVCAE-UHFFFAOYSA-N 435.620 5.177 30 50 IKEA C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 229875626 GAKVNINHIOJQFK-KAJLVOKLSA-N 442.477 6.410 30 50 IKEA CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C 238997477 AITJTURKCCCOIZ-VIZSFHNOSA-N 441.402 7.134 30 50 IKEA C=CCn1nc(-c2ccc(N3CCc4ccccc43)cc2)nc1[C@@H]1C[C@@]1(C)Br 1875348954 IGZSFHMYXACAOK-WMZHIEFXSA-N 435.369 5.466 30 50 IKEA C=CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1 12438895 QTDMWNSQXGCHID-UHFFFAOYSA-N 448.998 5.549 30 50 IKEA CCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl 20602297 LBUHSGWMJTYWMN-UHFFFAOYSA-N 437.996 6.328 30 50 IKEA CCCCCCCCCCCCCCc1cc(Br)cc(Br)c1 953013589 DEEYQDRVVZEMDY-UHFFFAOYSA-N 432.284 8.455 30 50 IKEA CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl 2825162 YYCMIARIGDHWHY-MFKUBSTISA-N 434.952 5.782 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 9329779 AJODGYLCVPQYID-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA C=CCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1 12075228 TZLZEBCRINFRNE-UHFFFAOYSA-N 428.580 5.204 30 50 IKEA C=C[C@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 43762860 QRKKLUUKPHEPNI-PGAFUCCMSA-N 436.658 5.855 30 50 IKEA CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1 59069601 XJEPUDKDCKLTSL-UHFFFAOYSA-N 429.777 10.335 30 50 IKEA N#Cc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5nc[nH]c45)cc3)cc2)cc1 73293204 FEDMEJWMCJAMHE-UHFFFAOYSA-N 430.471 5.808 30 50 IKEA in-vitro CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 100286323 VJTNNIVXOMIESC-UHFFFAOYSA-N 443.587 8.358 30 50 IKEA CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118913454 GGQIDQJAIYDGEX-FKRGKKQFSA-N 427.585 5.436 30 50 IKEA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2ccccc2)cc1 2542852 PMZREBIGXYJPPZ-WPWMEQJKSA-N 439.540 5.688 30 50 IKEA O=C(Cc1ccccc1)ON[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 3137403 NGEHLXNHZGFHNT-OAHLLOKOSA-N 443.541 5.359 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2F)cc1 883135 LBODXLCIFUOJRU-AKJBCIBTSA-N 432.470 5.953 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 18213356 MWLRZUAGMWOGSB-OAQYLSRUSA-N 442.346 5.303 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 138166337 QHSIPLRFUZZWRP-BLRRAGTOSA-N 431.532 5.096 30 50 IKEA COc1ccc2nc(N3CCCCC3)c(/C=C/C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1 170600521 KPDDNXPKKAJZOT-VMPITWQZSA-N 430.592 6.032 30 50 IKEA COc1cccc(-c2noc([C@H](C)NC(=O)Nc3cccc(C#Cc4ccccc4)c3)n2)c1 1875280305 QZKRVPSRKQNIHS-SFHVURJKSA-N 438.487 5.028 30 50 IKEA CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 720755 ZHVJSRZXIJMSLS-QHCPKHFHSA-N 440.971 6.283 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3cccc(C)c3C)c2)SC1=S 2878669 KDWORSPIJYPUDP-CJLVFECKSA-N 439.602 5.539 30 50 IKEA O=C(COc1c(F)c(F)c(C(F)(F)F)c(F)c1F)Nc1ccc(Cl)c(Cl)c1 2972138 GOLSBDVZWNQVNI-UHFFFAOYSA-N 436.110 5.586 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S 12343731 FPKPCJGNHOORCE-HMMYKYKNSA-N 445.993 5.575 30 50 IKEA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccccc1C(F)(F)F 18122002 WIIHABIHGUOPRE-OVVQPSECSA-N 443.454 5.328 30 50 IKEA CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 32790550 IPOLTUVFXFHAHI-MDRMPYQZSA-O 426.662 6.117 30 50 IKEA endogenous,in-man C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 245227748 UILXPFRZQGQVFT-UXVROXRQSA-N 442.546 6.174 30 50 IKEA biogenic O=[S@](c1ccc(N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc1)C(F)(F)F 1776003321 JERIMQVZKCFJCS-DEXQXJORSA-N 425.369 5.408 30 50 IKEA Cc1cc(Oc2ccc(CNc3oc(-c4ccccc4C)nc3C#N)cc2)ccc1Cl 1857800892 ZWNUISCPJOPFIW-UHFFFAOYSA-N 429.907 6.888 30 50 IKEA N#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2060620 BLNQBDIUJVBYSK-UHFFFAOYSA-N 427.573 5.137 30 50 IKEA biogenic C=CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 2063383 BWUFOBOFNRYJEX-MUUNZHRXSA-N 439.555 6.723 30 50 IKEA O=C(Oc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 8922961 NGXFDLQYGCTPAN-CSKARUKUSA-N 425.799 5.503 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])o2)cc1 9089759 VRGBYQUSAQYZMH-IZHWHUGBSA-N 431.448 5.176 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254385419 LBERVHLCXUMDOT-FXPAMAQESA-N 442.684 7.571 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1coc3ccc(Cl)cc3c1=O)C1=C(CC(C)(C)CC1=O)N2 4047472 SAMOLXWGCCRQHP-DEOSSOPVSA-N 448.950 6.285 30 50 IKEA C=CCN1C(=O)[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 9066589 XBTHNDWNMHJLBQ-OZXSUGGESA-N 441.918 5.269 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC 9559910 HRGKDTWDANVPNH-GJZGRUSLSA-N 446.330 5.015 30 50 IKEA Cc1c(O)ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)c1O 16677620 UQMRCWXEQOSUKE-WYMPLXKRSA-N 449.308 5.225 30 50 IKEA C=CCn1c(CNc2ccc(C)cc2)nnc1SCc1cccc(Br)c1 673506 VZXDETNBDZLQKG-UHFFFAOYSA-N 429.387 5.439 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(N2CCOCC2)cc1 809297 QZRZMKCAVUGUHH-NDEPHWFRSA-N 438.571 5.986 30 50 IKEA C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(OC)cc3)c2c1=O 1100420 HXXXOGGOOKOBDH-UHFFFAOYSA-N 441.603 5.377 30 50 IKEA O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 22015545 LQGJJVDKSAGEQV-PLRJNAJWSA-N 430.342 5.386 30 50 IKEA CC[C@@](O)(C/N=C(/O)c1c(C)cccc1Br)c1ccc(Br)cc1 328596515 YWHMYGPYLTXMDN-GOSISDBHSA-N 441.163 5.122 30 50 IKEA CC(=O)N1CC2=Nc3cccc4c3c(cn4CCC(C)C)[C@H](c3ccc(C#N)cc3)C2=C1O 888090049 YCYPCNLSILPSMN-DEOSSOPVSA-N 438.531 5.409 30 50 IKEA C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 2321461 MFGXXLODTSNCCC-UHFFFAOYSA-N 435.336 5.796 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 2796112 ZMINNEZOMLJMAP-QFIPXVFZSA-N 427.972 5.820 30 50 IKEA Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1 2843195 PJWKOZHHVWWANG-LLVKDONJSA-N 433.371 5.141 30 50 IKEA COc1ccc(Br)cc1[C@H]1C2=C(CCCC2=O)Nc2ccc3ncccc3c21 16425622 HWWCDOGJKRIFQE-JOCHJYFZSA-N 435.321 5.570 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccccc2C)SC1=S 22257308 MCKZHQGPVZYURA-LTGZKZEYSA-N 425.575 5.230 30 50 IKEA C=CCn1c(CNC(=O)c2cccs2)nnc1SCc1ccc(Cl)cc1Cl 8682777 XNFVFHWAYAFTOI-UHFFFAOYSA-N 439.393 5.055 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 720526 GFHWUBIEAVZQDB-MQNRADLISA-N 432.545 5.745 30 50 IKEA COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1ccc(Cl)cc1 2791451 NIRFWJXOEQCKEC-AUEPDCJTSA-N 438.887 5.061 30 50 IKEA CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC(C)=O 16393246 SUMCZHBAUZFVPT-RUZDIDTESA-N 427.500 5.728 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(=O)OC)cc1 18254423 OKIUYZMDIWMXOC-DEOSSOPVSA-N 432.520 5.026 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 27546937 LMOMWKOSFYAEJB-QFIPXVFZSA-N 438.930 5.722 30 50 IKEA O=[N+]([O-])c1ccccc1N1CCC(/C(O)=N/[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 328591745 DNLFLPZEPUJELO-SIKLNZKXSA-N 445.466 5.046 30 50 IKEA COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 1132760 SGNDXWYWMWVYTA-ZDUSSCGKSA-N 447.398 5.794 30 50 IKEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 6173527 LVCGAFLGEIVVCB-CYVLTUHYSA-N 449.553 5.974 30 50 IKEA CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1857525134 RSYAEGYTIQGKTB-GRLCGORFSA-N 428.701 8.248 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1022100 JMIPJZLQDGJHKC-HRFSGMKKSA-N 442.559 5.319 30 50 IKEA COc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)cc1Br 2756757 CAUNZQPNEDHVSW-UAPAKVGBSA-N 433.305 6.682 30 50 IKEA Oc1ccc(Br)cc1/C=N/c1nc(-c2ccc(Br)cc2)cs1 25559349 ZTHWQBQYPKAUHJ-UFWORHAWSA-N 438.144 5.791 30 50 IKEA COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 252694478 LHZZMHLXKOFUGQ-DLJCHUHSSA-N 448.559 5.477 30 50 IKEA biogenic CCOc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc(Cl)c1OC(C)=O 2821771 BJMVLERFDMGDIL-YVLHZVERSA-N 447.965 5.568 30 50 IKEA CCc1c(C)sc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1C#N 9130398 FHPOTEJYQQSYNE-ZBFHGGJFSA-N 449.458 5.193 30 50 IKEA C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 25783844 KFOSRSKYBBSDSK-WGPBWIAQSA-N 439.562 8.329 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 253499152 UOCUEIOMIAYZNI-KYBQMFBKSA-N 428.613 5.468 30 50 IKEA biogenic Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 253499465 HNTMKSKJRZRWKS-BOSZYFBSSA-N 444.637 5.681 30 50 IKEA biogenic CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(O)c(Cl)c1 712231 FYJSFPDSGMFWAZ-UHFFFAOYSA-N 435.347 6.099 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1c(F)c(F)c(F)c(F)c1F 2906048 GMGCRMXJWPGWAV-DEOSSOPVSA-N 443.415 6.845 30 50 IKEA CCN(CC)c1ccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 6016383 KEQKMPLSTQWNAD-JFLMPSFJSA-N 437.374 7.134 30 50 IKEA O=C1C[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 9560029 ZUWADTXKBCRFAB-CJNGLKHVSA-N 430.729 5.107 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 257350203 VOPZSPZAIPUPAF-FIFXULJBSA-N 444.637 5.681 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1183826 DWULHNLCQUHIJD-NYHFZMIOSA-N 427.591 5.370 30 50 IKEA CCOC(=O)c1c(NC2=CC(=O)C[C@H](c3ccc(OC)cc3)C2)sc2c1CCCC2 1444536 PEKCAGZINQHBCG-MRXNPFEDSA-N 425.550 5.255 30 50 IKEA C=CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 2063384 BWUFOBOFNRYJEX-NDEPHWFRSA-N 439.555 6.723 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2ccccc2n1 816368 SWTSURAYEJKJNG-UHFFFAOYSA-N 429.549 5.027 30 50 IKEA O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 1170838 BVOIPXPHYXLSCY-YHAMSUFESA-N 444.918 6.048 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 2762197 SXMZLGGLKKFOMY-AOMKIAJQSA-N 425.525 5.202 30 50 IKEA CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 2577101 OMTFFGPMJCAISY-UHFFFAOYSA-N 440.381 7.100 30 50 IKEA COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccccc1Cc1ccccc1 2790217 VUNSUTQEHBHTDM-CVKSISIWSA-N 430.533 5.001 30 50 IKEA O=C1C[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 9560031 ZUWADTXKBCRFAB-CZUORRHYSA-N 430.729 5.107 30 50 IKEA CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 16426546 BINPVEMYXWENRX-DNOBIOAJSA-N 444.962 6.718 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 19631386 QITBWJCJYYXBIR-LJQANCHMSA-N 440.392 5.258 30 50 IKEA CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3cccc(N(C)C)c3)C[C@@]21C 257357204 MREOZLCREPXSCQ-OOQVWVMQSA-N 429.604 5.407 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1F 994273 IDEJIUWRQXBXJY-FQEVSTJZSA-N 432.417 5.531 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 1009966 CPLNGBNICXUHSF-NRFANRHFSA-N 449.963 5.556 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1202716 BRXDEBWFHMZQRS-RXFWQSSRSA-N 445.534 5.673 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl 2578281 BREZPRYZWDMUSI-ZMOGYAJESA-N 444.343 5.533 30 50 IKEA C=CCNC(=O)c1c2n(c(C)cc1=O)-c1ccc(Cl)cc1S[C@H](c1ccsc1)C2 14960097 LEZMOENFLGJTPU-IBGZPJMESA-N 442.993 5.166 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 118913393 VOETZVYTDQTIBX-LLZDANKZSA-N 446.588 5.239 30 50 IKEA COc1ccc([C@H](CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)N2CCCCC2)cc1 1775975778 LCCACSIATSEXFO-YYSDWVBWSA-N 446.526 5.503 30 50 IKEA COc1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)cc1Br 9087200 SEMTVWWKQIUVRI-SRZZPIQSSA-N 447.358 5.048 30 50 IKEA O=C1C[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 9560030 ZUWADTXKBCRFAB-BBRMVZONSA-N 430.729 5.107 30 50 IKEA CCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)OCC)S(=O)(=O)O 101016542 CPDMSWQWHGXJBW-QHCPKHFHSA-N 448.710 7.238 30 50 IKEA C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1 1079741 LETQRGJZQHUQTM-UHFFFAOYSA-N 426.545 5.676 30 50 IKEA CCCCCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N 5318697 LAABJFUNHVYQRQ-UHFFFAOYSA-N 433.899 5.229 30 50 IKEA CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 8415275 RLAAGAQFHFKTRS-OAQYLSRUSA-N 444.428 5.451 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 253617488 PMBSWZWCNKVWLV-ZKUCRLQPSA-N 442.684 7.139 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Oc2ccccc2)c1 2280401 WDDKZGKEVYQYHL-ZMOGYAJESA-N 441.343 6.215 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Br)c1 2327041 VTNNTZKPGDKDRD-UFWORHAWSA-N 428.142 5.185 30 50 IKEA COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F 2792430 YDOQOOZSHDYPDV-CYBMUJFWSA-N 434.508 5.633 30 50 IKEA FC(F)(F)c1ccccc1/C=N/n1c(-c2ccccc2Br)n[nH]c1=S 19861037 XMMPXRIMBQRBKY-ZVBGSRNCSA-N 427.249 5.271 30 50 IKEA CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(Cl)c(Cl)c1 100969868 CEVSTDBFBGOHNP-UHFFFAOYSA-N 444.556 9.082 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 1079490 DJQIISWFCCPVQJ-INIZCTEOSA-N 426.419 5.037 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1 4064908 MXFDBTUHCCBVNF-MYUZEXMDSA-N 426.516 5.683 30 50 IKEA C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1ccccc1OC)C2 14961481 DENXVCHZLJLVTC-UHFFFAOYSA-N 447.556 5.169 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 18143422 UXXFGVKPOTVQKM-PPHZAIPVSA-N 426.516 5.683 30 50 IKEA N#Cc1nc(-c2cccc3ccccc23)oc1NCc1ccc(Oc2ccc(F)cc2)cc1 1775974965 AJIUGNNRIQRDGY-UHFFFAOYSA-N 435.458 6.910 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(\C)c3ccccc3O)n2)cc1OC 12379000 BQHMMXJJTNXQJD-STBIYBPSSA-N 440.503 5.370 30 50 IKEA Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1 12600888 LJWULEZOSMQOMP-NTEUORMPSA-N 446.319 7.008 30 50 IKEA C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 252429493 VGQLRFOGNGBQPU-UHFFFAOYSA-N 429.567 6.075 30 50 IKEA COc1ccc(C=CC(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1 2049286395 PWZIBQSESXXLPX-UHFFFAOYSA-N 433.554 6.199 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)CC(C)C)cc3)n2)cc1OC 2325866551 PFFOKJZRWJGSOM-HXUWFJFHSA-N 449.576 5.410 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 626976 YGGFGMYIPDTDLB-DEOSSOPVSA-N 431.532 5.043 30 50 IKEA C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 2077028 BXFDDFILJYVWMO-UHFFFAOYSA-N 449.591 5.575 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 4199804 WDXYBELJSVHFQV-YEJXKQKISA-N 442.393 5.336 30 50 IKEA C/C(=N/OC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(C(C)(C)C)cc1 17100534 FNMKGNDPGBXBIT-GTWSWNCMSA-N 436.555 7.089 30 50 IKEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 252429407 LGYHSGZFCNGXQQ-UHFFFAOYSA-N 442.588 5.993 30 50 IKEA Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 681724 MWVFFRFOJIOESC-BCHFMIIMSA-N 425.488 5.883 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 709501 KMNOZBRXYDIKND-CJAUYULYSA-N 434.461 6.685 30 50 IKEA CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)SC1=S 1835886 IHCGQYKIADLTFE-VXPUYCOJSA-N 430.639 5.765 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 2073018 NEUHYIQTLUDKOE-ZHRRBRCNSA-N 441.980 5.716 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(C)cc3C)c2)SC1=S 2874241 ZUKZFCNTYNMSAM-CJLVFECKSA-N 439.602 5.539 30 50 IKEA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4ccc(C#CC(C)(C)O)cc4)C3)ccc2c1 12714404 YUHBXQQFTUPKPJ-AREMUKBSSA-N 441.571 5.066 30 50 IKEA C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)c(Cl)c1 35653446 WUSLPFZLFSUQPD-NUGSKGIGSA-N 431.175 7.260 30 50 IKEA C=C[C@@]1(C)C[C@H](S(=O)(=O)c2ccccc2)O[C@@H]([C@]2(C)C3=C(CCC3=O)CC[C@@H]2C)C1 71786331 CQXWQXWSQQSTQB-HLEJILCDSA-N 428.594 5.253 30 50 IKEA CCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCC 100924675 FFWOOWBZYXDIJQ-UHFFFAOYSA-N 438.741 7.451 30 50 IKEA C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238759777 XTQQLVJPORCMAK-XXIBTBJQSA-N 430.585 5.206 30 50 IKEA biogenic COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O 263586592 WAORZBROFWIQDM-NBZOHKLQSA-N 434.394 5.031 30 50 IKEA biogenic CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl 997878 VGODSZIIWZSODU-JOCHJYFZSA-N 429.347 6.156 30 50 IKEA C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O 1142835 WSXDEYBECJSIPL-WQRHYEAKSA-N 448.313 5.390 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 18180661 RPVNPNHAAGEORV-DEOSSOPVSA-N 429.476 6.077 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1 19635436 GJXNZLWSOVVDNT-QRQCRPRQSA-N 442.342 5.528 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2F)cc1 100345966 JUPPCYMDCKUKNV-JOPVOSQUSA-N 429.447 5.017 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C 257347874 XRLBQELEYBVDHJ-ADFPIKBVSA-N 444.612 5.265 30 50 IKEA CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 808702 RYGONUJZKYOZNN-PIIWDFAUSA-N 440.543 6.073 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1F)C1=C(CC(C)(C)CC1=O)N2 4082200 WGXUZVDOIBYSGG-QFIPXVFZSA-N 443.360 6.427 30 50 IKEA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C 4095521 QYIMSPSDBYKPPY-RSKUXYSASA-N 426.729 9.816 30 50 IKEA in-man,metabolite COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 9271945 KMLLDMKCWPJFHI-VZUCSPMQSA-N 447.443 5.036 30 50 IKEA Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1cccc2ccccc12 12836404 YFEFOIKEFANGLG-SFHVURJKSA-N 429.589 5.369 30 50 IKEA CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC(C)=O 16393243 SUMCZHBAUZFVPT-VWLOTQADSA-N 427.500 5.728 30 50 IKEA N#Cc1c(N)nc2c(c1-c1ccc(COc3cccc(Br)c3)o1)CCCCC2 19841013 KALQLCNTLIUXHL-UHFFFAOYSA-N 438.325 5.406 30 50 IKEA COc1ccc(Br)cc1/C=N\Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 32123387 MQMNHMAGFTUQMA-ZRJGMHBZSA-N 445.132 5.479 30 50 IKEA O=C1c2ccccc2/C(=N/N=C/c2cccs2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 100490958 HVGXDJIYCGJBDN-LWDYBMGMSA-N 448.547 5.785 30 50 IKEA FC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 169795113 BJHXOADCFUOTIA-UHFFFAOYSA-N 438.052 5.923 30 50 IKEA C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C 252694461 KXDYHZVEOJTNPL-VUEAYEHGSA-N 441.656 6.539 30 50 IKEA biogenic CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Br)cc1 830033 DGVQUIVMQBNTKQ-PZJWPPBQSA-N 434.333 5.491 30 50 IKEA CCCNC(=O)c1ccsc1/N=C/c1cc(Br)ccc1OCCC(C)C 17101239 KZVWVXWCPKWMCT-YDZHTSKRSA-N 437.403 5.826 30 50 IKEA COc1ccc([C@@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(NCc3ccccc3)C2)cc1 100960862 JLGIREMWIKPHSD-NRFANRHFSA-N 442.584 5.625 30 50 IKEA Cc1ccc([C@H](CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)N2CCC(C)CC2)o1 1775975959 MVCVAPRYAGCFNA-FLVSMNSFSA-N 434.515 5.642 30 50 IKEA C/C(=N\O)[C@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C 1857526835 DSFGOUABGWEHRO-QKKBPPMNSA-N 449.591 5.772 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2)cc1 1201657 PWYJPRWOFILLSA-HSZRJFAPSA-N 437.923 5.060 30 50 IKEA CCCCCCCCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 79671006 WBGGBZAFPVBTON-UHFFFAOYSA-N 434.577 6.504 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 253498557 LJQHVTRFOZQNII-ZODQXYEFSA-N 444.537 6.592 30 50 IKEA CN(CCN(C)N=Cc1c(Cl)cccc1Cl)N=Cc1c(Cl)cccc1Cl 254866147 AIQURGZGERKJGO-UHFFFAOYSA-N 432.182 5.532 30 50 IKEA O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 9560066 LWURXLAWGAYRRJ-XMSQKQJNSA-N 443.930 6.137 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccnc1 18121949 VRJMRNQSILBZHL-HHHXNRCGSA-N 437.543 5.467 30 50 IKEA biogenic CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 101124582 HYOUVEWJVPDQFE-ZWUNQBBJSA-N 449.638 5.736 30 50 IKEA Cc1ccc([C@H](O)c2ccccn2)cc1N=C(O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 328591508 NOJSUQRFZNVUIH-MWTRTKDXSA-N 428.454 6.272 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2Cl)o1 629422 LNGUJIJRGOTNDZ-HSZRJFAPSA-N 439.939 5.767 30 50 IKEA COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1 714347 WJBYJRAVQUVWIX-UHFFFAOYSA-N 435.574 5.300 30 50 IKEA COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 861344 FAGKBBGHAXKAHP-QLXKLKPCSA-N 430.935 6.328 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3F)C2)[C@H]1c1ccccc1 17044116 MMIBLOSSVCAZDX-XHCCPWGMSA-N 426.491 5.746 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 681731 SGENHWCBNUIGCF-JMQGSBJISA-N 435.527 6.156 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1ccc(OC(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 4081153 WWIXZOWECVWWJU-QFIPXVFZSA-N 430.470 6.424 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19855328 PUMHXNHZVUZKGS-CJFMBICVSA-N 433.523 5.387 30 50 IKEA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 27547078 XUQUTXAGLBYFDG-QFIPXVFZSA-N 438.930 5.722 30 50 IKEA Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 1084147 IASDRNVNEONLOG-RUZDIDTESA-N 425.532 5.482 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O 14953262 WRGQSWVCFNIUNZ-QJRAZLAKSA-N 436.526 5.037 30 50 IKEA in-vitro COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 19848357 BDXYIDKTYMVVNB-JOCHJYFZSA-N 437.496 5.148 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)COC(=O)c1ccccc1 1772491981 RSZHYTMCURJIHZ-YTCZVGIXSA-N 434.576 5.561 30 50 IKEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 2066168 BGXNTKHLBHZYLC-HXUWFJFHSA-N 436.379 5.941 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 2757848 RWXTWGDPYNQHNG-BWKNWUBXSA-N 447.600 5.345 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8809725 KZPWBARPQOSHNM-SMIHKQSGSA-N 437.524 5.041 30 50 IKEA CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 226369502 XLLVCEWUWMRFCJ-VDFLHAPBSA-N 443.635 6.570 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781244 CTKAJFWUYWTFMS-XDHUDOTRSA-N 449.572 5.301 30 50 IKEA CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)sc2c1 2755310 JRIYDMKRUOBKEW-UHFFFAOYSA-N 429.592 5.238 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2 2978115 HEQHHRVJMDBPHM-NRFANRHFSA-N 448.935 6.233 30 50 IKEA C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)C1CCCCC1 8385017 QHSJPLDQJYSMPY-QAYGKXGKSA-N 440.491 5.418 30 50 IKEA CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(C#N)c1C 16393213 FEKBIOLQGRQXGS-MRXNPFEDSA-N 434.517 5.178 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 18285619 BXNREIQYHKIHTL-NGOKVRLYSA-N 440.518 6.136 30 50 IKEA CCOc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1 25760865 LQPKZQRNFWFWJT-MFKUBSTISA-N 446.016 5.448 30 50 IKEA O=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1cc2ccccc2o1 223245513 UPHUAUZHLMYOKP-WYMPLXKRSA-N 435.823 5.703 30 50 IKEA Brc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 239235518 WCKHDOFNDAMKOH-UHFFFAOYSA-N 432.365 5.171 30 50 IKEA COc1ccc(C=C2S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C 2042456331 BAQGGTWHWFIMHJ-XQKRWPLFSA-N 428.557 5.676 30 50 IKEA C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1Cl 2742692 FOJWDYCGLLYXFJ-UHFFFAOYSA-N 448.379 5.114 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 27532839 DRPXVZFRVWTWGG-NRFANRHFSA-N 442.346 5.303 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348494 GCRIWPLHBVKSPY-VLSSOZHTSA-N 444.612 5.265 30 50 IKEA CCCc1cc(N2CCN(c3ccccc3Cl)CC2)n2c(nc3ccccc32)c1C#N 1472974 FWPALGKVACPFQR-UHFFFAOYSA-N 429.955 5.292 30 50 IKEA C=CCN1C(=O)/C(=C/c2cccc(OCCOc3cc(C)cc(C)c3)c2)SC1=S 15800607 WKRDWXRLUCRAGL-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA CCCCCCCCOc1ccc(Nc2ccc(OCCCCCCCC)cc2)cc1 59961900 RASXNPUMFYUAPC-UHFFFAOYSA-N 425.657 8.909 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccccc1-c1nc2ccccc2[nH]1 100733943 KHGPUYBBCJIIRW-UHFFFAOYSA-N 434.668 9.090 30 50 IKEA CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 137573636 XQNJLWJVISBYSS-GSLIJJQTSA-N 443.713 5.637 30 50 IKEA in-vitro C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 755584 ASKWCVANZBJACO-KNQAVFIVSA-N 443.410 6.037 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1202719 BRXDEBWFHMZQRS-FNZWTVRRSA-N 445.534 5.673 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 9363625 SVVJYRCQROMLLJ-FQEVSTJZSA-N 434.289 5.232 30 50 IKEA C1=C(Cc2ccccc2)[C@H](c2ccccc2)SC(c2ccccc2)=C1/C=N/c1ccccc1 12376235 YNKQRWKIVXESQW-WDTGHZBBSA-N 443.615 8.457 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 681875 UNQYSMUMZWEZGU-HFJWLAOPSA-N 441.487 5.583 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(F)c2)cc1 812869 QSTWRMPTFOQGTR-QUGAMOGWSA-N 432.470 5.953 30 50 IKEA Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 6767005 IZRCEWYPEFIOHA-UHFFFAOYSA-N 438.698 5.282 30 50 IKEA C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCC 15010561 HNYRWWBMOFRGPB-UYRXBGFRSA-N 429.925 5.540 30 50 IKEA C=C(C)COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1OC 253413298 UKNJDJJFBFCGIA-FQEVSTJZSA-N 444.483 5.028 30 50 IKEA biogenic COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 861343 FAGKBBGHAXKAHP-WGDIFIGCSA-N 430.935 6.328 30 50 IKEA O=C(Oc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 2543763 BYIUXRHCOXWJGU-ZMOGYAJESA-N 444.343 5.533 30 50 IKEA N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2875722 PSCYOAHISXOAEK-UHFFFAOYSA-N 449.535 6.214 30 50 IKEA CC(=O)c1cccc(NC2=C(Cl)C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1 2896517 HTPNPHJDDXMDKA-UHFFFAOYSA-N 435.521 6.719 30 50 IKEA COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)c1 4075114 CFAAYVLWXFPNFY-XRHLQHRESA-N 440.499 5.403 30 50 IKEA Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1C 11617257 CSDZDOUGIQDPIS-BUHFOSPRSA-N 425.553 6.902 30 50 IKEA O/C(=N\C(NCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F)c1ccccc1 20518331 TUMYISPZWGMTNZ-UHFFFAOYSA-N 434.424 5.618 30 50 IKEA Clc1ccccc1C=Nc1ccc(Oc2ccc(N=Cc3ccccc3Cl)cc2)cc1 254741000 ALDSXUXLVATGJO-UHFFFAOYSA-N 445.349 8.287 30 50 IKEA CCCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 3629011 QAGHSTAHQODNSJ-OAHLLOKOSA-N 445.585 5.343 30 50 IKEA Cc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 9185633 JREWQHTZTNRSCL-UINIZAEWSA-N 427.573 6.178 30 50 IKEA CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 12410736 ZBZQSFQNKPWGHL-AREMUKBSSA-N 437.543 6.387 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(Cl)c1 100857243 NAXNSTNFOZWHIE-UHFFFAOYSA-N 437.112 9.031 30 50 IKEA COc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118925458 RZZSYQOCHYTRMK-AESYMOFSSA-N 448.603 6.152 30 50 IKEA C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1 2453564 OAUAVBCLGOXHET-UHFFFAOYSA-N 434.609 5.776 30 50 IKEA CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(NC(C)=O)cc1 4675199 MPWYXKNAIKSTTP-UHFFFAOYSA-N 425.536 6.102 30 50 IKEA COc1ccc(Br)cc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 9861053 IOJWAUVDOMDKPJ-QHCPKHFHSA-N 435.321 5.679 30 50 IKEA C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2 17098719 HHPYCBDJNVOXNL-CYBMUJFWSA-N 434.005 6.402 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 19535510 DKOWFPXWOGZNDE-OAQYLSRUSA-N 442.342 5.705 30 50 IKEA C=C1/C(=C\C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O 100016425 DJXFYPCZCCPBLC-QLFKTCFXSA-N 426.641 5.481 30 50 IKEA in-vitro N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 239287332 CPTZNPORQSWBKT-LVNJIZSUSA-N 428.598 5.525 30 50 IKEA C[C@@H](C1CC1)n1nccc1N=C(O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 328596700 QKPPTHHBOPUPFY-ZDUSSCGKSA-N 426.423 5.151 30 50 IKEA CCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1C 2050024814 AMRSPCJXIJPMSY-UHFFFAOYSA-N 427.508 5.417 30 50 IKEA C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccccc3Cl)c2c1=O 1132917 PMSIRPNCVGSBLE-UHFFFAOYSA-N 443.981 5.862 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl 1201886 NICAULMNTWUNIH-OYHNWAKOSA-N 442.342 5.528 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cc2ccccc2cc1O 3000667 GXWFMQXOYWATOG-UHFFFAOYSA-N 435.936 5.618 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(Br)cc1 8431161 ZXOVSPPEKNYKJJ-ZHQJDRHOSA-N 439.353 5.274 30 50 IKEA Cc1ccc2c(c1)c1c3n2CCN(C/C(=N/O)c2ccc(Br)cc2)[C@@H]3CCC1 19595372 DVMIVQQSTIZTJJ-IVYNLYIOSA-N 438.369 5.284 30 50 IKEA CC(O)=Nc1cc(/C(O)=N/C[C@@H](CN(C)C)c2ccc(Cl)cc2)cc(C(F)(F)F)c1 328591961 IHUFIBKXWGUFSN-INIZCTEOSA-N 441.881 5.617 30 50 IKEA N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCCCCCC(=O)O 1775965295 ZPRITCUYZRSVMX-UHFFFAOYSA-N 429.860 5.096 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 2757847 RWXTWGDPYNQHNG-SQJMNOBHSA-N 447.600 5.345 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 8914675 IMYBGGKDASVCGA-HXUWFJFHSA-N 447.560 5.235 30 50 IKEA O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 13575678 JSBIVTUUISRGHS-CPFLNSBHSA-N 445.456 5.132 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 18285627 BXNREIQYHKIHTL-MMTVBGGISA-N 440.518 6.136 30 50 IKEA CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 252628827 SYSLHZGKUNLUIS-UCLUCITFSA-N 442.968 5.522 30 50 IKEA CCOc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 1185599 FXWKVXXIUHSQOH-HHHXNRCGSA-N 438.527 5.902 30 50 IKEA COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC3CCCCC3)n2)cc1 9422131 VKEBYXGHTLBJSN-UHFFFAOYSA-N 449.498 5.189 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1O 13568533 LXXCBZMSVOQMKD-SGANQWHYSA-N 446.934 6.034 30 50 IKEA O=S(=O)(O)CCCN1/C(=C/C=Nc2ccccc2)Oc2ccc(-c3ccccc3)cc21 334157152 JNVLGWGAWCKESX-UARZBZHOSA-N 434.517 5.074 30 50 IKEA CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OCC)c1OCC 655521 ICSJIABNFIJZDY-CQSZACIVSA-N 428.554 5.193 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccco2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 2844406 YVXMMMIGPJJACV-QYBDOPJKSA-N 449.522 5.656 30 50 IKEA CCCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3147782 RXEVFQIQBAFKFA-OAHLLOKOSA-N 444.628 6.034 30 50 IKEA Brc1ccc(-c2csc(NN=C3c4ccccc4-c4ccccc43)n2)cc1 8427650 XKUJOISENHCBBW-UHFFFAOYSA-N 432.346 6.418 30 50 IKEA Fc1c(F)c(F)c(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1F 13548633 SBGTZHOCELNPCL-XKJRVUDJSA-N 440.375 5.952 30 50 IKEA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)[C@@H](C(=O)O)C1 17099069 BDGUZVIBYQBJJB-HOJAQTOUSA-N 434.561 5.278 30 50 IKEA C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C 253487483 KXDYHZVEOJTNPL-ARUYSXKESA-N 441.656 6.539 30 50 IKEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 2066167 BGXNTKHLBHZYLC-FQEVSTJZSA-N 436.379 5.941 30 50 IKEA CCOC(=O)c1c(/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 3663555 SHDDNQZAXJKIKO-BRJLIKDPSA-N 448.371 7.121 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1 9010457 HGIGHMZGXILPRD-JLCFBVMHSA-N 427.953 5.245 30 50 IKEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12594574 GZHOPMJZHKLMJB-IFMALSPDSA-N 438.612 5.216 30 50 IKEA CC/C(C[C@@H](c1ccccc1)c1c(O)c2ccccc2sc1=O)=N\Nc1ccccc1 16102015 HJAICFUYAHCUIH-YXMXGMKXSA-N 428.557 6.367 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 16034268 DGLHXLMBPUNVAZ-FKBYEOEOSA-N 449.476 5.722 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 19646929 JSUGGEPXMUWXJH-ZUOKHONESA-N 448.371 5.590 30 50 IKEA COc1ccc([C@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(NCc3ccccc3)C2)cc1 100960859 JLGIREMWIKPHSD-OAQYLSRUSA-N 442.584 5.625 30 50 IKEA C=CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC 2850099 WARDWQJBJWWNRL-YBEGLDIGSA-N 448.700 5.020 30 50 IKEA CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 8798214 WKFPXJIIGDJQJX-MFKUBSTISA-N 439.968 5.638 30 50 IKEA CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 9472363 NAAMDRMAMWKSHD-HSZRJFAPSA-N 449.478 5.294 30 50 IKEA CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 2190005 YICPRIVRYRCVKF-VWLOTQADSA-N 447.962 6.907 30 50 IKEA O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)Sc2ccccc21 13563282 ZSBCAFVMOKKWIF-KSEXSDGBSA-N 436.363 7.326 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O 16577980 CBNPQCAWVGCRDG-FQEVSTJZSA-N 443.341 5.385 30 50 IKEA CCCCCCCCCCCCCCSCCCCCCCCCCCCCC 100015153 OCTONCPZMJYQLP-UHFFFAOYSA-N 426.839 11.122 30 50 IKEA in-vitro Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Br 243901434 BBKJJLUHLPKHEC-UHFFFAOYSA-N 428.142 5.185 30 50 IKEA CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1429783 XMIISBOWIQSXLS-CRAIPNDOSA-N 429.347 5.187 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc(Br)ccc1O 2008222 PJXIQRBEKIUKFA-XMMPIXPASA-N 448.360 6.617 30 50 IKEA N#C[C@@]1(c2cc(Br)ccc2OCc2ccccc2)CCC(=O)N1c1ccccc1 2871368 KZYOIJKSCMSKOW-XMMPIXPASA-N 447.332 5.574 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F 9472411 CGNMNWIRDOOKSD-QHCPKHFHSA-N 447.506 5.803 30 50 IKEA O=C(ON=C1CCCCC1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 17100784 PKKQTMCDLSVNMW-UHFFFAOYSA-N 436.821 5.545 30 50 IKEA COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 18323439 MPDSXYRJWFCSBN-HFJWLAOPSA-N 428.488 5.209 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19638550 MDKPGMFAWUMHKT-IBVKSMDESA-N 443.543 5.240 30 50 IKEA N#Cc1cccc(Oc2ccnc(NCc3nc(-c4cc5ccccc5o4)cs3)n2)c1 1875353431 SDHDMRGIKOBEPM-UHFFFAOYSA-N 425.473 5.622 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 822769 URHCQHNCKYUNEI-YADARESESA-N 435.951 5.653 30 50 IKEA CC(=O)C1=C(C)N[C@H](c2ccc(Cl)cc2Cl)N[C@H]1c1ccc(Cl)cc1Cl 19202049 ILQVPHGLJPFAMX-OALUTQOASA-N 430.162 6.096 30 50 IKEA O=C1C(c2ccccc2)=C(c2ccccc2)N/C1=C/C(=O)c1ccc(Br)cc1 100055081 OAWZWXUFVBUOMH-HMMYKYKNSA-N 430.301 5.257 30 50 IKEA COc1ccc(Br)cc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 885412 IOJWAUVDOMDKPJ-HSZRJFAPSA-N 435.321 5.679 30 50 IKEA CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC 100072717 HCQHIEGYGGJLJU-UHFFFAOYSA-N 426.682 7.915 30 50 IKEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1c3cc(C(F)(F)F)ccc3N[C@H](c3ccc(C#N)cc3)[C@@H]21 1848443988 YOSXNYRXMMTPFT-SNWCSMSDSA-N 426.438 5.415 30 50 IKEA COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)c1 1434745 CAMUSSBJXLSYGW-DWXRJYCRSA-N 441.487 5.583 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 2776594 KCSGEJZYQBOPNT-HXUWFJFHSA-N 434.001 5.240 30 50 IKEA Cc1ccc(CNC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCCCCC3)cc1 6431525 ZSQYVRROPXHWLK-UHFFFAOYSA-N 447.526 5.348 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 35817506 JESQQNXVXJKARR-ZCPGDWHISA-N 433.523 5.529 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@H](O)C[C@H]5O)[C@H]12 1772820097 SWEUJTWPRYKNNX-KVOAGRBPSA-N 442.728 6.996 30 50 IKEA C[C@@H](CNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N)N1CCCC1 1857799923 NVFCMYRFSTYARS-KRWDZBQOSA-N 436.943 5.342 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)cc1)OCO3 816101 ZFPBFTKDRPSHOB-HXUWFJFHSA-N 426.310 5.378 30 50 IKEA N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1nccs1 851169 KFVWMQOKINLLDX-UHFFFAOYSA-N 428.542 5.475 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc(F)c3)c2C#N)cc1 8809688 RSMBRVQTODUDDZ-UHFFFAOYSA-N 426.516 6.727 30 50 IKEA COc1ccc(/C=C/C(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1 15837610 RWUPILNHIMBLKK-LICLKQGHSA-N 433.463 5.545 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccc(F)c1 18105951 SCWZXRJKQSEGEU-SANMLTNESA-N 440.518 6.283 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 257347670 PMBSWZWCNKVWLV-JQZBIDAGSA-N 442.684 7.139 30 50 IKEA CC(C)[C@H](OC(=O)[C@H](/N=C(/O)c1ccccc1)c1ccccc1)C(O)=Nc1ccccc1 328592472 SOXFWCHWFGPACR-PKTZIBPZSA-N 430.504 5.589 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)o2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 821077 BMNWLYWOLFZPFA-DCFHFQCYSA-N 445.559 5.826 30 50 IKEA O=C1/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)S/C(=N\c2ccccc2)N1c1ccccc1 8742100 VSXMJSFBNLNLBA-HSRFISPZSA-N 442.456 5.375 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1 9560046 VMJSNTZIJYYPPK-RDPSFJRHSA-N 439.511 5.492 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1)c1ccccc1 9993316 BUVYCAUITHXWQB-FQEVSTJZSA-N 430.460 5.218 30 50 IKEA CC(C)c1ccc(/C=C/C(=O)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 25558042 HRXWNCLWJRTBKL-FZSIALSZSA-N 440.948 6.127 30 50 IKEA CC(=O)O[C@@H]1C=C2C(=O)C[C@H]3[C@@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]34)[C@@]2(C)CC1 257348654 HTZDJVPKUOXQMG-CBUWRSOLSA-N 442.684 7.139 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 19535936 WEUPWBNKPHPDRU-OAQYLSRUSA-N 444.369 5.293 30 50 IKEA CCc1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1[Si](C(C)C)(C(C)C)C(C)C 169794196 BDLOUBMSPOBOQV-UHFFFAOYSA-N 428.502 5.922 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 1132869 QHBICNYMJNTCBC-ZUOKHONESA-N 432.303 5.121 30 50 IKEA C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@](C)(CC)OC3 2996558 ANTFPOHXGSGTQX-QHCPKHFHSA-N 426.607 5.665 30 50 IKEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)cc32)cc1Cl 4794646 RFAHJINACXWYNE-JOCHJYFZSA-N 427.928 5.566 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3/C(=N\[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257350185 VIIVBTDLDAKMPX-VJBXXBMZSA-N 430.677 7.740 30 50 IKEA Cc1cc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c(C)c1 715943 NAZZSVLHQJMKFS-UHFFFAOYSA-N 431.561 5.748 30 50 IKEA CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 1459245 AWCFAQPUAJPTMI-XHCCPWGMSA-N 427.523 5.871 30 50 IKEA Clc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3Cl)cc2)cc1 2839579 GQKVLCYBPQSKBZ-YAGSLNJISA-N 429.350 8.162 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1 4064911 MXFDBTUHCCBVNF-DNOBIOAJSA-N 426.516 5.683 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19634626 USDMBBGSNOGXPP-AJTFRIOCSA-N 441.571 5.924 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1 217800369 REPYETNVMPJALL-UTKDAVAPSA-N 440.495 5.876 30 50 IKEA biogenic COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 9264217 QRQLZJVNQOGLIB-DEOSSOPVSA-N 429.476 5.501 30 50 IKEA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 27547766 AKJOCDSTXIQCNT-DEOSSOPVSA-N 447.554 5.134 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 64858533 FKWHKBXVLNKTGT-UHFFFAOYSA-N 442.688 7.794 30 50 IKEA in-vitro CCCCCCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] 98050391 VLPLVCXHXPMIQR-UHFFFAOYSA-N 434.621 7.966 30 50 IKEA C=C(C)Cn1c(SCC(=O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 641508 CGUIJMJGEITCDX-UHFFFAOYSA-N 428.554 5.027 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc(N(C)C)cc2)C1=O 6378659 WRNXQTKBLFBTSF-JWGURIENSA-N 444.556 5.449 30 50 IKEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1 12710377 NURXVXDTTCQEIK-YLJYHZDGSA-N 432.520 5.171 30 50 IKEA CCN(CC)c1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 32691027 HQSFSHZSEUUCGE-CEUNXORHSA-N 439.538 6.242 30 50 IKEA C=CCOc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc([N+](=O)[O-])cc4[C@H]3C2)cc1 229929154 KHMPSGMVRIWTHT-NOZRDPDXSA-N 427.460 5.402 30 50 IKEA COc1ccccc1-c1nc(C#N)c(NCc2ccc(Oc3cccc(Cl)c3C)cc2)o1 2050024885 GIAOAZBDMUPBFM-UHFFFAOYSA-N 445.906 6.588 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 674139 MDSSCXDGYAOCPG-NSYGIPOTSA-N 443.459 5.108 30 50 IKEA C=C(C)Cn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 985912 BDJRADCDPIEVTP-OAHLLOKOSA-N 426.607 5.460 30 50 IKEA C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 2164800 ZLOQDEMQFPTAIE-YVLHZVERSA-N 434.300 5.255 30 50 IKEA C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 12343633 PGPVNRYRWRGYOP-UHFFFAOYSA-N 436.584 6.335 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19855326 PUMHXNHZVUZKGS-CPJSRVTESA-N 433.523 5.387 30 50 IKEA O=C(/C=C/c1cccc(O[C@@H](C(=O)O)c2ccccc2)c1)c1cnn(Cc2ccccc2)c1 1875322998 RFJJSHNBEJRPLA-ZUSJUXBOSA-N 438.483 5.032 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)[C@H]3CC[C@H]4O3)n2)cc1OC 2325866156 BTWDBQFNHHGJEE-MISYRCLQSA-N 432.501 5.224 30 50 IKEA C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)Oc1ccc(C(C)C)cc1 17095675 HZBVHBGKSMFTNF-KRWDZBQOSA-N 428.001 6.673 30 50 IKEA C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)n1C 20601003 ZLBGSILMABWXSE-MRXNPFEDSA-N 428.989 5.386 30 50 IKEA CCCCCCCNC(=O)CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 59681914 MGGNTFJKZBVEHH-UHFFFAOYSA-N 449.664 7.093 30 50 IKEA C=C(CN1Cc2ccccc2-c2ccccc2C1)C(=O)N[C@@H](c1ccccc1)c1cccnc1 2325826331 YQEDXEUOCFONOE-LJAQVGFWSA-N 445.566 5.526 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(O)c1 1197097 AGZTXHSFHYTNJZ-HXUWFJFHSA-N 430.426 5.098 30 50 IKEA COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccccc2)c(Cl)c1 4546931 RZWAHTGGSSNXIY-UIOOFZCWSA-N 439.942 7.166 30 50 IKEA O=S(=O)(/N=C(\Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1)c1ccc(Cl)cc1 6975026 PIYQUGHKNHOZJL-UHFFFAOYSA-N 441.286 5.519 30 50 IKEA CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 9184889 MMXPVYJCUOUUPZ-JOCHJYFZSA-N 431.875 5.326 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 19536173 DJZBLXGFFYGOPQ-RUZDIDTESA-N 431.532 5.185 30 50 IKEA CC(C)(C)c1cc(Br)cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1O 22017753 KEDVGDMVMDBYGB-RVTFTXCGSA-N 436.353 7.618 30 50 IKEA CCCCCCCCCC[C@H](C(=O)OCCC)[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 97950630 MAOHBPQBENRTJV-HSZRJFAPSA-N 445.495 7.422 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218078929 BXNOBDTXRLWMJR-VCDYGYSOSA-N 438.266 5.446 30 50 IKEA biogenic C=CCCCCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 585666272 NYZBBPVAHAVGKJ-MUUNZHRXSA-N 449.591 6.675 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 717670 NVSMXBWCDAZHLR-MWTRTKDXSA-N 439.552 5.448 30 50 IKEA Cc1ccc(C/N=C(/S)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 2856282 AYPDCZGGQWZOLI-UHFFFAOYSA-N 425.579 5.002 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCCCC1 16399918 FBCVSGWZMNGIPU-UHFFFAOYSA-N 439.890 5.397 30 50 IKEA Cc1cccc(NC(=S)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 2553292 KAYPECWNGRJNIE-WPWMEQJKSA-N 439.540 5.688 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(C)cc2C)SC1=S 2878636 MIOYXIOVDCVFQY-CJLVFECKSA-N 439.602 5.539 30 50 IKEA O=[N+]([O-])c1ccc(NN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 15635742 DQAUQPSZVBKBLH-UHFFFAOYSA-N 431.235 5.674 30 50 IKEA biogenic CCCOc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1 16310142 WYIGXMWSNDTVFP-USHMODERSA-N 438.531 5.775 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 2101312 HNTMKSKJRZRWKS-MXCAZFEMSA-N 444.637 5.681 30 50 IKEA biogenic C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 9472368 KHYOPUZNBHHDRP-QHCPKHFHSA-N 447.462 5.070 30 50 IKEA C=CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)N=C3C)o2)c1 16266541 BKJLMDWYDOEDQW-JCMHNJIXSA-N 430.435 5.235 30 50 IKEA C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC 19594662 MVHLDOFKHFTDSA-UHFFFAOYSA-N 449.591 5.623 30 50 IKEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl 19841349 AEVIWDMPEPQNCG-UHFFFAOYSA-N 437.902 5.461 30 50 IKEA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 1848444123 NGYUKGNHUKYVIX-QHCPKHFHSA-N 434.967 5.891 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 1213033 IEZGPYRAYNHBCB-RBZFPXEDSA-N 435.486 5.651 30 50 IKEA O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1)c1ccccc1 4231425 NHWUJCNIZBFDKH-YZSQISJMSA-N 425.513 5.380 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 9043174 XMCCXPYRDDZXTN-HXUWFJFHSA-N 439.298 5.167 30 50 IKEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 9186774 CIGXJOQQVYILDJ-DEOSSOPVSA-N 443.499 5.012 30 50 IKEA CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1 100311451 JYTIZSQDKOCWQI-UHFFFAOYSA-N 446.760 10.286 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc12 666963 XQSQMDZQANDGKB-ZBLYBZFDSA-N 437.539 5.765 30 50 IKEA Fc1ccc(Br)cc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 2239317 JSDFGTCPPGRDHW-IFRROFPPSA-N 446.132 5.324 30 50 IKEA O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 9559936 JUEYCOQFLNHMEV-WMZHIEFXSA-N 427.475 5.622 30 50 IKEA COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 15836456 NARKYBNNZQLZNN-PTNGSMBKSA-N 440.499 5.461 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC 85530556 ZKHOYAKAFALNQD-UHFFFAOYSA-N 438.781 10.322 30 50 IKEA biogenic,in-vitro CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCCCC3)o2)CC1 1857799461 DMUDIRDAIAEYOD-GCKKQHTFSA-N 434.628 6.649 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 630121 YWAXPUVZPSJNGK-DNOBIOAJSA-N 440.499 5.403 30 50 IKEA C=CCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC1=S 2977263 WUDYBGJIPINKHA-RGEXLXHISA-N 431.966 5.185 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1 4064918 MXFDBTUHCCBVNF-XRHLQHRESA-N 426.516 5.683 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)cc1 19762184 VSCKTDPFELJHJH-DEOSSOPVSA-N 431.532 5.043 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 253614948 MQYXUWHLBZFQQO-ZYMJEMKZSA-N 426.729 8.025 30 50 IKEA in-vitro O=C(O[C@H](/C(O)=N/Cc1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 328592392 WOUXDZDALHCPGG-MHZLTWQESA-N 435.523 6.260 30 50 IKEA Cc1c(/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 3189417 PNKDORBZKGUUQR-VEILYXNESA-N 433.515 5.088 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F 16731757 TZZSGINJMGTZAB-QHCPKHFHSA-N 433.479 5.629 30 50 IKEA CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl 100611975 PFQDBCCUCKOIFO-INIZCTEOSA-N 438.852 5.454 30 50 IKEA C=CCn1c(CSc2nc3ccccc3s2)nnc1SC/C=C/c1ccccc1 1895701 NJHGNCNYKLXGRB-DHZHZOJOSA-N 436.631 6.172 30 50 IKEA CC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 2199711 VBQVKXRTWMFEIQ-OAQYLSRUSA-N 443.981 5.481 30 50 IKEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2c3ccccc3cc3ccccc23)cc1OC 2356526 BPUQSUQNPDXIQL-CVKSISIWSA-N 440.528 5.813 30 50 IKEA CCN(CC)[P+](CNC(=O)C12CC3CC(CC(C3)C1)C2)(N(CC)CC)N(CC)CC 4953051 JLENVYLJKINPMT-UHFFFAOYSA-O 439.649 5.065 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9008885 VJTJLCNHVVRRIN-XMMPIXPASA-N 429.476 6.077 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(F)c2)cc1 812864 QSTWRMPTFOQGTR-MRDQGFSESA-N 432.470 5.953 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 861122 FLWSURSIFHMWID-WGDIFIGCSA-N 441.487 5.583 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 1009965 CPLNGBNICXUHSF-OAQYLSRUSA-N 449.963 5.556 30 50 IKEA N#Cc1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCCC2 2069275 URUMDWQFFQDLQU-HNNXBMFYSA-N 434.801 5.098 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c3ccccc13)Nc1ccccc1-2 2073656 KTYFTAHHIRPSFF-JOCHJYFZSA-N 428.517 5.482 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc(C(=O)c3ccccc3)cc1N2 9861254 JFOJXPWQRSGYCA-AREMUKBSSA-N 438.483 5.232 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(F)cc2)cc1 19855370 JZVUAWGNWBCWQD-UQBPGWFLSA-N 449.522 5.148 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4cc(OC)ccc4OC)c3c2C1 25580602 BIQAKCCSGMCNET-BYEGDDEQSA-N 438.597 5.696 30 50 IKEA COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1F 1074528 XDKMKSMRMGPQFU-SSOJOUAXSA-N 449.522 5.148 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1OC 100971077 WZPPWKXTPOEURF-UHFFFAOYSA-N 448.692 8.087 30 50 IKEA CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(NCc1ccccc1)c1ccccc1 19534892 IHOKZJJHJWKVFD-WJOKGBTCSA-N 427.547 6.547 30 50 IKEA CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1cccc(Cl)c1C 101016023 QVSQMUMIIKKALF-UHFFFAOYSA-N 432.992 7.688 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 630130 YWAXPUVZPSJNGK-CLYVBNDRSA-N 440.499 5.403 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 18155752 CYCYNJMNVMKCRD-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 21722286 RIGWGBHEFHVKHV-RUZDIDTESA-N 427.504 6.109 30 50 IKEA CCCCN(CCOC(C)=O)c1ccc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1 31476973 ARSKJXYLLONUAJ-CYYJNZCTSA-N 448.483 5.232 30 50 IKEA in-vitro COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1OC 709952 CCSSORKAWNHSNJ-DNOBIOAJSA-N 444.506 5.822 30 50 IKEA CCc1c(C)sc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C#N 2739036 KKHVZTVTTAMNAN-UHFFFAOYSA-N 445.426 5.064 30 50 IKEA CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 4060372 KXTDPSFRKVEGGC-IBVKSMDESA-N 445.559 5.400 30 50 IKEA CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 4065112 HFWYMXXBUFGSLR-UZTOHYMASA-N 444.962 6.718 30 50 IKEA CCCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 8396798 AZSQKYMBAGGFGD-AREMUKBSSA-N 445.559 5.577 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O 13568555 BNQZVNDPPTXWIL-MRDQGFSESA-N 446.934 6.034 30 50 IKEA CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525275 DOMWKUIIPQCAJU-UCQAOWIRSA-N 428.613 5.970 30 50 IKEA C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)CC1 758976 NRLHFCLKMFBIIK-HRFSGMKKSA-N 438.011 6.607 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC 1217622 VGEDZCPHLUUQHL-WTYVLRPYSA-N 440.543 5.992 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1 2450634 YOIWBQZPMPCDHC-UHFFFAOYSA-N 426.973 5.639 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 2755324 NDYYYUREJCRBGO-AREMUKBSSA-N 427.544 5.807 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 13319820 UDMMNQOSUANUMY-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA O=C(/C=C\c1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 16156395 FQTBATMWPPXGOH-UUIZBEJXSA-N 433.507 5.247 30 50 IKEA CCOc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 19865389 XZNYWKZYTUABSV-KWPJTZOTSA-N 444.556 6.293 30 50 IKEA C=CCSc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 19878695 YLTJOKCNVJLJPT-UHFFFAOYSA-N 427.707 5.541 30 50 IKEA COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)ccc1O 9434050 SQEHLXZIOVCQDW-SANMLTNESA-N 440.499 5.218 30 50 IKEA C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc2c(c1)OCO2 17099001 FFCDSDUTZZCIIW-UHFFFAOYSA-N 434.546 5.276 30 50 IKEA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)cc1 22239189 IFTXIOHUBCQHFX-QINSGFPZSA-N 428.557 6.532 30 50 IKEA C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)(C)O 33822428 BPEQZNMKGFTMQE-AYOVJLNISA-N 428.657 5.871 30 50 IKEA in-vitro CCOc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cc1OC 96514194 ORMKCMYXXNPOFC-UHFFFAOYSA-N 442.552 5.580 30 50 IKEA COCCCn1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1ccc(SC(C)C)cc1 328603294 FKVXATOOJCGDPE-AGHHOFFYSA-N 431.602 5.215 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O 812933 OSQNVTKXOKFBHH-IVCQMTBJSA-N 446.934 6.034 30 50 IKEA in-vitro CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc3c(c2)OCO3)C1=O 2902438 QHQHLTCPWHOYGY-FYJGNVAPSA-N 445.496 5.112 30 50 IKEA CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(NCc1ccccc1)c1ccccc1 19534895 IHOKZJJHJWKVFD-HKBQPEDESA-N 427.547 6.547 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)cc2)cc1 19855366 JZVUAWGNWBCWQD-DFBJGRDBSA-N 449.522 5.148 30 50 IKEA Clc1ccc(-c2csc(N/N=C/c3ccc(Br)cc3)n2)cc1Cl 20073654 FIPUELFNGBRFQC-DNTJNYDQSA-N 427.154 6.325 30 50 IKEA CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 20617980 FBYGKKDUUMRILZ-FSJBWODESA-N 442.928 5.666 30 50 IKEA CN1/C(=C\N=C2C(=O)C=C(N3CCc4ccccc43)c3ccccc32)C(C)(C)c2ccccc21 334156992 XTARLDHTHIAOSF-AOAGUHBJSA-N 445.566 5.731 30 50 IKEA COc1ccc(CCNc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 1857800106 UFFGLZNGXOMZFJ-UHFFFAOYSA-N 429.476 5.357 30 50 IKEA COc1ccc(-n2c(C)c(C#N)c3cc(Br)c(O)c(Br)c32)cc1 978450 IDSDCOYQARMLEA-UHFFFAOYSA-N 436.103 5.050 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1C(F)(F)F 1127606 ALEVSAGTMVIFJA-RNODOKPDSA-N 447.478 5.302 30 50 IKEA C=CCSC1=N/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 3002236 WGLPHRSAFXBFEY-PDGQHHTCSA-N 445.993 6.207 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 4067209 AVJGPYYMGUTUTI-SANMLTNESA-N 445.559 5.229 30 50 IKEA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br 6844232 VPQQZKWYZYVTMU-UHFFFAOYSA-N 448.951 5.713 30 50 IKEA in-vitro CCOc1cc(/C=C2\C(=O)C(=O)c3ccccc32)cc(/N=N\c2cccc([N+](=O)[O-])c2)c1O 23634205 QUUUBLZRQSTVCG-XFYJVRFLSA-N 443.415 5.421 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1204428 LMWOXDKLWIKHDC-XTXDOFFSSA-N 429.447 5.017 30 50 IKEA COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OC(=O)Nc1cccc(Cl)c1 2173845 PGBYATWTRARJNM-BRJLIKDPSA-N 449.721 7.017 30 50 IKEA CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 8426805 VTAUTJAZIHITQQ-AREMUKBSSA-N 445.559 5.229 30 50 IKEA Cc1ccccc1S(=O)(=O)/N=C(\Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 16319332 BBUCUPOEXUDFOO-UHFFFAOYSA-N 434.439 5.141 30 50 IKEA C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccc(OCc2ccccc2)c1 19772984 ADDABRJJDSQJPT-MWAVMZGNSA-N 435.571 5.571 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4ccc(OC)c(OC)c4)c3c2C1 19879803 XTGBMTDYYFWIIP-BYEGDDEQSA-N 438.597 5.696 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1 217738176 PQALWAMMDDOMKX-FKYOTISTSA-N 449.462 5.301 30 50 IKEA biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257358569 VEEBKUQFPONGGR-FLTUUUFBSA-N 444.700 7.171 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 709965 HJCKFKPMUDVFJX-CJAUYULYSA-N 434.461 6.685 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 1175588 PHUCGVPECAHFDE-OAQYLSRUSA-N 428.866 5.225 30 50 IKEA COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 9123183 YSXMGWOQEKTMTN-XMMPIXPASA-N 443.499 5.094 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 2784245 YNMSAXPRGZAOGJ-YADARESESA-N 435.951 5.655 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 2844518 HSRHEDXSOZKCBK-QVKFZJNVSA-N 445.437 5.223 30 50 IKEA CC(C)(C)C1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O 95670513 VEDXDZRQOYXKTL-UHFFFAOYSA-N 434.664 7.895 30 50 IKEA in-vitro CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H](C#N)[C@@]2(O)C1 247822076 IKAYYSYGCHKPAB-BWYLQKMCSA-N 443.716 6.987 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC 720131 SUQRXGNRUNKAAR-OWJWWREXSA-N 432.545 5.745 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 1107177 KVBFJHWUHYHGJR-GKVSMKOHSA-N 445.906 6.228 30 50 IKEA COC(=O)c1c(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)sc2c1CCCC2 1181877 KKAUYDVPPZZSHH-UHFFFAOYSA-N 445.540 5.284 30 50 IKEA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 10013538 XUQUTXAGLBYFDG-JOCHJYFZSA-N 438.930 5.722 30 50 IKEA O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 16662412 QZFGQBJWAPWRSN-HXEHVNBISA-N 425.340 6.802 30 50 IKEA C=C[C@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 43762861 QRKKLUUKPHEPNI-HTCDDSELSA-N 436.658 5.855 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 822770 URHCQHNCKYUNEI-CYFREDJKSA-N 435.951 5.653 30 50 IKEA C=CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O 1146084 FSECSJONKAOSII-PDGQHHTCSA-N 430.323 5.250 30 50 IKEA Cc1ccc(COc2ccc(Cl)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 1156326 IGVCGPGSHVNFAF-UHFFFAOYSA-N 448.946 6.355 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 8739494 XSNZQLRHBCSYNV-HXUWFJFHSA-N 432.545 5.532 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCN1CCCCC1 252441230 LDRSZLORBJFCJZ-ZKESZXJYSA-N 427.629 5.306 30 50 IKEA biogenic CCCCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 4417962 INFUVSOZCYBBND-VWLOTQADSA-N 437.580 5.709 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(I)c1 18250040 MYEIBTIZYYFAFE-HXUWFJFHSA-N 444.316 5.513 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1cccc2ccccc12 2553330 KTXMQIHTBDFOMA-YZSQISJMSA-N 425.513 5.380 30 50 IKEA Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 2790907 BYNAUSKQQZFGOL-OLZOCXBDSA-N 449.418 5.238 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 4115232 RTTVSPBXTUERDY-QFIPXVFZSA-N 427.610 5.149 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 9861130 UDMMNQOSUANUMY-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1 15837256 VNZPCJPEJWDQNC-QXMHVHEDSA-N 435.346 6.259 30 50 IKEA CCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 32691009 WDSXXKVNWLGRKN-ANYBSYGZSA-N 436.559 6.826 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 257350155 VEEBKUQFPONGGR-TZGMUMITSA-N 444.700 7.171 30 50 IKEA C=CCn1c2ccccc2c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 1427834 OWNWGZBJSPMCEU-UHFFFAOYSA-N 431.399 5.244 30 50 IKEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)SC1=S 2964893 OWUUPQCEIDHYNN-CPNJWEJPSA-N 445.993 5.705 30 50 IKEA CCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 96179144 LIPNXQLBCIZNOH-FPEJUQHSSA-N 445.544 5.250 30 50 IKEA COc1ccc(-c2c(C#N)c(SCc3nc4ccccc4[nH]3)nc(C)c2C(C)=O)cc1 951723456 LPBFHQPRVHBKBD-UHFFFAOYSA-N 428.517 5.309 30 50 IKEA Cc1ccc(C2(CNc3oc([C@@H]4C[C@H]4c4cccc(F)c4)nc3C#N)CCCCC2)cc1 1857798499 KADKOEVPZCIPIQ-XZOQPEGZSA-N 429.539 6.579 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2ccccc2c1Cl 1148863 LODKRMBLTSNCEK-UHFFFAOYSA-N 443.956 6.113 30 50 IKEA N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1ccc(Br)o1 657544 FYCAVEZZMHCLHC-UHFFFAOYSA-N 442.121 6.201 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 1177193 KRQRITBIGHTDQJ-JOCHJYFZSA-N 438.930 5.722 30 50 IKEA COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2OC)cc1 2164912 KYTLMSUVQQERIA-RNIAWFEPSA-N 434.408 5.021 30 50 IKEA COc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 2349938 VDWBMMHVRBZXQO-FOKLQQMPSA-N 429.332 5.585 30 50 IKEA C=CCn1c(CN(C)Cc2ccc(-c3ccccc3C)cc2)nnc1SC[C@@H]1CCCO1 55182729 QWBYJVSUEFAZFR-QHCPKHFHSA-N 448.636 5.343 30 50 IKEA COc1cccc(OC)c1/C=C/C(=O)c1c(O)nc2ccc(C)cc2c1-c1ccccc1 328598912 OZKQTFHUSRFUAI-FYWRMAATSA-N 425.484 5.829 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2)cc1 1201661 PWYJPRWOFILLSA-QHCPKHFHSA-N 437.923 5.060 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(F)c2)cc1 1204087 NOCCFNHRVZGIOG-DEOSSOPVSA-N 449.522 5.182 30 50 IKEA CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(C)cc2)CC1 5354709 LKGUWMGDYINCHI-UHFFFAOYSA-N 437.591 5.645 30 50 IKEA Oc1nc2cc(Cl)ccc2nc1/C(=N/Nc1ccccc1)[C@H](O)c1ccc(Cl)cc1 5400650 OWDXJEXIUNKQIO-XAUWAZNKSA-N 439.302 5.192 30 50 IKEA C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2)o1 6142115 VTVZBJAINPBAPU-FMSCZUEMSA-N 449.963 5.663 30 50 IKEA Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1 230187415 YYJOHIQCSCXTOM-OIKPOIBNSA-N 444.538 5.291 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 758140 DKOWFPXWOGZNDE-NRFANRHFSA-N 442.342 5.705 30 50 IKEA CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1430115 PBTQKDHOKIUUQU-WBVHZDCISA-N 429.347 5.187 30 50 IKEA CCCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC 1440054 UEOQDOBFGOJTCW-MUUNZHRXSA-N 441.527 6.227 30 50 IKEA C=CCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 2493471 FMPDRPSBKCXPIH-OAHLLOKOSA-N 443.569 5.119 30 50 IKEA CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1 9008931 SXEVFMVPVOXNKA-UHFFFAOYSA-N 442.563 5.682 30 50 IKEA CCCCCCCCOC[C@]12CO[C@@H](c3ccc(F)cc3)N1[C@@H](c1ccc(F)cc1)OC2 252514545 CVIAQUAIMWJTQD-GPOLMCQNSA-N 445.550 6.141 30 50 IKEA C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC 2119868 HPZHFLVPEDXEJI-XSFVSMFZSA-N 427.547 5.065 30 50 IKEA Cc1cc(C)c(/C=N/c2ccc(-c3ccc(/N=C/c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 2894930 BYFNOEVGTLAECE-ZXHXELASSA-N 444.622 8.705 30 50 IKEA Fc1ccc(Nc2nc(N/N=C/c3cccc4ccccc34)nc(N3CCCCC3)n2)cc1 8397357 YAMFACUMKIPIEB-WPWMEQJKSA-N 441.514 5.344 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 9046140 MZMZUYCKJBITOA-VWLOTQADSA-N 436.983 6.673 30 50 IKEA COc1ccc2[nH]c3c(=O)n(N=C[C@H]4CC=C(CCC=C(C)C)C[C@H]4C)c(O)nc3c2c1 253534155 ZTMKRAFIEVYSGH-SJLPKXTDSA-N 434.540 5.145 30 50 IKEA biogenic CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@H]2c1ccccc1 1430165 TWQHCAPSVFNBOC-IBGZPJMESA-N 444.600 6.052 30 50 IKEA O=C1C[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 9560032 ZUWADTXKBCRFAB-XJKSGUPXSA-N 430.729 5.107 30 50 IKEA COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1 9993320 JRZVUVPVECGDJQ-NRFANRHFSA-N 442.496 5.088 30 50 IKEA CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Br)cc3)o2)cc1 12125021 UABRPSONZAGZLU-ACCUITESSA-N 425.278 5.782 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1 19635429 GJXNZLWSOVVDNT-NYHFZMIOSA-N 442.342 5.528 30 50 IKEA Cc1ccc(C=NN=C2/C(=C(/O)C(c3ccccc3)c3ccccc3)C(=O)c3ccccc32)o1 252679494 NIUOLHPWJOKCPA-ZRDONGIOSA-N 446.506 6.252 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 1082101 KCENSAJUJSBWMW-JPYJTQIMSA-N 436.939 5.048 30 50 IKEA Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1Cl 15016563 KTHSSYVEJXEAMZ-ODLFYWEKSA-N 429.328 6.453 30 50 IKEA CCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 82034531 IRLRPTGJQBWBNF-UHFFFAOYSA-N 426.623 6.354 30 50 IKEA C=C[C@@H]1OC(C)(C)O[C@@H]1[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 214470753 IFKBNLONMTWHJO-KKUQBAQOSA-N 430.544 5.062 30 50 IKEA Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)n1 970402 ZXSWZMCTVZMEBK-UHFFFAOYSA-N 442.302 5.687 30 50 IKEA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 1175441 ABSKUYHPUOTOHA-IBGZPJMESA-N 432.467 5.374 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 1221160 GLFGLAVYEGWMMO-SANMLTNESA-N 445.559 5.228 30 50 IKEA N#Cc1c(Cl)nc(N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 12376528 XWLUYGJXDDDKFR-OPEKNORGSA-N 431.710 5.938 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc12 18285124 XTDJTDQSFSJBQM-MHZLTWQESA-N 441.575 6.357 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4ccc(OC)c(OC)c4)c3c2C1 19879799 XTGBMTDYYFWIIP-WMMPRDMWSA-N 438.597 5.696 30 50 IKEA CCCCCCCCCCCCCCCCC[C@H](O)c1ccc(C(=O)O)c(Cl)c1 56897612 SYCYJNHKNPPDAT-DEOSSOPVSA-N 425.053 8.333 30 50 IKEA in-man CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 97950797 XZTKKQSXYVCNGS-OAQYLSRUSA-N 449.894 7.612 30 50 IKEA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118914734 PMBSWZWCNKVWLV-DCQSCMHASA-N 442.684 7.139 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Br)C2=C(CCCC2=O)N1 1213393 GMUGSLOUSBOHRG-OAQYLSRUSA-N 444.369 5.293 30 50 IKEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2695937 LGYHSGZFCNGXQQ-WPWMEQJKSA-N 442.588 6.366 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 4064667 MQCRGRCXXRGJAF-IBVKSMDESA-N 445.559 5.400 30 50 IKEA CC(C=C1SC=C(c2ccccc2)N1c1ccccc1)=Nc1ccc(Br)cc1 1857666598 BHEYWZCXCCAHMO-UHFFFAOYSA-N 447.401 7.635 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 861012 CCILKLKMVFVRRU-QFIPXVFZSA-N 425.916 6.087 30 50 IKEA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1 22239194 AHIQZHNJTIRWLG-PFONDFGASA-N 429.317 6.198 30 50 IKEA CCCCCCCCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccccc2)cc1 97943423 FJBLWLWXKDTUKE-QVIHXGFCSA-N 436.640 9.489 30 50 IKEA COc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccco1 225438181 ZASLMWARKTZHOU-LSHDLFTRSA-N 449.688 5.413 30 50 IKEA O=C1C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)c2ccccc21 665477 CCTSKGHGVJQBGG-UHFFFAOYSA-N 437.264 5.630 30 50 IKEA COc1ccc(NC(=S)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2553595 XMDZHFHECJKLGJ-ZVHZXABRSA-N 425.941 5.248 30 50 IKEA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C 5195411 QYIMSPSDBYKPPY-DLBGYGIOSA-N 426.729 9.816 30 50 IKEA in-vitro CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc2ncccc12 13303958 OOZYLMDLLGLYEG-JXAXBCJLSA-N 448.573 5.237 30 50 IKEA CC(C)OC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 19638818 CSPAKWLFOPDOMO-OAQYLSRUSA-N 443.568 5.576 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 717671 NVSMXBWCDAZHLR-QMHKHESXSA-N 439.552 5.448 30 50 IKEA COc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1 263615696 DRVLEDRKMBCOPK-UHFFFAOYSA-N 443.883 5.137 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 2055129 MZGLMJVWCWYORV-HXUWFJFHSA-N 448.390 6.083 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 8431451 CNNWALFBTGPNRD-VWLOTQADSA-N 447.535 5.928 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC 9982679 QSWKHWCARMUOIP-IERDGZPVSA-N 439.602 5.313 30 50 IKEA CCCC/N=C(\c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 12419336 PQDCVACEIDDUBM-WEMUOSSPSA-N 441.600 6.803 30 50 IKEA Cc1ccccc1NC(=O)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 20418866 BYECETBAQSGJOK-STBIYBPSSA-N 449.579 7.062 30 50 IKEA CN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 20470046 KWBRNOSZNAIKEZ-KHOBFWCSSA-N 427.158 6.282 30 50 IKEA CCCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCC)C2=O)c2ccccc21 100833472 MUERCCAEQMPNJC-VXPUYCOJSA-N 430.639 5.765 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 252695352 YSSYRCSUIQKJPD-UDVWVZSCSA-N 444.700 7.651 30 50 IKEA biogenic CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 2242909 IBUCDDIHJKAJBX-OAQYLSRUSA-N 444.428 5.451 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 4115233 RTTVSPBXTUERDY-JOCHJYFZSA-N 427.610 5.149 30 50 IKEA CCOc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc4ccccc4n3)s2)cc1 8442486 TXNMYTCFCSGBMW-LGJNPRDNSA-N 427.451 6.526 30 50 IKEA CCOc1cc(/C=N/Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)ccc1O 19924494 AHQKVZCGGJHCHU-BYEGDDEQSA-N 438.597 5.783 30 50 IKEA COC(=O)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 101936116 FSXRBMXJBAXAIR-JXKYSLRESA-N 442.540 5.146 30 50 IKEA COc1cc(C=NN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 238924108 RAODBYKFQKPPRJ-UHFFFAOYSA-N 435.955 5.084 30 50 IKEA N#Cc1c(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CCCC3=O)sc2c1CCCCCC2 1429598 ZEFVFTZAZMPPCK-LJQANCHMSA-N 448.563 5.945 30 50 IKEA CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 6075289 RYHCNYOWNHBIFP-UHFFFAOYSA-N 431.517 5.801 30 50 IKEA CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 13568631 NHFCPFSRZFVRAF-GHTZIAJQSA-N 447.575 5.396 30 50 IKEA CCCCCCCCCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 100688359 PULPXYOISJSLKT-UHFFFAOYSA-N 436.666 5.627 30 50 IKEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257358210 SDPXLBMMNBJQCT-ZGXSVSPRSA-N 449.635 5.201 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 717669 NVSMXBWCDAZHLR-WAIKUNEKSA-N 439.552 5.448 30 50 IKEA CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 3262373 NJQGLEMIZLJEQA-WGOQTCKBSA-N 444.560 5.543 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 4074963 NSTOXWAGNZTKNY-AFMDSPMNSA-N 427.479 5.141 30 50 IKEA Fc1cccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1 13304461 GYCLWOGZMAPNDQ-CVKSISIWSA-N 447.311 6.158 30 50 IKEA C[C@@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 658695 TWYXZUGWLLZXOA-CYBMUJFWSA-N 447.507 5.670 30 50 IKEA CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1430114 PBTQKDHOKIUUQU-NVXWUHKLSA-N 429.347 5.187 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)cc1 4046888 IBSKXRMGHUTOPQ-DFXYEROKSA-N 446.550 6.828 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)c3ccc(C)cc3)CC[C@H]12 248114362 ZJUABQDERHSYQM-OYHZZYGJSA-N 440.605 5.634 30 50 IKEA C[C@@]12CC/C(=N/Nc3cccc(Cl)c3Cl)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 253499202 HESAJDXBMHQLJH-UGDXGDCNSA-N 445.434 7.293 30 50 IKEA biogenic Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)CCC[C@H]43)C2)cc1 253597583 DJKUHJBPRWSFHW-NNRMZFPESA-N 430.654 6.502 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 718181 AEKKKQZGFKZCDI-JOCHJYFZSA-N 441.449 5.417 30 50 IKEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(C)cc1 35999625 DJVFQKNCPSZHOP-UHFFFAOYSA-N 427.548 5.758 30 50 IKEA COc1nc2ccccc2cc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 170619954 TUFSJHLVBTVONF-JFLMPSFJSA-N 439.906 5.953 30 50 IKEA CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)cc1 2739310 CLPDLIRHZNCABD-RTWAWAEBSA-N 434.992 6.881 30 50 IKEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(Cl)c(Cl)cc1Cl 17729716 XGMFVOLXRUHPNU-UHFFFAOYSA-N 429.738 6.934 30 50 IKEA C=CCN1C(=O)/C(=C/c2cc(OC)ccc2OCc2cccc3ccccc23)SC1=S 22358372 VPEKNNJXASUGRQ-HAHDFKILSA-N 447.581 5.815 30 50 IKEA Cc1cccc(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3cccnc3)C3=C2CCCC3=O)c1 1124482 FSEAJXXMNHSWOK-XMMPIXPASA-N 435.527 5.054 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 1213132 IPOXFBRCQVZDRD-NRFANRHFSA-N 444.915 5.092 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc3ccccc23)C2=C(CCCC2=O)N1 1220246 YLQHGMDPTJHSMS-MHZLTWQESA-N 437.539 5.594 30 50 IKEA CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4060371 KXTDPSFRKVEGGC-RXFWQSSRSA-N 445.559 5.400 30 50 IKEA Cn1c(-c2ccc(Br)s2)nc2cc(/N=C/c3ccc([N+](=O)[O-])o3)ccc21 4543037 DNIMLJASOZSXJX-DJKKODMXSA-N 431.271 5.316 30 50 IKEA S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccc(Cl)c(Cl)c1 9108787 YKCJJFBVHVCRLP-UFWORHAWSA-N 428.142 5.559 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 18286041 HPNULZLDPIMLNF-MRDQGFSESA-N 430.935 6.328 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Br)cc1 19721013 DGVQUIVMQBNTKQ-CTNGQTDRSA-N 434.333 5.491 30 50 IKEA CCCNc1nc(CSc2nc(C(F)(F)F)cc(C)c2C#N)c(C(=O)OCC)s1 20607355 LYQNWYIGMJQCIS-UHFFFAOYSA-N 444.504 5.028 30 50 IKEA CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 20617940 ZSOXWGWUIHTWGR-GZIVZEMBSA-N 447.294 5.689 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 101016202 YEZKHPCJUHWFEA-UHFFFAOYSA-N 439.640 9.122 30 50 IKEA Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccc(Cl)cc1 6459929 YKPAGHFWHBMDOY-JOPVOSQUSA-N 429.903 5.831 30 50 IKEA CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 8926757 FXNBYLPGDWPUPX-CMJOXMDJSA-N 441.618 5.685 30 50 IKEA COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 9379998 MALXMVHNCKIESU-QFIPXVFZSA-N 433.891 5.127 30 50 IKEA O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 9560067 LWURXLAWGAYRRJ-AVRDEDQJSA-N 443.930 6.137 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCCOc3c(C)cccc3C)cc2)SC1=S 22228951 XCCANBSIJRPKKG-HKWRFOASSA-N 425.575 5.148 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 72400086 NKQFKJYKCVDLPT-KHPPLWFESA-N 440.624 8.044 30 50 IKEA in-vitro CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 672274 LOHBBIJNKKFBPB-WINIVTDRSA-N 427.548 6.105 30 50 IKEA CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 1187429 IXJOWDDYUDDZQR-YMVPSHTBSA-N 445.544 5.250 30 50 IKEA O=C(OCc1ccccc1)[C@@H]([C@H](SCc1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2274810 PNLJTDSOHFTNAV-DNQXCXABSA-N 446.528 5.531 30 50 IKEA COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)c1 4075115 CFAAYVLWXFPNFY-DNOBIOAJSA-N 440.499 5.403 30 50 IKEA CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)cc1 15800501 ZRJJEOLWVAPPKB-PZIWGWIQSA-N 433.339 5.438 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1 985525 KUNGZANNQKGWNF-UHFFFAOYSA-N 441.571 6.282 30 50 IKEA biogenic,in-vitro Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21722376 OXCAGMKLVXIXBK-XMMPIXPASA-N 429.545 6.269 30 50 IKEA N#Cc1ccc(/C=C2/C[C@@]3(C/C(=C\c4ccc(C#N)cc4)C2=O)C(=O)Nc2ccccc23)cc1 252457320 YTEJROWLENHHFL-BWKGIIJZSA-N 441.490 5.150 30 50 IKEA CC(C)(C)OC(=O)N1CCC(Cc2ccccc2/C(O)=N/CC2(c3ccccn3)CC2)CC1 328596434 PTAGNYZBTFLUHJ-UHFFFAOYSA-N 449.595 5.308 30 50 IKEA O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 2566848 PQMQLKQXFSQCGQ-HGAXPLMXSA-N 438.270 7.126 30 50 IKEA C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1Cl 12446503 VCNHUIBYONLTNY-UHFFFAOYSA-N 439.968 5.633 30 50 IKEA COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1 832786 FDFIYZCFKGQPDP-JFLMPSFJSA-N 445.544 5.275 30 50 IKEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 2801388 JTOFCINAFOCETG-OAQYLSRUSA-N 445.943 5.016 30 50 IKEA CCCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 4417967 INFUVSOZCYBBND-RUZDIDTESA-N 437.580 5.709 30 50 IKEA Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc(Cl)cc1 6459951 YKPAGHFWHBMDOY-VLSFKVKESA-N 429.903 5.831 30 50 IKEA C#CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 12342680 IEKMDENAYOCECQ-LICLKQGHSA-N 448.378 5.075 30 50 IKEA CN(/N=C\c1cc(Cl)cc(Cl)c1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 16310129 DHUCRUJHZBOSLF-DICXZTSXSA-N 449.341 6.293 30 50 IKEA CC[C@H](C)O[P@@](=O)(O[C@H](C)CC)[C@H](c1cccc(Br)c1)C(C#N)C#N 239165082 NKOFMRPMDSNOGU-XQOWOBEZSA-N 427.279 5.977 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 2758043 URHCQHNCKYUNEI-DVECYGJZSA-N 435.951 5.653 30 50 IKEA CC(C)(C)c1ccc(CSc2nc3c(c(-c4ccc(Cl)cc4)c2C#N)CCC3)cc1 8809624 IZODHYBXWNNZDP-UHFFFAOYSA-N 433.020 7.352 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 18324592 KFMRSICDARYYBV-XHCCPWGMSA-N 426.516 5.683 30 50 IKEA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 27547489 IIUOTKYMYVTEIO-HXUWFJFHSA-N 432.467 5.374 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc2ccccc2c1CCCN 101017399 LUOGJZXTLYYYBU-UHFFFAOYSA-N 425.701 8.591 30 50 IKEA C[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 169816738 TWGUTXODLIYIKU-UHFFFAOYSA-N 434.349 5.626 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1 856554 LZWMCIHUFKFIJD-XHCCPWGMSA-N 442.584 6.397 30 50 IKEA O=C(/C=C/c1ccccc1Cl)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 2702111 OKXYBIBYQZZFSH-MEGHBNGPSA-N 429.825 6.728 30 50 IKEA biogenic,in-vitro COc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3o2)cc1 2756904 DNAKIAZHCDTYCD-CZMNVGCUSA-N 433.305 6.682 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)o2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 8857451 RJURTOCYQLFIPM-VOIUYBSRSA-N 437.561 5.497 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1 716972 HVUWVUHNSBZCNF-QHCPKHFHSA-N 437.486 5.312 30 50 IKEA CCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 1213746 LIPNXQLBCIZNOH-VQAHOFKPSA-N 445.544 5.250 30 50 IKEA C=CCn1c(SCc2ccc(Br)cc2)nc2sc3c(c2c1=O)CCC3 2910919 JABQEGXCWMLUIC-UHFFFAOYSA-N 433.396 5.188 30 50 IKEA CCCCCCCCC[C@@]1(O)[C@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245246456 MEFGTSQMHVIFOC-CXXSABEWSA-N 435.696 7.996 30 50 IKEA N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCCOc1ccccc1 1775964815 FDWSVHSWSKNDCA-UHFFFAOYSA-N 435.867 5.530 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 1213265 TZIRPBWBLGPZKR-NRFANRHFSA-N 444.915 5.092 30 50 IKEA C=CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 2054772 FFVQSGXZVMNIFP-UHFFFAOYSA-N 428.601 6.244 30 50 IKEA biogenic O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)(F)C(F)(F)F 2191524 LGTQKCOWVXLPKJ-UHFFFAOYSA-N 426.313 5.174 30 50 IKEA C/C(=N/Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 12342937 LAEZOPXWDZHZJL-NTFVMDSBSA-N 427.439 5.694 30 50 IKEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 16393636 QBOBMTBXBZBAST-KOSHJBKYSA-N 441.556 5.143 30 50 IKEA CC(C)CC(=O)N[C@@H](Oc1ccc(/C=N/Nc2ccccc2)cc1)C(Cl)(Cl)Cl 25580136 UYHXWYVNRQDRFM-BBMHEYIBSA-N 442.774 5.370 30 50 IKEA C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1Br 43761280 XGWXJOUEENXVOJ-LSHDLFTRSA-N 441.181 6.716 30 50 IKEA C/N=C(/O)[C@H]1CCCc2sc(/C=C/c3ccc(OCc4ccccc4)c(OC)c3)nc21 328589754 WRNCLRBJTOMSFM-XUDAUXSOSA-N 434.561 5.907 30 50 IKEA COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 796178 VXFZTYCXOSXQLQ-UHFFFAOYSA-N 447.506 5.114 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 4199805 WDXYBELJSVHFQV-LRTDBIEQSA-N 442.393 5.336 30 50 IKEA CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 4635557 CDXZMWKCWCVSJZ-RUZDIDTESA-N 447.554 5.279 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4c(C)[nH]c5ccccc45)c3c2C1 8970234 HFPUONVHCJBZDV-UVHCEKQDSA-N 431.609 6.468 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(Br)cc1 9184952 FVKHOZHJJZLNMD-FQEVSTJZSA-N 434.289 5.232 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1N 101016947 SIIVTNVVZIFVLS-UHFFFAOYSA-N 440.694 6.379 30 50 IKEA CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 120566394 KJCIEPRMJJUJPF-ROFKBFRPSA-N 445.695 7.625 30 50 IKEA Cc1sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 239229114 USOLBVYBTREFQK-YHDSQAASSA-N 434.561 5.570 30 50 IKEA CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 257348677 HXUGNDVVHVLCAY-VWWUWDCMSA-N 442.684 7.139 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O 812931 OSQNVTKXOKFBHH-PUAOIOHZSA-N 446.934 6.034 30 50 IKEA in-vitro CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 2757849 RWXTWGDPYNQHNG-PXDATVDWSA-N 447.600 5.345 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 18206099 CYCYNJMNVMKCRD-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 169683832 CWPKVJRKDYJFFN-OEOHJPKBSA-N 433.382 7.879 30 50 IKEA C#Cc1ccc(NC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(Cl)c1 1875318759 VQZDBFGXBDHUJP-GOSISDBHSA-N 425.916 5.783 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1OC 883255 NOHJYOJEXDRYDO-MYUZEXMDSA-N 442.515 5.389 30 50 IKEA C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccoc2)CC1 12040701 VBIPYSAQMCTXRF-UHFFFAOYSA-N 428.989 5.382 30 50 IKEA C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 15009900 JJQAUXLZLBFMNO-WQRHYEAKSA-N 448.327 5.251 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2 672603 JKOMNYJZWAZQKC-CJAUYULYSA-N 445.360 6.429 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1 681736 MNMDEHXZKFJNTK-NSYGIPOTSA-N 443.459 5.108 30 50 IKEA CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4043998 LPRZIIKGLMNTQR-HFZDXXHNSA-N 444.575 5.067 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 4064193 TWRWTRGHSIGDHC-RUZDIDTESA-N 431.532 5.187 30 50 IKEA COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccccc2)c(Cl)c1 4546930 RZWAHTGGSSNXIY-FTJBHMTQSA-N 439.942 7.166 30 50 IKEA CCCCCCCCCCCCCCCCC[C@@H](O)c1ccc(C(=O)O)c(Cl)c1 8214378 SYCYJNHKNPPDAT-XMMPIXPASA-N 425.053 8.333 30 50 IKEA in-man CCN(CC)c1ccc(/C=C(/C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 8871990 QMWPTFQSFOYQBC-NKFKGCMQSA-N 426.516 6.106 30 50 IKEA C=C(Cl)COc1nc2cc(SC)ccc2cc1CNC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 102371721 KLCSCXWSFINBCG-GPRBRWFOSA-N 445.028 5.117 30 50 IKEA COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 806599 PQFJEWKLYNXFGB-RUZDIDTESA-N 431.513 5.579 30 50 IKEA CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 12652486 RTLVASMBPGAUNB-FYSMJZIKSA-N 431.492 5.366 30 50 IKEA O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1 9296670 GKMMFSAFTYITEF-LDADJPATSA-N 425.307 5.601 30 50 IKEA CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 97950698 AWTHZKFPTUSFIU-HNNXBMFYSA-N 442.815 5.285 30 50 IKEA Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1 230187408 YYJOHIQCSCXTOM-WYMJOSIYSA-N 444.538 5.291 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 3461825 LKOLIWPFEGPTIO-HNNXBMFYSA-N 433.356 5.144 30 50 IKEA CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4047853 AGQNVTZMIXEHKC-PZGXJGMVSA-N 437.587 6.512 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(OCC(=O)O)cc1 8855104 ZPHDEPJPUHFYBR-AREMUKBSSA-N 427.500 5.613 30 50 IKEA CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 12652491 RTLVASMBPGAUNB-UPCLLVRISA-N 431.492 5.366 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccsc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 18098550 MZPAAWHGHGFLMU-GAJHUEQPSA-N 445.544 5.045 30 50 IKEA CN(C)c1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1 408525711 WAUFSABQADPQGA-MFKUBSTISA-N 446.352 5.571 30 50 IKEA Clc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3Cl)cc2)cc1 1882084 DNPWJNYWWYZJCF-GFTXTJKWSA-N 443.377 8.085 30 50 IKEA Cc1ccccc1C(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 2071611 MJLKQVLUJLZLEN-GOSISDBHSA-N 442.799 5.345 30 50 IKEA CCN(CC)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 6720508 VSICIECRBYHMGG-MHZLTWQESA-N 425.576 6.391 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S 19799103 IMLFGUSTQOTZKB-HMMYKYKNSA-N 445.993 5.575 30 50 IKEA CCN(CC)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 2843349 UHPFATMSXBVRQZ-LGJNPRDNSA-N 437.918 7.079 30 50 IKEA O=C(Cc1ccccc1)ON[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 3137402 XCPRKWZJHBFJOP-OAHLLOKOSA-N 442.557 5.392 30 50 IKEA C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)n1C 14987038 UHPYTJDBKRTRSJ-QGZVFWFLSA-N 428.989 5.386 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 17028617 MZMZUYCKJBITOA-RUZDIDTESA-N 436.983 6.673 30 50 IKEA COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1 25514846 SOBZMVGVFNGCRI-VUTHCHCSSA-N 443.591 5.043 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 100163363 ZGLHBRQAEXKACO-XJRQOBMKSA-N 428.657 5.727 30 50 IKEA endogenous,in-man CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348899 JVBJMRIVVNLPKI-DMHUNYQISA-N 433.677 6.024 30 50 IKEA C=CC1(Cc2nc(-c3ccc(N4CCCC4)cn3)nn2[C@H](C)C(F)(F)F)CCCCC1 1875348057 HDRJHAMGIWZNNR-QGZVFWFLSA-N 433.522 5.743 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)s1 994455 MEOAIUDWLHOVHU-HXUWFJFHSA-N 445.382 5.674 30 50 IKEA CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC 2792446 UBCZTMJKKKKYAV-KRWDZBQOSA-N 440.609 5.749 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 19761159 JESQQNXVXJKARR-RGIAPHJHSA-N 433.523 5.529 30 50 IKEA CCCCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21 100658325 PXFDZMVFZHPIFH-UHFFFAOYSA-N 447.362 6.237 30 50 IKEA CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(C(=O)OC)cc1N 101013952 ZTGYQWRFYXBREN-UHFFFAOYSA-N 439.662 6.310 30 50 IKEA CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](C#N)[C@@]2(O)C1 118915792 IKAYYSYGCHKPAB-ZTYLKHIKSA-N 443.716 6.987 30 50 IKEA CN1[C@H](c2ccccc2)C[C@H](/N=C\c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 245328607 VOXJOUOUCQMCPD-BFAIWIFXSA-N 430.595 7.076 30 50 IKEA C=CCn1c2ccccc2c2nnc(SCCCC(=O)c3ccc(C(C)(C)C)cc3)nc21 9408838 DVVFRKHOZRRVAG-UHFFFAOYSA-N 444.604 6.218 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 1772491837 UOCUEIOMIAYZNI-JFGXOORESA-N 428.613 5.468 30 50 IKEA C=C1C[C@H]2[C@H](OCc3ccc(OC)cc3)[C@@H](C)C[C@H]2[C@@]2(O)[C@H]1C[C@@H]1C(C)(C)CC(=O)[C@@]12C 71786756 QIHUPRXUAFZFNA-IDBUGFEZSA-N 438.608 5.185 30 50 IKEA CN1C[C@H](OC(=O)C=C2CCC(C)(C)CC2)C[C@H]1C/N=C(/O)C=C1CCC(C)(C)CC1 328600538 YLGNBQXAWREKFF-FCHUYYIVSA-N 430.633 5.612 30 50 IKEA Clc1cccc2c(C#Cc3ccccc3)c3cccc(Cl)c3c(C#Cc3ccccc3)c12 2167087 YONGNHJIWAYNLC-UHFFFAOYSA-N 447.364 8.099 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)cc1 2755402 GXWXXHPJFWRBGO-VWLOTQADSA-N 447.600 5.618 30 50 IKEA COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCCC4)cc2OC)cc1 19840915 SUNRMQDUYXRLGB-UHFFFAOYSA-N 443.547 5.458 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1107159 RFRLKHBOFUCJLI-NSYGIPOTSA-N 445.906 6.228 30 50 IKEA C=CCc1ccccc1OCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 2985178 GFSBXDHTSMCFJH-NMWGTECJSA-N 425.484 5.217 30 50 IKEA CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 8426804 VTAUTJAZIHITQQ-SANMLTNESA-N 445.559 5.229 30 50 IKEA Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 9319462 REJRUZRZEKNGGI-MFKUBSTISA-N 430.581 5.590 30 50 IKEA CCCCCCCOc1c(C(=O)c2ccccc2)cc2c3c(cccc13)C(=O)c1ccccc1-2 100368523 JVCPSMYEYWMKLR-UHFFFAOYSA-N 448.562 7.631 30 50 IKEA COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1O 795659 TUOCHJKUFIMDRA-SANMLTNESA-N 440.499 5.218 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1120535 COVPLLUFWZDQIK-JTHBVZDNSA-N 433.548 5.050 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1202585 VAHSKKMELNMDEV-DFBJGRDBSA-N 433.523 5.387 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 8415099 WYVWOVOWASGNHA-QFIPXVFZSA-N 438.930 5.722 30 50 IKEA O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc2ccccc2oc1=O 390834838 GKWUTTDDNKWAOM-NTCAYCPXSA-N 436.442 5.681 30 50 IKEA CC(C)(C)c1ccc(C2(CNC(=O)C3(c4ccc(F)c(C#N)c4)CCCC3)CCCC2)cc1 1875343792 UYXBSZDYUZOBRT-UHFFFAOYSA-N 446.610 6.435 30 50 IKEA CCc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c(C#N)c(C(F)(F)F)c1C 663917 NFTMQSDGWJQSBZ-UHFFFAOYSA-N 448.297 5.881 30 50 IKEA CC(C)(C)c1cc(C2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O 2894351 BXSQSSRIJCMFTA-UHFFFAOYSA-N 431.576 5.873 30 50 IKEA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1 15837458 OTBCYVXLJLACDT-SSZFMOIBSA-N 429.317 6.198 30 50 IKEA COc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 16675907 SFHBNSRSDZRFBW-MTJSOVHGSA-N 449.488 5.372 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc13)N2 1424706 WGADOOZKZYOCEQ-PUAOIOHZSA-N 436.467 5.515 30 50 IKEA Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 8434868 LOSZFWOHDLPJAT-DHRITJCHSA-N 436.302 5.664 30 50 IKEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 206463526 GZHOPMJZHKLMJB-UNMCSNQZSA-N 438.612 5.216 30 50 IKEA C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O 253406712 JDWJFRUHQILALZ-JJUBJSHISA-N 428.440 5.292 30 50 IKEA biogenic N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1-c1cccs1)CCCC2 1026136 PRUNQBVAAQICCY-UHFFFAOYSA-N 434.542 5.264 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1c(F)c(F)c(F)c(F)c1F 2906049 GMGCRMXJWPGWAV-XMMPIXPASA-N 443.415 6.845 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(-c2ccc(F)cc2)cs1 25694700 SPXJYNTZSMMERY-UHFFFAOYSA-N 449.591 6.527 30 50 IKEA CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C 238997476 AITJTURKCCCOIZ-TXTKFYIRSA-N 441.402 7.134 30 50 IKEA C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O 257357610 PBCULPOTNCGYFY-MSLHOTIOSA-N 442.596 5.328 30 50 IKEA COc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 879513 LQJMYSDWKXXUTC-UHFFFAOYSA-N 449.479 5.440 30 50 IKEA CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 9762894 DUNRWRKRPPMHOD-HSZRJFAPSA-N 439.353 5.756 30 50 IKEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 17028046 SDWFGQVANVRFCC-AREMUKBSSA-N 432.564 5.884 30 50 IKEA CC(C)(O)C#Cc1ccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(O)c2)cc1 20999283 ZHFAJQYSASOATN-NDEPHWFRSA-N 436.555 5.144 30 50 IKEA Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21722374 OXCAGMKLVXIXBK-DEOSSOPVSA-N 429.545 6.269 30 50 IKEA C[C@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 102625462 QHSOFLQDNNTTDE-XRFYJGMOSA-N 430.460 6.081 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]12C 257349272 MXIKNOBYVNLDDR-SSXLBPEZSA-N 430.677 7.378 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4=CCCC4)cc3)n2)cc1OC 2325735764 WCUKWNVRSNZYMO-HXUWFJFHSA-N 430.529 5.885 30 50 IKEA CCOC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)OCC)cc3)cc2)cc1 1229113 XXNPRFBDAFEAHG-XUIWWLCJSA-N 428.488 5.541 30 50 IKEA COc1ccc(C=O)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N 8456236 KPOVJOZPYQLCMA-UHFFFAOYSA-N 428.435 5.752 30 50 IKEA C=CCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1NC(=O)c1ccc(Cl)cc1 12444705 PATZEHKTCHBHLH-UHFFFAOYSA-N 434.348 5.388 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19762435 YWGBWEAQQLRIII-YWEHKCAJSA-N 449.550 5.792 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccc(F)cc2)c1 25694986 DHFHSIULJLOUCM-DEOSSOPVSA-N 449.522 5.182 30 50 IKEA CC1(C)OB(/C(=C(\B2OC(C)(C)C(C)(C)O2)c2ccccc2)c2ccccc2)OC1(C)C 169807880 YFLBNMYBKXYNJN-DQRAZIAOSA-N 432.178 5.860 30 50 IKEA CC(C)[C@H](OC(=O)[C@@H](/N=C(/O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 328592493 YJLIOOYMVZHWAN-GOTSBHOMSA-N 448.494 5.078 30 50 IKEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 682682 ICDDYVJYXMNNCS-NRFANRHFSA-N 444.453 5.401 30 50 IKEA Cc1ccc2c(c1)-c1c(ss/c1=[S+]\CC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)N2 3880379 LZQIHZDHDCBAGR-UHFFFAOYSA-N 443.595 5.851 30 50 IKEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 4078857 LBSCKXDYZKHMGB-WGDIFIGCSA-N 444.918 6.048 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C 13915996 XAXMBZMCJULYBA-RUZDIDTESA-N 449.522 5.162 30 50 IKEA C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccc(C)o2)CC1 14879498 YXBNIFHOMRBKLN-UHFFFAOYSA-N 443.016 5.691 30 50 IKEA Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 691010 GKFBVCFBFCUTNX-UHFFFAOYSA-N 437.977 6.145 30 50 IKEA Fc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2506451 IYTCTXLMCSANFW-VULFUBBASA-N 433.487 5.138 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1OC 812851 KEJCZAYCFMYQRW-SOKVYYICSA-N 444.506 5.822 30 50 IKEA CCc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 1432337 IJVGFXGSURVCEL-HXUWFJFHSA-N 444.600 5.979 30 50 IKEA C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 12342948 ZPMUQRJHSHASDR-FXZATJRASA-N 438.358 5.761 30 50 IKEA CCOc1ccc(N/C(=N/C(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)cc1 13899564 AFNWBRMKZIHUOD-UHFFFAOYSA-N 438.919 5.258 30 50 IKEA O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]23)cc1 221542320 LRZMINYCHKGPFT-ZWQCLNLXSA-N 443.503 5.829 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 1445918 ZFRJQLJGTOIGFV-DWXRJYCRSA-N 435.479 6.120 30 50 IKEA CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 2190006 YICPRIVRYRCVKF-RUZDIDTESA-N 447.962 6.907 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3F)C2)[C@@H]1c1ccccc1 17044107 MMIBLOSSVCAZDX-PPHZAIPVSA-N 426.491 5.746 30 50 IKEA Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 21722284 RIGWGBHEFHVKHV-VWLOTQADSA-N 427.504 6.109 30 50 IKEA CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC 43352128 OKBQUWUVZGPEQZ-UHFFFAOYSA-N 427.762 10.886 30 50 IKEA in-vitro C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(OP(C(C)(C)C)C(C)(C)C)n1 98043383 UMZSGKRJFYPVEF-VFCFBJKWSA-N 440.612 8.842 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F 100557869 MWMIJAWLJKOUTF-AVRWGWEMSA-N 449.522 5.149 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]12C 254385797 CYPQELKXBYBDOE-XVVYIGRDSA-N 446.628 5.154 30 50 IKEA C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@@]1(O)C1=CCCC[C@@H]1[Si](C)(C)c1ccccc1)C2(C)C 257355462 AUXKMQHVEKOAFZ-SNQOQQGOSA-N 440.700 5.425 30 50 IKEA CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 672259 KUVCTWBIVUECOM-HMILPKGGSA-N 440.543 6.073 30 50 IKEA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 2553394 UJRHEXMDTACHBG-KOEQRZSOSA-N 433.533 5.015 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 2796111 ZMINNEZOMLJMAP-JOCHJYFZSA-N 427.972 5.820 30 50 IKEA CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)cc(OC)c32)cc1 4794672 LTDKSJCNNZLYJX-DEOSSOPVSA-N 434.580 5.751 30 50 IKEA CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC 95713197 COFKFSSWMQHKMD-UHFFFAOYSA-N 437.841 10.711 30 50 IKEA N#Cc1cccc(Oc2cccc(C(=O)OCc3ccc(Br)cc3)c2)c1C#N 1116153 VFSSAOZLSMVDGN-UHFFFAOYSA-N 433.261 5.342 30 50 IKEA CC(=O)Nc1c(SC(F)(F)F)cc(SC(F)(F)F)cc1SC(F)(F)F 2846214 GOYPLDCRGURLEF-UHFFFAOYSA-N 435.358 6.481 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1cccc(Br)c1)Nc1ccccc1-2 2878640 BEUDILDRAPKPFR-QGZVFWFLSA-N 427.327 5.082 30 50 IKEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)C1 100003529 DBPFAJNWKCOZOA-LJQANCHMSA-N 447.915 5.107 30 50 IKEA CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 100717216 IXJOWDDYUDDZQR-GOTSBPSXSA-N 445.544 5.250 30 50 IKEA C[C@H](C1CC1)n1nccc1N=C(O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 328596699 QKPPTHHBOPUPFY-CYBMUJFWSA-N 426.423 5.151 30 50 IKEA N#Cc1cc(Sc2ccc(Br)cc2)c(-n2nnc3ccccc32)cc1C#N 1099242 USRFMXZBQBEIOJ-UHFFFAOYSA-N 432.306 5.078 30 50 IKEA N#Cc1ccccc1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2846267 BYYKIUAORHBLTR-UHFFFAOYSA-N 429.570 5.490 30 50 IKEA CCc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013693 UOLSNFLKQATORM-DEOSSOPVSA-N 432.539 5.631 30 50 IKEA CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCN 220111612 XNBZKOAMRXTXHO-UHFFFAOYSA-N 445.729 6.273 30 50 IKEA COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O 253501626 PFLCXOYUUHWAGR-NHMXABCESA-N 439.640 5.984 30 50 IKEA biogenic C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 1114167 OLKQAKVVJNMMIH-UHFFFAOYSA-N 449.363 5.177 30 50 IKEA CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 8846662 NVTWIXACOHQGCP-CBZJRKILSA-N 444.962 6.718 30 50 IKEA C/C(=N\Nc1c(Cl)cncc1Cl)c1cc2cc(Br)ccc2oc1=O 12343288 FUPDQRULPJWESU-ODCIPOBUSA-N 427.085 5.093 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1 12381906 QMJDXUNAWVEDGN-AFMDSPMNSA-N 426.516 5.836 30 50 IKEA O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccccc2)cc1 12558319 BXXIGSAQVWQYRB-ISLYRVAYSA-N 427.507 6.497 30 50 IKEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)C1 100003531 DBPFAJNWKCOZOA-IBGZPJMESA-N 447.915 5.107 30 50 IKEA CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C 169748461 NZTBACVVLACPNL-UHFFFAOYSA-N 430.356 7.112 30 50 IKEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 708827 VEMXZDDCIZHGKV-NVQXNPDNSA-N 443.543 5.044 30 50 IKEA biogenic N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1 238882225 CUSNQPJPCUMNGJ-MIZPHKNDSA-N 434.490 5.345 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)s3)n2)cc1OC 2325703194 XWFPYUATUDAPFQ-NSHDSACASA-N 449.351 5.141 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 681730 SGENHWCBNUIGCF-KWMCUTETSA-N 435.527 6.156 30 50 IKEA Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1 1201652 LSQGSDDXGORWJA-MHZLTWQESA-N 439.559 5.411 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC 1217621 VGEDZCPHLUUQHL-MMTVBGGISA-N 440.543 5.992 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 2927016 BACMQGSHIULFSS-NLFFAJNJSA-N 431.532 5.010 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccco1 18148521 PSGCIEYNZHQEKN-XMMPIXPASA-N 443.572 6.293 30 50 IKEA CCN1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 25762103 YWXFWSSWXFFSNG-UTLPMFLDSA-N 441.185 6.672 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC 709673 BMGCNEXJQXCUPY-DWXRJYCRSA-N 427.504 5.078 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1OC 9559908 GIPWOQUJELTBGT-XJKSGUPXSA-N 446.330 5.015 30 50 IKEA C=C[C@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(/C)COCc1ccc(OC)cc1 1501069175 QRKKLUUKPHEPNI-RLSLHINCSA-N 436.658 5.855 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 1132870 QHBICNYMJNTCBC-XCLFUZPHSA-N 432.303 5.121 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 2055156 OJJOXPNKKIAKSJ-LJQANCHMSA-N 432.358 5.006 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3F)cc1)Nc1ccc3ccccc3c12 2191668 GNCZFYYXNDJFPJ-SSEXGKCCSA-N 449.525 7.231 30 50 IKEA CCCCCCCCCCCCCC(=O)N[C@H](Nn1cnnc1)C(Cl)(Cl)Cl 97950948 NHYATYLVGJSZJG-QGZVFWFLSA-N 440.847 5.335 30 50 IKEA CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1 101122787 UJTFFZSBTHJEGC-AQRXXJNJSA-N 435.611 5.490 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4cc(C)ccc4c3)n2)cc1OC 2325866647 UAGNFQRWLIVOAZ-FQEVSTJZSA-N 428.513 5.779 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8809706 HBTABMLBZYAMMQ-SMIHKQSGSA-N 437.524 5.041 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 9065286 REPOGVPKXXNEMH-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 9331516 NVADBJPISFMYEC-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 2927019 BACMQGSHIULFSS-CJFMBICVSA-N 431.532 5.010 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1 4064903 MXFDBTUHCCBVNF-CLYVBNDRSA-N 426.516 5.683 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 4064502 XSNLCTYJONDVHU-YHAMSUFESA-N 448.925 6.467 30 50 IKEA biogenic,in-vitro CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC(F)F)cc3)c2C#N)C1 13959826 YSDXAPCZFLBDEP-UJNBGNEJSA-N 430.520 6.024 30 50 IKEA CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccc(N(C)C)c3)C[C@@]21C 71766907 MREOZLCREPXSCQ-VBWGZTFCSA-N 429.604 5.407 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]12C 254385775 CYPQELKXBYBDOE-FJYPBRCGSA-N 446.628 5.154 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 649742 CUAQGFKCHYSLKC-QFIPXVFZSA-N 439.353 5.612 30 50 IKEA C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1 11714450 SMMGAQXZLBERLU-ROUUACIJSA-N 427.570 5.225 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 717672 NVSMXBWCDAZHLR-HJPURHCSSA-N 439.552 5.448 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 861346 IXPGNTPEPUTNDM-DWXRJYCRSA-N 430.935 6.328 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 2868468 KZRBESXBLONNEJ-RUZDIDTESA-N 431.532 5.185 30 50 IKEA C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)C1CCCCC1 8385015 QHSJPLDQJYSMPY-NXUGVVLJSA-N 440.491 5.418 30 50 IKEA CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 12416645 MBAKNYDGHLYQIR-QFIPXVFZSA-N 434.326 6.515 30 50 IKEA Brc1ccccc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 19848786 LBIXGYYBZJHRRP-LGUFXXKBSA-N 434.381 5.190 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4ccc(Cl)cc4Cl)c3c2C1 25559721 LFXXQLWGGFPIDY-HHSJQWSCSA-N 447.435 6.985 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 245238352 LJQHVTRFOZQNII-HIHCUNAASA-N 444.537 6.592 30 50 IKEA CC(C)Oc1ccccc1[C@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1 684837 NIKVNJYTYCJLII-XMMPIXPASA-N 428.557 5.287 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1c[nH]nc1-c1ccc(F)cc1 718235 PDHZCNLVKYEUQO-XMMPIXPASA-N 438.506 5.965 30 50 IKEA CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 13568544 XNPQQCZYFCCLKP-QUGAMOGWSA-N 430.573 6.515 30 50 IKEA COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 18324507 HEQSNBCMHSCOIC-DEOSSOPVSA-N 436.552 5.551 30 50 IKEA COc1ccc(-c2csc(N(/N=C(\C)c3ccc(Cl)cc3)c3ccccc3)n2)cc1 25560155 HMWDMYDZIWYAKP-WPWMEQJKSA-N 433.964 7.034 30 50 IKEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257358208 SDPXLBMMNBJQCT-IMFLAHHJSA-N 449.635 5.201 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 872434 IGNKQYZXOGECOQ-UZTOHYMASA-N 426.516 5.899 30 50 IKEA O=C1CCCC2=C1C(c1ccc(OCc3ccccc3Cl)cc1)C1=C(CCCC1=O)N2 1095394 BBKWKDXGHYDVOY-UHFFFAOYSA-N 433.935 5.620 30 50 IKEA C#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 1770607 OKHRFNBPRHXZNL-UHFFFAOYSA-N 426.585 5.442 30 50 IKEA COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc2ccccc2s1 6459060 IYWQSLCVXDSORP-NRFANRHFSA-N 442.496 5.088 30 50 IKEA Fc1c(F)c(F)c(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(F)c1F 13303703 YVEFTAVSQOUNHO-XKJRVUDJSA-N 440.375 5.952 30 50 IKEA O=C1/C(=C/N(C(=O)c2ccco2)c2ccc(Br)cc2)Sc2ccccc21 1103132 DALYEYYKQBDCGB-PDGQHHTCSA-N 426.291 5.519 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(CC)cc1 2757372 LROSTCZLJWODRG-NVQXNPDNSA-N 429.560 5.564 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(F)cc1 9044078 GXCUYFSLMHNBHP-FQEVSTJZSA-N 432.417 5.531 30 50 IKEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)c(Cl)c1 19841247 QJZWYOQUPMMQNB-UHFFFAOYSA-N 437.902 5.461 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 252441228 LBERVHLCXUMDOT-SYHBSSCQSA-N 442.684 7.571 30 50 IKEA O=C1CCCC2=C1C(c1ccc(O)c(Cl)c1)C1=C(CCCC1=O)N2Cc1ccccc1 1156538 OBJVLORQHHIDIO-UHFFFAOYSA-N 433.935 5.659 30 50 IKEA Cc1c(/N=C/c2ccccc2OC(=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 2262606 OZAUPUPIKGQSNL-JVWAILMASA-N 445.906 5.108 30 50 IKEA CCCCCCCCCCCCCCCc1cc(Cl)nc2c(OC)ccc(OC)c12 100853412 GKLXRCHLRFYKTO-UHFFFAOYSA-N 434.064 8.539 30 50 IKEA CCCCCCCCCCc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 101174307 SJFJTXGVRWRVFF-UHFFFAOYSA-N 428.620 8.740 30 50 IKEA COc1ccc(O)c(/C=N/c2ccc(/N=C3/c4ccccc4C(=O)[C@H]3c3ccccc3)cc2)c1 105993914 BJAPDPASLPNVLA-YYEMBEGVSA-N 446.506 6.252 30 50 IKEA Cc1ccc(-c2cnc(CCC(O)=Nc3cccc(Cl)c3S(=O)(=O)C(C)C)o2)cc1 328595620 ZIBNIAPCOQZAQL-UHFFFAOYSA-N 446.956 5.706 30 50 IKEA CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2c(cc1Cl)OCO2 714194 UNQNZVVOJZRGFT-UHFFFAOYSA-N 428.912 5.469 30 50 IKEA C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(C)cc2c1=O 1122215 STCHSXHAFZYGOS-UHFFFAOYSA-N 431.391 5.296 30 50 IKEA CCCCCCCC/C=C\CCCCCCCCOCCP(O)C(=O)C[N+](C)(C)C 198772655 QCTJEAZVOMWZAQ-SEYXRHQNSA-N 444.661 6.663 30 50 IKEA CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253501613 NKJYZYWCGKSMSV-WQGQLRQUSA-N 442.640 6.360 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl 668370 BWBNFUAXBGAFBL-HSZRJFAPSA-N 443.374 6.546 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 709776 KKFOCULDYZFJPV-DNOBIOAJSA-N 434.495 5.773 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 16293762 NYOLGTHMWYXCMV-IQGLISFBSA-N 449.522 5.149 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1 20136269 BOCTWKRYRYIDQR-UHFFFAOYSA-N 441.571 6.452 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@@H]4CC4(F)F)cc3)n2)cc1OC 2325866308 HCYHGXZRWUHLBE-SJORKVTESA-N 440.471 5.440 30 50 IKEA CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 2013778 ZXQYGBMAQZUVMI-RDDWSQKMSA-N 449.856 6.544 30 50 IKEA in-man C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 8779097 VLUPEUDLWZGSSO-CLCOLTQESA-N 439.511 6.605 30 50 IKEA C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(CC=C)C1=O 8872400 HZDFMFHDPFRAHV-XLNRJJMWSA-N 437.586 5.260 30 50 IKEA CCOC(=O)N1C=C[C@H]2C=C[C@H]1[C@]1(C)C(=O)C(C)=C(c3ccccc3)[C@@]21c1ccccc1 254296172 ZLEIAUDTJAGXJQ-ATRCONBKSA-N 425.528 5.528 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H]3O[C@@H]3[C@@]12C 257346888 CYPQELKXBYBDOE-VQGJRAMWSA-N 446.628 5.154 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 1199302 MMIJTDNGKZNQHE-UZTOHYMASA-N 442.946 6.261 30 50 IKEA CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 4060374 KXTDPSFRKVEGGC-FQRUVTKNSA-N 445.559 5.400 30 50 IKEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)c1 9316287 RCNXCFORKZLNFB-WGOQTCKBSA-N 444.560 5.856 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 18175840 IEPDSHZEDUXBDJ-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)CC1=O 257356409 HVPFVUHFUULZFU-KGRMKBBGSA-N 434.693 5.641 30 50 IKEA COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1Cn1nnc2ccccc21 13785290 INXGWDZFNZKCLO-GXDHUFHOSA-N 435.483 5.243 30 50 IKEA CC(C)(O)C#Cc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 716580 VIYNQJJVSTUSIF-UHFFFAOYSA-N 432.560 5.209 30 50 IKEA COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 861345 FAGKBBGHAXKAHP-MRDQGFSESA-N 430.935 6.328 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 1202686 LGJDTSPXJNLJLU-OPAMFIHVSA-N 442.342 5.528 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1Cl 2865525 XTKROYNLQYLBHO-MRXNPFEDSA-N 441.000 6.029 30 50 IKEA CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 9007668 GHSDRJJBTNDFKZ-HSZRJFAPSA-N 446.934 5.637 30 50 IKEA O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1)c1ccccc1N2 15821359 ZBWRMHOZDPBWOD-VWLOTQADSA-N 439.471 5.416 30 50 IKEA CCCCCCCCOc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 218122564 QMLUFQQSSSFIAW-UHFFFAOYSA-N 445.519 6.675 30 50 IKEA C=C(C)[C@@H]1OCC[C@@H]1c1nc(CCOC2CCCCC2)nn1-c1ccc(C(C)(C)C)cc1 1875347334 LJVHWMWUYRTHOP-ZCYQVOJMSA-N 437.628 5.905 30 50 IKEA CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 1875390513 KJCIEPRMJJUJPF-YGFZEMTDSA-N 445.695 7.625 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4cc(OC)c(OC)cc4c3)n2)cc1 2325866772 ZMFJCNYTSDCQRR-FQEVSTJZSA-N 444.512 5.479 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1 9007667 PCRKUKVZFKDURX-FQEVSTJZSA-N 434.289 5.232 30 50 IKEA CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 15018650 RHNBRQVHDQNTMP-UCQKPKSFSA-N 433.485 5.902 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 1078520 CDYCKGHBPGOWND-UHFFFAOYSA-N 436.434 5.020 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 1079488 DJQIISWFCCPVQJ-MRXNPFEDSA-N 426.419 5.037 30 50 IKEA CCCCCCCCCCCCCCOc1ccccc1NCn1nnc2ccccc21 98050352 FGTQEUXJKFEIEW-UHFFFAOYSA-N 436.644 7.581 30 50 IKEA CCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 100969668 FGUUTZCTVLZJHB-UHFFFAOYSA-N 434.621 7.299 30 50 IKEA Cc1cc(C#N)ccc1CCNC(=O)[C@@H](Cc1cccc(C(F)(F)F)c1)C1CCCCC1 1875343442 IWPSOEYNVSFKPX-DEOSSOPVSA-N 442.525 5.983 30 50 IKEA N#Cc1c(NC(=O)/C=C/c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12 3261071 NAEICXRISLRCSX-FOCLMDBBSA-N 429.483 5.156 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 257347669 PMBSWZWCNKVWLV-GYYYIBEDSA-N 442.684 7.139 30 50 IKEA C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(C)cc3)c2c1=O 1801660 WSHUQAIRIFOBMG-UHFFFAOYSA-N 448.569 5.640 30 50 IKEA S=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)Nc1ccccc1 4231428 JGFLIJSDRZGSSS-OEAKJJBVSA-N 440.366 5.349 30 50 IKEA O=C1/C(=C/c2c(Cl)cccc2Cl)CCCC/C1=C\c1c(Cl)cccc1Cl 4547133 ISQLYRSSYXTJMW-PHEQNACWSA-N 426.170 7.910 30 50 IKEA COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2C)c1 11867673 HVBYFMWZBMYFSC-UKTHLTGXSA-N 432.472 5.136 30 50 IKEA biogenic CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 35982123 QHSIPLRFUZZWRP-ZCPGDWHISA-N 431.532 5.096 30 50 IKEA Cc1nc(N/N=C2/C[C@H]3C[C@H]2[C@@H](C)C3(C)C)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 105197171 KEQZDFJKOYAAEQ-IZGIFXELSA-N 427.530 5.082 30 50 IKEA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C#N)C1 239174494 QDCGXDOIVZLMAF-KBAYOESNSA-N 428.598 5.547 30 50 IKEA COc1ccc2[nH]c3c(=O)n(N=C[C@@H]4CC=C(CCC=C(C)C)C[C@@H]4C)c(O)nc3c2c1 253534156 ZTMKRAFIEVYSGH-WMZOPIPTSA-N 434.540 5.145 30 50 IKEA biogenic CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 10013492 LMOMWKOSFYAEJB-JOCHJYFZSA-N 438.930 5.722 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19830814 JHTBJUSVJWSFGY-CJFMBICVSA-N 433.523 5.387 30 50 IKEA COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3cccc(C#Cc4ccccc4)c3)n2)c1 1875280304 QZKRVPSRKQNIHS-GOSISDBHSA-N 438.487 5.028 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1OC 815788 NOXGFUIHZRXLNU-WINIVTDRSA-N 440.543 5.992 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl 1079885 UIMLJUMZFLLHIF-ZDUSSCGKSA-N 436.758 5.692 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(SC)cc1 1184399 BQEAGWNBPANOMQ-OPAMFIHVSA-N 439.602 5.395 30 50 IKEA COc1ccccc1[C@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2 1430773 OVFUNMHMPDLFNT-QGZVFWFLSA-N 432.545 5.035 30 50 IKEA CCCSc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 2504247 NLIFCNUNWPYLPG-OAHLLOKOSA-N 427.595 5.204 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 2874277 KISTUDHVAUUGKV-NRFANRHFSA-N 448.935 6.233 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 9379705 XXDZLOJRLNTJLA-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1)c1ccccc1 9993315 BUVYCAUITHXWQB-HXUWFJFHSA-N 430.460 5.218 30 50 IKEA CCCC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC 1440053 UEOQDOBFGOJTCW-NDEPHWFRSA-N 441.527 6.227 30 50 IKEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl 2055107 AESGGEWVVJMBOS-IBGZPJMESA-N 436.379 5.941 30 50 IKEA N#Cc1c(NC(=O)c2cc3nccc(-c4ccc5ccccc5c4)n3n2)sc2c1CCC2 13644582 ZANZLRXUWKCTCU-UHFFFAOYSA-N 435.512 5.224 30 50 IKEA COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc(Br)cc3)[C@@H]1CC2 18127943 WORYLAZEPKLIAL-GLKBCMMNSA-N 439.353 5.274 30 50 IKEA COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 631014 VFLLVJXBOMJHSF-RUZDIDTESA-N 434.536 5.459 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 709465 KFDGLDPNDVLWLR-CPJLOUKISA-N 445.906 6.228 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19634635 USDMBBGSNOGXPP-WXVAWEFUSA-N 441.571 5.924 30 50 IKEA N#Cc1c(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)sc2c1CCCC2 19881071 JGVNLFXVTHMFCW-JOCHJYFZSA-N 449.963 5.203 30 50 IKEA CCOc1ccc(/C(C)=N/Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)cc1 25559709 DAYFHCCTDUYHQJ-GBYSFBBLSA-N 436.625 6.467 30 50 IKEA Cc1c(Cl)cccc1Oc1ccc(CNc2oc(Cc3ccccc3)nc2C#N)cc1 2050024938 JRNVVRYIFHVXNS-UHFFFAOYSA-N 429.907 6.503 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1O 13568531 LXXCBZMSVOQMKD-ODCWNRFASA-N 446.934 6.034 30 50 IKEA CC1(C)Cc2ccccc2C2=CC(C(F)(F)C(F)F)=C/C(=C3\C=C([N+](=O)[O-])C=CC3=O)N21 137701888 PJAGWYHVPNFKQB-ZPHPHTNESA-N 446.400 5.058 30 50 IKEA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(B3OC(C)(C)C(C)(C)O3)cnc21 169794172 UCGWHVSWLYCJMW-UHFFFAOYSA-N 434.893 6.013 30 50 IKEA in-vitro CC(=O)c1cnc(N=C(O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)s1 328593451 UCQJIVLXVPWYCN-UHFFFAOYSA-N 443.569 5.172 30 50 IKEA COc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1875390524 RZZSYQOCHYTRMK-OZEXXSOMSA-N 448.603 6.152 30 50 IKEA Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(NC(=O)c4ccco4)cc3)o2)c([N+](=O)[O-])c1 16319797 LLERUYMPMICCLO-FMIVXFBMSA-N 442.427 5.905 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)cc1 16447595 DGXSOXOBGCYYPX-ISKFKSNPSA-N 437.539 5.578 30 50 IKEA C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@]1(O)C1=CCCC[C@@H]1[Si](C)(C)c1ccccc1)C2(C)C 257355463 AUXKMQHVEKOAFZ-VHFKECKOSA-N 440.700 5.425 30 50 IKEA N#Cc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1C(F)(F)F 1776003058 SXPUVTQCXVEGBX-UHFFFAOYSA-N 442.294 5.173 30 50 IKEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(Cl)cc2)CC1 632302 XPHYUPWVHUQVMC-UHFFFAOYSA-N 429.955 5.210 30 50 IKEA Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-] 861114 MBGAFOVYUZEWKC-NIYFSFCBSA-N 425.488 5.883 30 50 IKEA N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1ccc(-c2ccccc2)cc1 2773710 KUQLGIUXWZWAMD-UHFFFAOYSA-N 449.362 7.513 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 861347 IXPGNTPEPUTNDM-WXTAPIANSA-N 430.935 6.328 30 50 IKEA CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 1187433 IXJOWDDYUDDZQR-MCMRFMRISA-N 445.544 5.250 30 50 IKEA COc1cc2c(c(OC)c1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 4794659 ZMXMKVXAUOBSMP-FQEVSTJZSA-N 442.353 5.667 30 50 IKEA Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C(C)(C)C)C3)cnn1C 2792860 UPQWKMYKYNVFAW-NEOOYVHHSA-N 440.657 5.754 30 50 IKEA CCCCN1C2=C(C(=O)CCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1c1ccccc1C2=O 2826397 BCYMOPRIXVTDCA-JOCHJYFZSA-N 428.488 5.409 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 12381903 QMJDXUNAWVEDGN-BCHFMIIMSA-N 426.516 5.836 30 50 IKEA C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c(C)c1 33364095 OXBUWOPINDVTJF-KGENOOAVSA-N 447.585 5.244 30 50 IKEA CCCCCCCCCCCCCCCC[C@H](S)C(=O)Nc1ccc(Cl)cc1 101017936 SGYOJHLVFNCXPP-QHCPKHFHSA-N 426.110 8.448 30 50 IKEA OC(=Nc1nnc(-c2ccccc2Cl)s1)c1cccnc1Nc1cccc(F)c1 328590594 FROYJRWEUZGPHL-UHFFFAOYSA-N 425.876 5.773 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1OC 812848 WDIGNQZYAIJBOV-CLYVBNDRSA-N 444.506 5.822 30 50 IKEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 1111576 RZUZOPXILXMCIW-UHFFFAOYSA-N 446.981 5.170 30 50 IKEA CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(F)c2)C2=C1CCCC2=O 1158350 IXHRQLNJTPUJLS-UHFFFAOYSA-N 445.534 5.838 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 8818437 KBIPPHDYJJXYAY-HHHXNRCGSA-N 445.607 5.942 30 50 IKEA CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 9861354 CNXAMYHANVQIQJ-SANMLTNESA-N 440.568 6.229 30 50 IKEA C=C(C)CN(CC)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1 11786167 BNIJQZYMPXRMCX-UHFFFAOYSA-N 443.594 5.103 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1 101020068 KPNVLRCXTPFZOQ-UHFFFAOYSA-N 436.680 9.521 30 50 IKEA CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 245205021 LBERVHLCXUMDOT-ROQNDKPUSA-N 442.684 7.571 30 50 IKEA COc1cc(COc2ccc(C(C)=O)c3ccccc23)ccc1OCc1cccc(C#N)c1 2325865823 RIHGJLBNQCBSKT-UHFFFAOYSA-N 437.495 6.081 30 50 IKEA COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1F 1074525 XDKMKSMRMGPQFU-NSYGIPOTSA-N 449.522 5.148 30 50 IKEA COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(F)c1F 2879931 LLOYOXZLGXCDFB-VIFPVBQESA-N 440.462 5.588 30 50 IKEA COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 9123184 YSXMGWOQEKTMTN-DEOSSOPVSA-N 443.499 5.094 30 50 IKEA CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]4[C@@]3(C)C[C@H]1O2 257350330 WJIXKJVODIQPNM-YEHDBOJLSA-N 444.700 7.376 30 50 IKEA N#Cc1c(NC(=O)c2ccccc2F)n(CCc2ccccc2)c2nc3ccccc3nc12 1875287707 WMGPIRJXGXDVOC-UHFFFAOYSA-N 435.462 5.090 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 844131 SJNPZJQFLYAIKK-HXOBKFHXSA-N 439.914 5.404 30 50 IKEA C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc(Br)ccc1O 2854630 IVRYQSAECHJZGR-UHFFFAOYSA-N 436.762 5.545 30 50 IKEA S=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)NC1CCCCC1 4209896 BKTSXTPYMKJTRW-OEAKJJBVSA-N 446.414 5.159 30 50 IKEA CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1 100813122 DIZHCZLDWLNOBR-UHFFFAOYSA-N 426.667 6.037 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 626573 RTRJDKRKYJMMAP-IBGZPJMESA-N 432.358 5.005 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 720843 HDMIDZMGSQUFQA-SONOPUAISA-N 446.506 6.031 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1nnc(SCc2ccccc2)s1 1446024 NYAUVVODFAMQDT-SFHVURJKSA-N 447.585 5.358 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 9087962 QEEOHGYJWWLBED-NRFANRHFSA-N 448.862 5.027 30 50 IKEA C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)[C@](C)(CO)[C@H]5CC[C@@]43C)[C@H]12 253591483 RFCPTXGFYWKJJB-LMGYJTCYSA-N 442.728 6.997 30 50 IKEA biogenic O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1sc2ccccc2c1Cl 2184300 APYSAELTYBRNRZ-UHFFFAOYSA-N 440.933 5.557 30 50 IKEA Cc1cc2c(cc1C)[n+](CC(=O)c1cccc(Br)c1)cn2Cc1ccccc1 4543126 AAIJOZPGMPBCBK-UHFFFAOYSA-N 434.357 5.239 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19762432 YWGBWEAQQLRIII-UFHPHHKVSA-N 449.550 5.792 30 50 IKEA COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 9264179 JPLOWEVPXSUXRA-AREMUKBSSA-N 439.515 5.908 30 50 IKEA COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccccc2Br)c1 9358282 VASFOVJRNSHEME-PKNBQFBNSA-N 443.318 5.635 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC 9559909 HRGKDTWDANVPNH-CABCVRRESA-N 446.330 5.015 30 50 IKEA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1ccc(C#CC(C)(C)O)s1 12315237 JBAKUGSLNJEITG-QFIPXVFZSA-N 433.621 5.168 30 50 IKEA Cc1ccc2c(c1)c1c3n2CCN(C/C(=N/O)c2ccc(Br)cc2)[C@H]3CCC1 19595373 DVMIVQQSTIZTJJ-WTALZMIHSA-N 438.369 5.284 30 50 IKEA CCCCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(OCC)c(F)c3F)c(F)c2F)CC1 2088617629 HUOASQITFHLADB-WGSAOQKQSA-N 446.528 7.896 30 50 IKEA Cc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cc(Br)ccc3n2)cc1 1073846 ZPDKASZRHSCFBV-UHFFFAOYSA-N 448.345 6.158 30 50 IKEA O=C1CCCC2=C1C(c1cccc(OCc3ccc([N+](=O)[O-])cc3)c1)C1=C(CCCC1=O)O2 1157975 UEVIYBPWEKTELK-UHFFFAOYSA-N 445.471 5.302 30 50 IKEA Oc1ccccc1-c1cc(-c2ccccc2)nc(N/N=C/c2ccc(Br)cc2)n1 8444784 ODZQYOZRBGRAMF-MFKUBSTISA-N 445.320 5.725 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1F)c1ccccc1 9993325 PESMSLZLKCJSHT-HXUWFJFHSA-N 430.460 5.218 30 50 IKEA Cc1ccc(O/C(=N/C2(C(Cl)(Cl)Cl)Oc3ccccc3O2)C(F)(F)F)cc1 1050512 ICGBZBANGVXHDJ-ZVHZXABRSA-N 440.632 5.830 30 50 IKEA C=CCOc1ccc2c(c1)C(=NNc1ccsc1C(=O)OC)c1cc(OCC=C)ccc1-2 20615551 VVRGCACTRUYYPV-UHFFFAOYSA-N 446.528 5.509 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 626981 QLGIRFMZNCMVCP-VWLOTQADSA-N 445.559 5.433 30 50 IKEA O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 2702091 PXKFENJIEIHTFH-ASNDZTLUSA-N 429.825 6.728 30 50 IKEA C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O 13896320 PJLWIOJMHAQWLI-XSFVSMFZSA-N 445.993 5.357 30 50 IKEA Cc1cccc2c1[nH]c1nc(N/N=C\c3ccc(-c4ccc(Br)cc4)o3)nnc12 16671873 XAMSIKYOPHGBBQ-KSEXSDGBSA-N 447.296 5.283 30 50 IKEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 58569269 VMOSPCSOWBEFCJ-HOFFSEQDSA-N 428.532 5.038 30 50 IKEA biogenic C[C@@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 102625458 QHSOFLQDNNTTDE-WSVKJVBWSA-N 430.460 6.081 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@@H]32)C1 225597572 DXRJBJUDWMWZPC-DTWQFKEOSA-N 436.596 5.185 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253498652 IBHLVHLIYYDTRV-NXCVOOECSA-N 439.728 8.494 30 50 IKEA biogenic Cc1ccc(C(=O)CSc2nsc(SCC(=O)c3ccc(C)cc3)c2C#N)cc1 2190302 IZLDKTMEMDTULS-UHFFFAOYSA-N 438.599 5.582 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 16293763 NYOLGTHMWYXCMV-CJAUYULYSA-N 449.522 5.149 30 50 IKEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 58502071 VMOSPCSOWBEFCJ-HTASAFEOSA-N 428.532 5.038 30 50 IKEA biogenic CC(C)c1ccc(/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 100163357 ILNFIRIPCIGYAA-PNHLSOANSA-N 447.376 6.283 30 50 IKEA COc1ccc([C@@H](CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)N2CCCCC2)cc1 1775975777 LCCACSIATSEXFO-VNQWHQNRSA-N 446.526 5.503 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 720678 GTMALCFWCWTLHG-QUGAMOGWSA-N 430.935 6.328 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccnc2)cc1 4035916 CQFWKIXFDAHDJB-DFHRPNOPSA-N 449.554 5.701 30 50 IKEA COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 9066252 ROZACWHXJRDJAS-LJQANCHMSA-N 448.525 5.149 30 50 IKEA Cc1nnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1 150188638 BBGOSBDSLYHMRA-UHFFFAOYSA-N 439.563 5.248 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 253505649 VOETZVYTDQTIBX-PRYWJBBPSA-N 446.588 5.239 30 50 IKEA biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 252430701 GAKVNINHIOJQFK-YPNDZAIESA-N 442.477 6.410 30 50 IKEA CN1CCN(/C(=N\c2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)CC1 1775976666 SQXXFCMDURBYBH-GNVQSUKOSA-N 438.600 5.803 30 50 IKEA CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 672258 KUVCTWBIVUECOM-VKGTZQKMSA-N 440.543 6.073 30 50 IKEA C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 2815604 RSMVCGOMBPLBOA-HKWRFOASSA-N 443.952 5.583 30 50 IKEA N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c(F)c1 2890251 WTVWIOONVPJKQC-UHFFFAOYSA-N 436.240 5.520 30 50 IKEA CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 5092535 KNSLAUYCFAAQEL-WINIVTDRSA-N 427.548 6.105 30 50 IKEA CN(/N=C\c1ccc(Br)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 32691015 QKLDVRIKOJINSR-ONUIUJJFSA-N 443.348 6.043 30 50 IKEA Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)o1 994427 NVDLQMQDNXREAN-MHZLTWQESA-N 440.543 5.974 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(O)c(OCC)c1)Nc1ccccc1-2 2073645 OXSLXYDRHPUFRX-IBGZPJMESA-N 442.928 5.078 30 50 IKEA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)cc1 2542928 TZUCEZLTSYQAKJ-WPWMEQJKSA-N 445.588 5.498 30 50 IKEA CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2C#N)cc1 2739309 CLPDLIRHZNCABD-LEWJYISDSA-N 434.992 6.881 30 50 IKEA C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OC 2849906 CNTMCKKRZSCLTI-YBEGLDIGSA-N 448.700 5.020 30 50 IKEA CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 16346453 RJDAKOJTSQFYTN-AWEZNQCLSA-N 436.364 5.143 30 50 IKEA CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1429784 XMIISBOWIQSXLS-QAPCUYQASA-N 429.347 5.187 30 50 IKEA N#Cc1c(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CCCC3=O)sc2c1CCCCC2 1430161 HGXDRSPJWKJWCL-SFHVURJKSA-N 434.536 5.555 30 50 IKEA CC(C)(C)CC(C)(C)c1ccc(OCCOS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1761762 JAILCIAACZEEST-UHFFFAOYSA-N 435.542 5.093 30 50 IKEA CCCCCCCCCn1c(=O)c(C(=O)Nc2cc(C)ccc2C)c(O)c2ccccc21 2290421 PPTRVZYLAACTNX-UHFFFAOYSA-N 434.580 6.327 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 19850876 IIROCNQGLPEUAO-XMMPIXPASA-N 447.554 5.134 30 50 IKEA CCOc1ccc(N=C(C)/C=C2/SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 334157276 SWONQMMWZNRXGB-JKEOCYTISA-N 430.573 6.118 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccs1 709595 MNLOQRCRYSFXEA-DEOSSOPVSA-N 428.557 6.201 30 50 IKEA C=CCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 2493475 FMPDRPSBKCXPIH-HNNXBMFYSA-N 443.569 5.119 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)N(C(=O)C1CC1)c1ccccc1N2 4035914 MIWCWTRTLAOELW-JIPXPUAJSA-N 435.527 5.392 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)cc1 4046889 IBSKXRMGHUTOPQ-JRPXNJEYSA-N 446.550 6.828 30 50 IKEA CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2 9985056 DNMTVJMATFLCQQ-FQEVSTJZSA-N 439.606 5.088 30 50 IKEA CC1(C)OB(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)OC1(C)C 204309130 WTFLXHPXCVWFEP-UHFFFAOYSA-N 444.383 6.349 30 50 IKEA in-vitro COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC 709637 YSPATPBMNCXEOI-WXTAPIANSA-N 427.504 5.078 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC 709947 HILUGRDIMXMNKP-IVCQMTBJSA-N 432.545 5.745 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 717192 FOXLSVCGCITMAQ-JLTOFOAXSA-N 447.478 5.302 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccnc2)cc1 1001499 VQEAGRYMZHFYAX-CCLHPLFOSA-N 439.515 5.011 30 50 IKEA C=C[C@H](CCC1(CC[C@@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1 43198817 VDGIQSSYFMFIRB-DHIUTWEWSA-N 436.686 7.980 30 50 IKEA COc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1 1430136 JWFLFNWBIYTQJB-LJQANCHMSA-N 446.572 5.425 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 2291659 VEILOHJORFMSSY-DEOSSOPVSA-N 432.907 6.711 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4cccc([N+](=O)[O-])c4)c3c2C1 6462302 GIMBHBUJZDYZDL-JOBSNELWSA-N 437.569 5.977 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 18137678 FCTUPJZLWWGATE-CCLHPLFOSA-N 426.491 5.746 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 217799398 OGVUEVZLBVSKDA-SOFYTKRASA-N 448.858 5.111 30 50 IKEA biogenic CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@@H]3O[C@@]32C1 257350153 VEEBKUQFPONGGR-MNGODGMHSA-N 444.700 7.171 30 50 IKEA CN(C)c1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 662415 GDAYKPCAGLNMJO-HHHXNRCGSA-N 437.543 5.569 30 50 IKEA C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 1098052 XJDBXVZCKXNGOH-UHFFFAOYSA-N 443.981 5.862 30 50 IKEA CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 1459247 AWCFAQPUAJPTMI-WINIVTDRSA-N 427.523 5.871 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)C[C@@H]12 6003267 SZBWKZHLROZHJQ-JMOBTMGKSA-N 432.560 5.831 30 50 IKEA Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)c1 9556365 HHBWDDRAJXMVFH-UHFFFAOYSA-N 445.441 5.817 30 50 IKEA COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19643802 MABDESRNHXMABY-RUZDIDTESA-N 445.559 5.085 30 50 IKEA Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 21356000 VCSCNWKOKQMZNU-RUZDIDTESA-N 443.572 6.577 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1c2ccccc2cc2ccccc12 2346002 NTOXDXURZCUULB-LGJNPRDNSA-N 449.366 6.729 30 50 IKEA CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2390663 PTRPJJTZUCKBIM-YDZHTSKRSA-N 435.380 5.992 30 50 IKEA CC(C)Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 5944673 LXAPIBVDKDUBHI-WPWMEQJKSA-N 445.588 5.201 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 16294216 OYBXZWOJWFPKQS-NIYFSFCBSA-N 443.499 5.286 30 50 IKEA CCCCCCCCCCCCOc1ccc(OCCCCCCCCCCC)cc1 97976940 BHWQWWYHQZVKCP-UHFFFAOYSA-N 432.733 9.896 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 254397362 FVWJYYTZTCVBKE-UJZGQTOSSA-N 442.728 6.997 30 50 IKEA CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257360752 DOMWKUIIPQCAJU-DATQYPTJSA-N 428.613 5.970 30 50 IKEA CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1429782 XMIISBOWIQSXLS-YJBOKZPZSA-N 429.347 5.187 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3Cl)c2C#N)cc1 8763991 FQXUBDLULASPSL-UHFFFAOYSA-N 442.971 7.242 30 50 IKEA CC(C)CC(=O)N[C@H](Oc1ccc(/C=N/Nc2ccccc2)cc1)C(Cl)(Cl)Cl 25580142 UYHXWYVNRQDRFM-NZYROCMPSA-N 442.774 5.370 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 38150946 KIULGBCXKSTGQP-YPKPFQOOSA-N 441.744 9.909 30 50 IKEA in-vitro Cc1nnc(CN(C)[C@@]2(c3ccccc3Cl)CCC/C(=C/c3cccs3)C2=O)o1 170607306 GNHGWRVSQOLAEJ-ORYIKVKISA-N 427.957 5.257 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl)c1ccccc1 856620 GXIDLLVAGNKJCN-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9008808 WHRHZLHXXNQFAM-FQEVSTJZSA-N 439.298 5.167 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19638559 MDKPGMFAWUMHKT-FNZWTVRRSA-N 443.543 5.240 30 50 IKEA CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1c(CC)cccc1CC 101016031 LDQMDDSVMJXMGB-UHFFFAOYSA-N 440.628 7.851 30 50 IKEA CCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103538481 IMLHOIBHVRYUCZ-UHFFFAOYSA-N 434.236 6.322 30 50 IKEA in-vitro COc1cc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)ccc1OCc1ccccc1 17027462 HWABTFZEKLXVQE-AFUMVMLFSA-N 434.496 5.217 30 50 IKEA C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 33957397 KAZZDRRNZVOQBJ-AEVCOSDWSA-N 441.402 7.030 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(C(=O)CC(=O)OC)cc1OC 101017435 DUYHAOVVOQOXCC-UHFFFAOYSA-N 448.644 7.301 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(O)c1 1197099 AGZTXHSFHYTNJZ-FQEVSTJZSA-N 430.426 5.098 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OCC)c1)Nc1ccccc1-2 2073646 OXSLXYDRHPUFRX-LJQANCHMSA-N 442.928 5.078 30 50 IKEA Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 16730660 BWFYLNNXSIZSPZ-UHFFFAOYSA-N 441.478 5.987 30 50 IKEA FC(F)=C(F)OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95676686 RJBJXVAPYONTFE-BYPYZUCNSA-N 432.054 5.666 30 50 IKEA in-vitro FC(F)(F)C(F)(F)C(F)(F)C(I)(C(F)(F)F)C(F)(F)F 95707805 PCOHEQOCJXXENZ-UHFFFAOYSA-N 445.944 5.118 30 50 IKEA in-vitro COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 630720 HEGVWABNIAPBMT-HFJWLAOPSA-N 430.935 6.328 30 50 IKEA COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1OC 1060676 TWFIOUYTMFCUQM-XMMPIXPASA-N 425.488 5.334 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(SC)cc1 1130158 SAXCBFNQTZAPLH-YADARESESA-N 433.573 5.333 30 50 IKEA CCc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 8742242 UAMHNFUXDDMCPH-HOFKKMOUSA-N 443.587 5.810 30 50 IKEA C=CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccc2c(c1)OCO2 19647790 GGAJTNGEMJEYEH-UHFFFAOYSA-N 448.573 5.584 30 50 IKEA C=CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1077779 LZMOFHVYLXNYCI-UHFFFAOYSA-N 448.613 5.501 30 50 IKEA biogenic CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 2784244 YNMSAXPRGZAOGJ-CYFREDJKSA-N 435.951 5.655 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)s2)C2=C(CC(C)(C)CC2=O)N1 8439312 VSMDTURROHSZGZ-DEOSSOPVSA-N 435.589 5.446 30 50 IKEA CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 13827939 ZXQYGBMAQZUVMI-GCMPRSNUSA-N 449.856 6.544 30 50 IKEA in-vitro COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 19646926 JSUGGEPXMUWXJH-RBZFPXEDSA-N 448.371 5.590 30 50 IKEA CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2/C=N/c1ccccc1/N=C/[C@@H]1[C@@H](O)[C@H]2CC[C@@]1(C)C2(C)C 828611177 PUXWGFKLGBSUCF-RHDLQOJASA-N 436.640 5.958 30 50 IKEA C#CCOc1nc(N(c2ccccc2)c2ccccc2)nc(-n2c(C)nc3ccccc32)n1 1796020 USJZTYSDEILLFD-UHFFFAOYSA-N 432.487 5.001 30 50 IKEA COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)c2ccccc2)c1C#N 2274875 GDBKWMVCOYVKSY-UHFFFAOYSA-N 436.536 6.271 30 50 IKEA Cc1c(CCC(C)C)c(Nc2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)c1C#N 16945585 PAFLXGAQBCVHQW-UHFFFAOYSA-N 437.374 7.307 30 50 IKEA CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)OCCCN=[N+]=[N-] 103636287 HQKDQLOBIDMFQX-UHFFFAOYSA-N 447.736 7.681 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)o2)C2=C(C[C@H](c3cccs3)CC2=O)N1 8857449 RJURTOCYQLFIPM-FYSMJZIKSA-N 437.561 5.497 30 50 IKEA CCCCCCCCCCC[C@@H](C(=O)OCc1ccc(Cl)c(Cl)c1)[N+](C)(C)C 100690395 RHGVCOPZHLRSBG-QFIPXVFZSA-N 431.468 7.032 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1c(F)cccc1Cl 1130022 CCPSBZYGMFJUEL-LFVRLGFBSA-N 443.877 5.153 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1F 16731469 IVDPNZJDFYAFMR-DEOSSOPVSA-N 444.506 5.431 30 50 IKEA CCCCCCCCCCCCCC(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl 97976977 DZKDTGRLPNLYGZ-GOSISDBHSA-N 429.904 6.888 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 257348103 BKOGUJNRCSWUNA-QSWPNCQTSA-N 446.653 5.473 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@@H]3CC[C@@]12C 257348656 HVEXIRSOIACQFA-HRHCCUOVSA-N 430.677 7.378 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC 709948 HILUGRDIMXMNKP-PUAOIOHZSA-N 432.545 5.745 30 50 IKEA N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 2836760 BPRPTQKSKSACMC-UHFFFAOYSA-N 446.513 5.621 30 50 IKEA CN(C)c1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 5295155 CNAACLSLMFVRAX-XNTDXEJSSA-N 428.919 5.811 30 50 IKEA CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\CC(C)(C)[C@H]3C[C@H]2C3(C)C)c(C(C)C)c1 102319384 UKGNWRMAKUXORL-QXJBQQGKSA-N 446.701 6.783 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4cc(C)ccc4c3)n2)cc1OC 2325866648 UAGNFQRWLIVOAZ-HXUWFJFHSA-N 428.513 5.779 30 50 IKEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1107162 RFRLKHBOFUCJLI-SSOJOUAXSA-N 445.906 6.228 30 50 IKEA COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1434742 CAMUSSBJXLSYGW-HFJWLAOPSA-N 441.487 5.583 30 50 IKEA CCCCCCCCCCCC[Si]1(c2ccccc2)c2ccccc2-c2ccccc21 169818479 BPTARQLPBFORSY-UHFFFAOYSA-N 426.720 7.058 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 245239307 HNTMKSKJRZRWKS-AJKAXUQTSA-N 444.637 5.681 30 50 IKEA biogenic COc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1OCc1ccccc1 9013037 UGZXJZILJIUWDW-AFUMVMLFSA-N 434.496 5.217 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 18194228 MRRRBEAXPHDOCP-NRFANRHFSA-N 442.346 5.303 30 50 IKEA CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2[C@H](C)CCCC(C)C 257348678 HXUGNDVVHVLCAY-VXWAUESUSA-N 442.684 7.139 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 681729 SGENHWCBNUIGCF-XDBZFTIUSA-N 435.527 6.156 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccc(Br)cc1 1173373 BICWBKMWXBHNKD-HSZRJFAPSA-N 433.349 6.307 30 50 IKEA CCCCOc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 9030824 RWBUZTSQHYLNPR-XLNRJJMWSA-N 442.471 6.338 30 50 IKEA CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681686 JNAIMEWMJYVGEW-UHFFFAOYSA-N 448.116 6.406 30 50 IKEA in-vitro C[Si](C)(C)CCOCn1ccc2c(-c3cnn([C@H](CC#N)C4CCCC4)c3)ncnc21 197927812 QHQSWYIJDFMBNE-OAQYLSRUSA-N 436.636 5.252 30 50 IKEA N#Cc1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)sc2c1CCCCC2 2097895 JVAMOARCMIRHPO-UHFFFAOYSA-N 426.925 5.966 30 50 IKEA CCCCCCCCCCCCCCCCCC1=Nc2cc(C)c(C)cc2NC(=O)C1 100758598 MKJKUEHPZFTIMK-UHFFFAOYSA-N 426.689 8.980 30 50 IKEA C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)cc2)cc1OCC 2860844 DWIADNCTRTYKSW-UHFFFAOYSA-N 447.373 5.619 30 50 IKEA aggregator O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1 9272164 DKVHLNFWHOMDQL-GORDUTHDSA-N 440.710 5.374 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccccc1OCC(N)=O 684839 JHFCDXVXPJCLHW-SANMLTNESA-N 426.516 5.013 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 1129667 QMXFSNDVGFEAOF-IQGLISFBSA-N 449.522 5.656 30 50 IKEA C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 2983960 LXSMQPFOPBZPRT-LJQANCHMSA-N 436.621 5.966 30 50 IKEA N#Cc1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCCCC2 8455733 RCBYIXNRIYIGFB-UHFFFAOYSA-N 435.401 7.053 30 50 IKEA Cc1ccc(S(=O)(=O)N/N=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 19898272 VTIQQOLCKYSKJA-SGWCAAJKSA-N 440.568 5.294 30 50 IKEA Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)n1 706143 PGJDRBDQAMJEIZ-UHFFFAOYSA-N 434.468 5.135 30 50 IKEA O=C(C[C@H]1S/C(=N\N=C\C=C\c2ccccc2)N=C1O)Nc1ccc(Cl)c(Cl)c1 2957312 ZVFZCPZCPHBJJD-ZBLUTRFQSA-N 447.347 5.449 30 50 IKEA COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc(Br)cc3)[C@H]1CC2 12342759 WORYLAZEPKLIAL-AHGRHQQFSA-N 439.353 5.274 30 50 IKEA COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc(Br)cc3)[C@H]1CC2 12342760 WORYLAZEPKLIAL-YIGWSHRMSA-N 439.353 5.274 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1F 16731114 UTPRYMKBYHTWKB-HXUWFJFHSA-N 425.843 5.159 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccs1 18136978 BLCMSKCJGVKIDG-SANMLTNESA-N 442.584 6.134 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2Cl)o1 629415 LNGUJIJRGOTNDZ-QHCPKHFHSA-N 439.939 5.767 30 50 IKEA N#CCCc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 2807797 RFGFBZUTKMKETD-UHFFFAOYSA-N 442.466 5.349 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc(Br)ccc1O 2963208 PJXIQRBEKIUKFA-DEOSSOPVSA-N 448.360 6.617 30 50 IKEA O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)Oc2ccc(Cl)cc21 299738157 CJVGFLPKZPKSOT-ACAGNQJTSA-N 430.479 5.187 30 50 IKEA CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 1130361 KUGQVAHDEZEQDF-ACSYHNTCSA-N 448.591 7.024 30 50 IKEA CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 1421901 NWKGFKGZRJFJDX-OAHLLOKOSA-N 427.595 5.202 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 2874276 KISTUDHVAUUGKV-OAQYLSRUSA-N 448.935 6.233 30 50 IKEA CCN(CC)CCCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n12 4192482 UOFNYEGSJNPSFA-UHFFFAOYSA-N 425.580 5.402 30 50 IKEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1OC 9089009 PTGBUASYOOSAHH-JOCHJYFZSA-N 449.890 5.140 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 252695081 UOCUEIOMIAYZNI-MYRQUBGUSA-N 428.613 5.468 30 50 IKEA biogenic CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781242 CTKAJFWUYWTFMS-MZNJEOGPSA-N 449.572 5.301 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 4081455 MQYXUWHLBZFQQO-QGTGJCAVSA-N 426.729 8.025 30 50 IKEA biogenic,investigational CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F 36330844 QKJLDOBXDUVGEE-UHFFFAOYSA-N 430.583 7.558 30 50 IKEA investigational C=CCN1C(=O)[C@H](Cc2ccc(SC(F)F)cc2)S/C1=N/c1ccc(C(=O)O)cc1 61960887 HBKZEXDNNIEMKH-NPNYCVGBSA-N 448.516 5.060 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(NC(C)=O)c1 100856901 UBHLYSMPMVPWBL-UHFFFAOYSA-N 445.692 8.028 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CN)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 2060544153 VAQPCQKUNFHPAG-ROUWMTJPSA-N 441.744 6.964 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 1204581 OFFYFBDLLLMXKK-OPAMFIHVSA-N 425.887 5.014 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 2863302 KRRSHIUPMXZQPP-UHFFFAOYSA-N 432.471 5.189 30 50 IKEA Cc1cccc(C)c1OP(=O)(N/N=C1/C(=O)Nc2ccccc21)Oc1c(C)cccc1C 8826590 VHIOQTYZGOWZMZ-UHFFFAOYSA-N 449.447 5.432 30 50 IKEA CN(/N=C\c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 32496239 OIXXOTGEBALDMB-ONUIUJJFSA-N 443.348 6.043 30 50 IKEA CCCCCCCCCCc1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1 100853756 UEJTXEVXJGCQGD-UHFFFAOYSA-N 442.599 8.228 30 50 IKEA N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1 238882227 CUSNQPJPCUMNGJ-MZKRTTBSSA-N 434.490 5.345 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1123522 BHOVGMRNGZGRNQ-SIBVEZHUSA-N 425.488 5.883 30 50 IKEA O=C1C=CC(=CC=c2ccc(=C3C=C(c4ccccc4)C=C(c4ccccc4)O3)cc2)C=C1 409415890 GRCMPWDXDVUTIZ-UHFFFAOYSA-N 426.515 5.352 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2Cl)o1 629407 PEGPZEMWPWLVTF-QFIPXVFZSA-N 425.912 5.377 30 50 IKEA CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)s1 883356 PZWAYNKZLXUSCB-QLXKLKPCSA-N 430.573 6.299 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 1107178 KVBFJHWUHYHGJR-NSYGIPOTSA-N 445.906 6.228 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1202517 JEBIZTUAMZAJHH-LVXARBLLSA-N 427.544 5.534 30 50 IKEA CCCCCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 97950515 GRJXUKQRXKLANL-UHFFFAOYSA-N 449.020 5.120 30 50 IKEA CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 100959287 FJNMRFSIFOTQDI-SIHNDCSESA-N 443.528 5.054 30 50 IKEA COc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccc(C(C)(C)C)cc1 239030688 CGUCMZYRDIPULM-UHFFFAOYSA-N 445.386 5.185 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1202581 VAHSKKMELNMDEV-UQBPGWFLSA-N 433.523 5.387 30 50 IKEA Cc1ccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1 2067287 YNZGDDLQVZDYAZ-GOSISDBHSA-N 442.799 5.345 30 50 IKEA CCc1c(C)sc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1C#N 9130397 FHPOTEJYQQSYNE-HOCLYGCPSA-N 449.458 5.193 30 50 IKEA S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccc(Br)cc1 16712454 ANBZIGSYPDFZCU-GIJQJNRQSA-N 438.148 5.015 30 50 IKEA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 17097326 MCSNZOBIVIMKIB-LSDHHAIUSA-N 431.001 6.139 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257349387 NTPNMXXOGUTKLZ-IKRZUZTLSA-N 431.661 6.932 30 50 IKEA CC(=NO[C@@H](C)C(=O)O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1775953674 AUDWNMRFKHRDOK-JTQLQIEISA-N 446.765 5.273 30 50 IKEA CCn1c2ccccc2c2cc(/C=N/n3c(S)nnc3COc3ccccc3)ccc21 2345697 FQKLSOJVGOPLTE-MFKUBSTISA-N 427.533 5.156 30 50 IKEA N#Cc1c(N)nc2c(c1-c1ccc(COc3ccccc3Br)o1)CCCCC2 20601947 ZHQAVASWPBAYSX-UHFFFAOYSA-N 438.325 5.406 30 50 IKEA C1=C(Cc2ccccc2)[C@@H](c2ccccc2)SC(c2ccccc2)=C1/C=N/c1ccccc1 101670023 YNKQRWKIVXESQW-VZAHMOCCSA-N 443.615 8.457 30 50 IKEA CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253498264 AHBKIEXBQNRDNL-BALJLQBRSA-N 448.603 5.744 30 50 IKEA COc1ccc(/C=C2/C[C@@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 1875390522 RZZSYQOCHYTRMK-HFHRBZNJSA-N 448.603 6.152 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 752193 ZCUGSWXAZIKTEJ-QHCPKHFHSA-N 435.951 5.687 30 50 IKEA CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 805507 BFLSOFSVIURLKS-PIIWDFAUSA-N 440.543 6.073 30 50 IKEA Cc1c(C(=O)OC(C)C)sc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C#N 1200325 NYMRXCRLUJKZNQ-UHFFFAOYSA-N 432.501 5.370 30 50 IKEA C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 2997580 XZZQAAPHFLQVLN-UHFFFAOYSA-N 448.559 5.498 30 50 IKEA O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1cccs1 3622584 LYIAJHNBAJIGRX-RUZDIDTESA-N 436.536 6.085 30 50 IKEA O=C(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95671129 HLBRGVKRZQSQHB-UHFFFAOYSA-N 442.118 5.225 30 50 IKEA Cc1cc(C)c(/C(O)=N/[C@@H]2CC(C)(C)Oc3ccc(N=C(O)OC(C)(C)C)cc32)c(O)n1 328594218 ZMGRJTCZQJJSNY-QGZVFWFLSA-N 441.528 5.372 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 9110963 RRJSWOPLLUZWEN-NRFANRHFSA-N 437.854 5.271 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 49878068 AIIVCXFBTONHDU-UHFFFAOYSA-N 426.689 8.088 30 50 IKEA endogenous,in-man O=C1CCCC(O)=C1[C@@H](Sc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 101082256 UXFUODISDMCESE-WOQBMBJYSA-N 438.592 7.010 30 50 IKEA O=c1[nH]c2ccc(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2[nH]1 1192739 USCXXYXHONJYON-KBKYJPHKSA-N 435.314 5.917 30 50 IKEA C=CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 2060626 XBFDZKBQUQMFFI-IBGZPJMESA-N 436.621 5.686 30 50 IKEA biogenic Cc1ccccc1/N=C1\c2ccccc2C2=NC(=O)N[C@](c3ccccc3)(C(F)(F)F)N21 136846835 QGYNENHHFQBMHD-YSPSMDFVSA-N 434.421 5.274 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 2755403 GXWXXHPJFWRBGO-RUZDIDTESA-N 447.600 5.618 30 50 IKEA C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccsc2)CC1 14988905 SAKPQJMFPITOTP-UHFFFAOYSA-N 445.057 5.851 30 50 IKEA N#Cc1c(NC(=O)c2ccccc2Cl)n(CC2CCCCC2)c2nc3ccccc3nc12 1776005491 JWIJOCQEHKHJLU-UHFFFAOYSA-N 443.938 5.942 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781301 CYRJXPPPAOQGQD-SBUREZEXSA-N 439.552 5.448 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(C)c(C)c3)c2)SC1=S 2874181 BJMQMZYWWDNGNY-CJLVFECKSA-N 439.602 5.539 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2cccc(OC)c2)C1=O 2910945 NJQDWCYGUVJUHM-RCCKNPSSSA-N 431.513 5.392 30 50 IKEA NC(=S)N/N=C/C1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1 2981296 SHIMQAFXPKRXRL-USMPFQSLSA-N 441.625 5.874 30 50 IKEA O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(C(F)(F)F)C(F)(F)F 3618403 PSYIUHNJCRERPB-UHFFFAOYSA-N 426.244 5.206 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O 13568557 BNQZVNDPPTXWIL-WGDIFIGCSA-N 446.934 6.034 30 50 IKEA CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC 59479204 MIMDHDXOBDPUQW-UHFFFAOYSA-N 426.682 7.915 30 50 IKEA in-vitro CCCCCCCCCCCCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094920 PWZJXSPDNGIODC-GOTSBHOMSA-O 444.677 5.311 30 50 IKEA in-vitro COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1 217826468 AEHDUFYLQRGKTI-CWGWECIMSA-N 444.508 5.474 30 50 IKEA biogenic O=[P@](O)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 9183438 ZUJLZYZTJCSSET-CYBMUJFWSA-N 432.228 5.757 30 50 IKEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)c1 9559870 VBOMNYVAOUBMGG-BLLLJJGKSA-N 446.330 5.015 30 50 IKEA CC(C)(O)C#Cc1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1 20999284 ZHFAJQYSASOATN-MUUNZHRXSA-N 436.555 5.144 30 50 IKEA Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1C 109341088 IDOLUSWFEQDZEN-JVWAILMASA-N 433.621 6.240 30 50 IKEA Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)o1 864951 DRRRJIXDFCOCNZ-VWLOTQADSA-N 426.516 6.041 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2 2878667 STQIVYWQTIKGBM-HSZRJFAPSA-N 440.528 6.112 30 50 IKEA O=C(/C=C/c1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1 13954989 IPWLHYSXJOKDFW-ISLYRVAYSA-N 446.506 6.087 30 50 IKEA CCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl 97950717 PXWLNWWENDKUQZ-MRXNPFEDSA-N 438.852 5.454 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 100821518 DNYSZZKSMTVIKE-UHFFFAOYSA-N 442.622 6.102 30 50 IKEA C/C(=N\Nc1nc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(F)cc1 12343289 QRBVEFPVPBHQHD-MZJWZYIUSA-N 435.300 6.035 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 18137676 FCTUPJZLWWGATE-DCFHFQCYSA-N 426.491 5.746 30 50 IKEA CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 8743731 LDHOXZFJHVNDOU-FQEVSTJZSA-N 446.553 5.703 30 50 IKEA CC(C)CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 16361192 PJJAFTPIZNPITC-QGZVFWFLSA-N 429.973 5.126 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 118916410 NDZYXAXWOZOQAQ-WJCOPJAOSA-N 434.624 5.884 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC[C@@H]1COc2ccccc2O1 851159 PEQIIJIMSHPZBD-HNNXBMFYSA-N 428.435 5.571 30 50 IKEA CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 1175865 APSGUMSFHBDRAD-UHFFFAOYSA-N 443.971 5.418 30 50 IKEA Cc1cccc(/N=C2\S/C(=C3\C(=O)Nc4ccccc43)C(=O)N2c2cccc(C)c2)c1 1750607 SQTBLSXUCCSCNY-LWTODMHQSA-N 425.513 5.434 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 8413277 VVJIIMFCLMYORP-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 8414959 BDFRDFCFDWYBNM-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 8995346 DNXSRZULBGSFSP-ZTOMLWHTSA-N 437.587 6.512 30 50 IKEA C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1cccc(OC)c1)C2 14951061 OFAPLSAELWNXHD-UHFFFAOYSA-N 447.556 5.169 30 50 IKEA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 17097324 MCSNZOBIVIMKIB-GJZGRUSLSA-N 431.001 6.139 30 50 IKEA CCCCCCCCCCCCCCCCN(C(=S)c1ccccc1)c1ccccc1 100970362 NBMBZISJYCYPKZ-UHFFFAOYSA-N 437.737 9.350 30 50 IKEA C[C@@H](CCC#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 240321613 FARUJJLVHFTRHP-HNNXBMFYSA-N 437.619 5.954 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(Br)s1 253618270 MPJRONGLSGYPDW-UHFFFAOYSA-N 434.171 5.247 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1184785 XXKWQIVCAMYFML-GAJHUEQPSA-N 439.552 5.448 30 50 IKEA N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccc(Br)c2)n1 3372190 MMPWRTTZBDZGPZ-UHFFFAOYSA-N 429.705 5.132 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)cc1 8995745 XXOXHKPAFDFNLX-ZTOMLWHTSA-N 436.555 6.306 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(CC)cc2)SC1=S 22257614 WHMRFFPXUOOYLI-OQKWZONESA-N 439.602 5.484 30 50 IKEA O=C1CCCC2=C1C(c1cccc(OCc3cccc(Cl)c3)c1)C1=C(CCCC1=O)N2 627358 PCROZHCHPDJYDK-UHFFFAOYSA-N 433.935 5.620 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 970922 CSZDKWFUAMZIAD-SSOJOUAXSA-N 434.461 6.685 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Br)cc1)Nc1ccccc1N2 1082744 UXDRVWWJZZMUSG-CJAUYULYSA-N 445.360 6.429 30 50 IKEA COc1ccc(C(=O)/C(=N/Nc2ccccc2C(F)(F)F)c2nc3ccccc3[nH]2)cc1 1875358089 IWZFZWUQAVVXTP-COEJQBHMSA-N 438.409 5.289 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4ccccc4c3C)n2)cc1OC 2325866416 KFRCHHDFLXQXEC-FQEVSTJZSA-N 428.513 5.779 30 50 IKEA COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 9046709 ZOUWHWFPLPEONG-JOCHJYFZSA-N 449.890 5.140 30 50 IKEA O=C1C(=C/C=C\C=c2/c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 1875271912 RRHDPPACGPNJNB-AJLMOAOGSA-N 439.514 5.904 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 781129 COCBLBSQRYDPIB-CLYVBNDRSA-N 426.516 5.683 30 50 IKEA CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F 2792483 BDKOMLFURYDYAF-AWEZNQCLSA-N 448.535 6.023 30 50 IKEA C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)CC1 22023242 NRLHFCLKMFBIIK-DCFHFQCYSA-N 438.011 6.607 30 50 IKEA Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] 861115 MBGAFOVYUZEWKC-SIBVEZHUSA-N 425.488 5.883 30 50 IKEA CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)c1 2108643 BNXWLICBLHZQHT-UHFFFAOYSA-N 436.027 5.391 30 50 IKEA O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218078855 BXNOBDTXRLWMJR-ASTMVQESSA-N 438.266 5.446 30 50 IKEA biogenic c1ccc(/C(=N/c2sc(-c3ccccc3)nc2-c2ccccc2)N2CCOCC2)cc1 2050024842 CSGICMHQUZKNSH-COOPMVRXSA-N 425.557 5.888 30 50 IKEA CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 8432105 AJHDJVAAGJGEJD-HHHXNRCGSA-N 446.591 6.419 30 50 IKEA C(=C/c1ccccc1)\C=N\c1ccc(Cc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 13464376 VEPYLJPVFMGBKU-GVRZZCCUSA-N 426.563 8.109 30 50 IKEA C=CCCCC(CCCC=C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40186602 AXHUVDDCLKLLFC-UHFFFAOYSA-N 433.548 6.061 30 50 IKEA in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257348901 JVBJMRIVVNLPKI-HZGIUJRKSA-N 433.677 6.024 30 50 IKEA Fc1ccc(-c2nc(-c3ccccc3)c(/N=C(/c3ccccc3)N3CCOCC3)s2)cc1 2050025104 TWSWNMOVSBZTMG-OLFWJLLRSA-N 443.547 6.027 30 50 IKEA COc1ccc(Br)cc1/C=C1\S/C(=N/c2cccc(Cl)c2C)NC1=O 16267655 RZJJOTLNKDOYAX-SXGWCWSVSA-N 437.746 5.311 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 16293759 NYOLGTHMWYXCMV-AVRWGWEMSA-N 449.522 5.149 30 50 IKEA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 19762471 ZWMDYDWSLZDAAN-NBGIEHNGSA-N 431.532 5.008 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4c(O)ccc5ccccc45)c3c2C1 19893678 RJALSQWHMDZHMB-UDRPCTDCSA-N 444.604 6.537 30 50 IKEA COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 824637259 VIRQWYGGWLVQLB-JWMLTMDESA-N 430.529 5.508 30 50 IKEA CCOc1ccc(Br)c(/C=C2\N=C(SCc3ccccc3)SC2=O)c1 2823499 MLKALOKQZRDVPS-BOPFTXTBSA-N 434.380 5.752 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc3ccccc23)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895320 SDLIEYULIJAVBE-KKUQBAQOSA-N 431.539 5.982 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCN1CCCCC1 2080806770 LDRSZLORBJFCJZ-RIJSWXIHSA-N 427.629 5.306 30 50 IKEA CC/C(C[C@H](c1ccccc1)c1c(O)c2ccccc2sc1=O)=N\Nc1ccccc1 16102017 HJAICFUYAHCUIH-DPRDIOBOSA-N 428.557 6.367 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1OCC 19645416 PXIRWKZGOHHEMV-UHFFFAOYSA-N 446.935 5.053 30 50 IKEA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 19762481 ZWMDYDWSLZDAAN-NLFFAJNJSA-N 431.532 5.008 30 50 IKEA CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 252628824 SYSLHZGKUNLUIS-ARSUIZBYSA-N 442.968 5.522 30 50 IKEA CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)OC1(C)C 1857791635 MTZBOGWFUZPVDA-UHFFFAOYSA-N 432.372 6.987 30 50 IKEA C=CC1(Cc2nc(-c3ccc(N4CCCC4)cn3)nn2[C@@H](C)C(F)(F)F)CCCCC1 1875348056 HDRJHAMGIWZNNR-KRWDZBQOSA-N 433.522 5.743 30 50 IKEA C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 986179 PXSCLSQDJPNZKS-GOSISDBHSA-N 426.607 5.521 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 1199306 MMIJTDNGKZNQHE-XHCCPWGMSA-N 442.946 6.261 30 50 IKEA COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 15800146 WTLMGGXNHSLHJD-OVCLIPMQSA-N 436.305 5.606 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 103001412 UIRXWMAIRZKKKW-UHFFFAOYSA-N 430.633 7.745 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 257350204 VOPZSPZAIPUPAF-NLIWDHKGSA-N 444.637 5.681 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1OC 883259 NOHJYOJEXDRYDO-CLYVBNDRSA-N 442.515 5.389 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 1183786 ZTEHWVZATXHWEJ-OYHNWAKOSA-N 441.980 5.715 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 2868526 AHKWGLVSLPVSDA-RUZDIDTESA-N 437.580 5.708 30 50 IKEA O=C1/C(=C/c2ccc(Cl)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(Cl)cc1 20115393 OSUWILFLOHLUFU-HOFJZWJUSA-N 434.366 6.545 30 50 IKEA CCCCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 95670890 KLFQIPUMZRQHOB-MRCUWXFGSA-N 436.602 5.780 30 50 IKEA CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCN=[N+]=[N-] 1501017454 ZXFVIEGVAJLSBT-PGHYDBKUSA-N 438.657 5.952 30 50 IKEA COc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 828729 PZAYJGYNCHIXMY-DEOSSOPVSA-N 434.333 6.284 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1467860 KGWJKHNQEUXZHS-WXTAPIANSA-N 441.487 5.583 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCN1CCCCC1 253531153 LDRSZLORBJFCJZ-YQYFVZSGSA-N 427.629 5.306 30 50 IKEA biogenic OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1 1546302 QSUSKMBNZQHHPA-UHFFFAOYSA-N 425.507 5.118 30 50 IKEA in-man CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(F)cc1 2123442 FLYDMYKOYVKCLC-UHFFFAOYSA-N 436.866 5.919 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4c(Cl)cccc4Cl)c3c2C1 12561336 ZMUWKRLESJFUPP-OZHCYYCFSA-N 447.435 6.985 30 50 IKEA C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(=O)/C=C/c5ccccc5)[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 238759091 BJQOPHXIKHSJOP-OLJRGKMISA-N 448.603 6.275 30 50 IKEA biogenic CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc(C(F)(F)F)c1 1132837 OAGBZAFLRCGTBD-BTYIYWSLSA-N 445.437 5.223 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1183784 ZTEHWVZATXHWEJ-IVZQSRNASA-N 441.980 5.715 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2 2878668 STQIVYWQTIKGBM-QHCPKHFHSA-N 440.528 6.112 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccnc1 18121951 VRJMRNQSILBZHL-MHZLTWQESA-N 437.543 5.467 30 50 IKEA biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccc1F 649723 KGDSYAUFSTYSMI-AREMUKBSSA-N 440.518 6.283 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 1175589 PHUCGVPECAHFDE-NRFANRHFSA-N 428.866 5.225 30 50 IKEA CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1 8435116 ZVAWYBZJGZAZBX-CSKARUKUSA-N 431.388 6.266 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 909356 XEWNTSPCWZVDPT-OAQYLSRUSA-N 433.470 5.549 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 1129676 QMXFSNDVGFEAOF-AVRWGWEMSA-N 449.522 5.656 30 50 IKEA Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C(C)(C)C)C3)cnn1C 2792862 UPQWKMYKYNVFAW-WGFYCLKKSA-N 440.657 5.754 30 50 IKEA Cc1c(Cc2ccc(Cl)cc2)c(NCCCN(C)C)n2c(nc3ccccc32)c1C#N 9235380 FMYURCXOLGGIQA-UHFFFAOYSA-N 431.971 5.275 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1 16426534 WXNCEAQGONUWPI-CRYYWNKWSA-N 444.506 5.822 30 50 IKEA N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1 238882228 CUSNQPJPCUMNGJ-TXTKFYIRSA-N 434.490 5.345 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1c(F)cccc1Cl 1130013 CCPSBZYGMFJUEL-FATZIPQQSA-N 443.877 5.153 30 50 IKEA C=CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 2060627 XBFDZKBQUQMFFI-LJQANCHMSA-N 436.621 5.686 30 50 IKEA biogenic COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)c1 2865516 XKSLESOXXWKMRE-UHFFFAOYSA-N 432.936 5.760 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C12CC3CC(CC(C3)C1)C2 12379133 MLTONZZBNYIBJT-UHFFFAOYSA-N 443.016 5.316 30 50 IKEA CCCCCCCCCCCCC/C(=N\O)c1ccc(OCc2ccccc2)cc1O 100166799 SIUUUJMMOFDKFF-BYCLXTJYSA-N 425.613 7.851 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@H]43)C2)cc1 257355592 BMEDGGDZYCTQMO-MPPHQWQQSA-N 442.621 5.601 30 50 IKEA O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cc(=O)c3ccccc3o1)Nc1ccccc1N2 711586 KBXAJVANAVAWLX-QWXGXRTQSA-N 440.524 5.834 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1Br)Nc1ccccc1-2 3000500 ZEVNDSJYXKRMDC-KRWDZBQOSA-N 427.327 5.082 30 50 IKEA CCCc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 53517176 FCEFWHRASFUUNO-XYOKQWHBSA-N 435.575 5.147 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O 60258620 KHICUSAUSRBPJT-NHCUHLMSSA-N 428.610 6.196 30 50 IKEA biogenic CCOc1ccc(N=C(C)C=C2SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 1857666601 SWONQMMWZNRXGB-SANMLTNESA-N 430.573 6.118 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 1107176 KVBFJHWUHYHGJR-CRICUBBOSA-N 445.906 6.228 30 50 IKEA COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)c(OC)c1 1199931 NQFQDINBXUGQLG-UHFFFAOYSA-N 443.528 5.721 30 50 IKEA CC(C)(C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)cc1 2977024 DIDRWKWNKRMPHQ-RPPGKUMJSA-N 433.339 5.222 30 50 IKEA O=C(C[C@@H]1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1cccc(Cl)c1Cl 15746745 KPDRXVKNWQNJLV-HNNXBMFYSA-N 441.384 5.010 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 19314561 SWWVFYHSSOWZMF-JOCHJYFZSA-N 438.524 5.075 30 50 IKEA in-vitro S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1c(Cl)cccc1Cl 19861035 KXNUKECSZCNREF-UFWORHAWSA-N 428.142 5.559 30 50 IKEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 9993299 CZOXHFHTSMQAGM-NRFANRHFSA-N 442.496 5.088 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 18055282 GCNGHUCAMXSTCS-OAQYLSRUSA-N 441.453 5.015 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccc(F)c1 18105948 SCWZXRJKQSEGEU-AREMUKBSSA-N 440.518 6.283 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4c(F)cccc4Cl)c3c2C1 19924560 PFEWZTWVQXTLCZ-VHAYKOJPSA-N 430.980 6.471 30 50 IKEA COc1cc(Br)cc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O 225387394 XSEMWQGHMGJWOD-WYMPLXKRSA-N 437.293 6.031 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1c2ccccc2cc2ccccc12 239165247 NTOXDXURZCUULB-UHFFFAOYSA-N 449.366 6.729 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C 254611908 HAHDDRPLUQXNKO-MRKMJYKLSA-N 442.596 5.186 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1OC 812847 WDIGNQZYAIJBOV-MYUZEXMDSA-N 444.506 5.822 30 50 IKEA CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(Oc3ncccc3C#N)cc12 1227219 NOUMSOVEYWUNPF-UHFFFAOYSA-N 427.460 5.183 30 50 IKEA C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(/C)c1ccc(F)cc1 6142421 QEDZPCJTDQBXSY-MCIWXRNGSA-N 449.473 5.297 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1 217826540 AEHDUFYLQRGKTI-ZWAQGKOVSA-N 444.508 5.474 30 50 IKEA biogenic CCOC(=O)N1C=C[C@H]2C=C[C@H]1[C@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 254296177 ZLEIAUDTJAGXJQ-LXEIEBNOSA-N 425.528 5.528 30 50 IKEA COCCCn1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1ccc(SC(C)C)cc1 328603295 FKVXATOOJCGDPE-XJABCFGWSA-N 431.602 5.215 30 50 IKEA COc1ccc(-c2oc3ccc4c(c3c2CC(=O)O)O/C(=C\c2ccccc2)C4=O)cc1 1848443217 ZIJNZIQKAQVGCO-BKUYFWCQSA-N 426.424 5.352 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 720844 HDMIDZMGSQUFQA-SLQAJWMNSA-N 446.506 6.031 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1070611 VPXIKURZVDVKSA-OPAMFIHVSA-N 441.980 5.715 30 50 IKEA O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 9559933 JUEYCOQFLNHMEV-XXBNENTESA-N 427.475 5.622 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 12343723 AQTGFZYVSHVTSY-VCHYOVAHSA-N 436.385 5.960 30 50 IKEA CCOc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1-n1nc2ccccc2n1 12412254 QHHVKIMWPPSMSJ-UHFFFAOYSA-N 441.560 5.257 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 257347668 PMBSWZWCNKVWLV-CJVNXMJMSA-N 442.684 7.139 30 50 IKEA COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 1740142 YIIGEADLQIYKRE-OVVQPSECSA-N 435.955 5.084 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccnc2)cc1 4035917 CQFWKIXFDAHDJB-RBISFHTESA-N 449.554 5.701 30 50 IKEA CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(C)C)cc2)cc1 4531977 DXDBHQOJAIQTGZ-UHFFFAOYSA-N 428.644 6.020 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO 6920386 REZQBEBOWJAQKS-UHFFFAOYSA-N 438.825 10.921 30 50 IKEA endogenous,in-vitro CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 22135312 PIXIVVCSXXSSGG-HXUWFJFHSA-N 436.895 5.408 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1183824 DWULHNLCQUHIJD-QRQCRPRQSA-N 427.591 5.370 30 50 IKEA CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 8740838 KESLFXKGVCKTDC-GOSISDBHSA-N 436.514 5.296 30 50 IKEA aggregator COc1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 19773280 YUNJZIFDIAEVQS-MTDXEUNCSA-N 449.982 5.079 30 50 IKEA CCCCCCCCCC[C@@H](C(=O)OCCC)[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 97950629 MAOHBPQBENRTJV-QHCPKHFHSA-N 445.495 7.422 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 5091641 QGINGTOFZBVZKJ-RUZDIDTESA-N 431.580 5.552 30 50 IKEA O=C(Nc1sc2c(c1/C=N/Nc1ccc3ccccc3c1)CCCC2)c1ccccc1 8399951 LCAYHXHPNCUWRB-WPWMEQJKSA-N 425.557 6.478 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/c4c(C)[nH]c5ccccc45)c3c2C1 8970236 HFPUONVHCJBZDV-GOQVHDTASA-N 431.609 6.468 30 50 IKEA CCOC(=O)c1ccccc1-c1csc(N/C=N/OCc2c(F)cccc2Cl)n1 13394566 XFIWPJDXLVKCKO-UHFFFAOYSA-N 433.892 5.351 30 50 IKEA COc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 1740075 RAODBYKFQKPPRJ-OVVQPSECSA-N 435.955 5.084 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 2788650 ZYTGHOYEGAMYNS-QHCPKHFHSA-N 425.544 5.696 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 2980599 PGWTUMPYMHBWLY-WQRHYEAKSA-N 436.385 5.960 30 50 IKEA N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 3991118 MEEJEEVTIVAOJP-UHFFFAOYSA-N 445.006 5.913 30 50 IKEA in-vitro COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)c1 4075113 CFAAYVLWXFPNFY-CLYVBNDRSA-N 440.499 5.403 30 50 IKEA N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1 9226940 MDBQULVXILALOA-OAQYLSRUSA-N 447.494 5.477 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc([N+](=O)[O-])cc4)c3c2C1 12465179 UNCNVXBRFJEQID-HEOQCTJZSA-N 437.569 5.977 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCCCC)cc3)o2)SC1=S 2989367 OLCIRABIBFEORJ-XMHGGMMESA-N 427.547 5.291 30 50 IKEA C=CCn1c(/C=C(/OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21 3876746 DMVWZXPNMCKVFE-XQNSMLJCSA-N 449.337 6.884 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC 720129 SUQRXGNRUNKAAR-MYYSRTQBSA-N 432.545 5.745 30 50 IKEA COc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 1430892 YHTBTTRBHANPDE-GOSISDBHSA-N 432.545 5.035 30 50 IKEA CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 2062809 VFZFEZDJLCJXCM-UHFFFAOYSA-N 434.319 5.921 30 50 IKEA CCc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 8742243 UAMHNFUXDDMCPH-WNCULLNHSA-N 443.587 5.810 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 9370625 RVFGCCQXPBNYMV-OAQYLSRUSA-N 448.316 5.228 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253502205 MQYXUWHLBZFQQO-XKKTZVRPSA-N 426.729 8.025 30 50 IKEA C=CCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 1889305 HPVSQFHBJZHINM-UHFFFAOYSA-N 432.998 5.441 30 50 IKEA CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 8997145 DNXSRZULBGSFSP-KPURRNSFSA-N 437.587 6.512 30 50 IKEA FC(F)(F)/C(=N\C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)Nc1ccccc1 22553836 RGAIDNFDXHXWBL-UHFFFAOYSA-N 425.621 5.555 30 50 IKEA CCCOC(=O)c1ccc(-c2ccc(C=NN(Cc3ccccc3)c3ccccc3)o2)cc1 239165290 NVJLEJJBTQOHOE-UHFFFAOYSA-N 438.527 6.554 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 649740 CUAQGFKCHYSLKC-JOCHJYFZSA-N 439.353 5.612 30 50 IKEA O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(Br)cc1)c1ccccc1 1191439 GDSCIDHNTHTSNE-OAQYLSRUSA-N 449.373 5.262 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1202710 BRXDEBWFHMZQRS-FQRUVTKNSA-N 445.534 5.673 30 50 IKEA CCCCCCCCCCCCCC(=O)N[C@@H](Nn1cnnc1)C(Cl)(Cl)Cl 97950949 NHYATYLVGJSZJG-KRWDZBQOSA-N 440.847 5.335 30 50 IKEA CCN1C(=O)/C(=C/c2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)SC1=S 2829584 ZJSPWCKAOBIAGW-QNGOZBTKSA-N 444.585 5.352 30 50 IKEA Cc1ccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C23CCCC3)c(Br)c1 6430832 XDDAWRTXHOUPOT-UHFFFAOYSA-N 442.426 6.112 30 50 IKEA COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)c2C#N)cc1OC 1056046 BHJNTZZZIVZZEH-UHFFFAOYSA-N 430.888 5.278 30 50 IKEA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)c2C#N)C1 1115336 PXOBTKJKMKNXGA-GFCCVEGCSA-N 441.350 6.019 30 50 IKEA CC(=O)C1=C(OB(F)F)C=C(/C=C\c2cccc(Cl)c2)C[C@H]1c1ccc(Cl)cc1 169805575 KVTGWTNRUPEWOV-PRPIBZDOSA-N 433.090 6.904 30 50 IKEA CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 254302376 HTZDJVPKUOXQMG-HYZZZALXSA-N 442.684 7.139 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccccc1Br 1440481 JAYHHPYWRXRBIJ-QHCPKHFHSA-N 433.349 6.307 30 50 IKEA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N1 8439455 FVDDBMFLRLHQSM-RUZDIDTESA-N 445.559 5.221 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 681878 UNQYSMUMZWEZGU-DWXRJYCRSA-N 441.487 5.583 30 50 IKEA C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 2842043 MQCUGHOMRDCERI-OAQYLSRUSA-N 444.512 5.181 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 4078005 NNEXSNHINRWDGU-LMKMVOKYSA-N 435.354 6.973 30 50 IKEA C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1)c1ccccc1 12343319 PFJZJDFZFFGGRA-OGLMXYFKSA-N 443.348 6.409 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 100307152 QOIJAZYHGUNKLA-UHFFFAOYSA-N 442.640 8.268 30 50 IKEA CCCC[Sn](/C=C/B1OC(C)(C)C(C)(C)O1)(CCCC)CCCC 169804565 OJWLNLSWGUMFGA-UHFFFAOYSA-N 443.069 6.562 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1OC 2325716798 UJGVRJRKCFCAHE-SFHVURJKSA-N 436.533 5.449 30 50 IKEA COc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 25560163 GHFCEEZOKDZOCK-AFUMVMLFSA-N 429.501 5.720 30 50 IKEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)cc2Cl)C(=O)C1 100006829 DQTUPAIZFSEFNI-LJQANCHMSA-N 437.363 5.853 30 50 IKEA COc1cc(C=NN2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 238937452 VNDRUXQCBKDZQX-UHFFFAOYSA-N 449.982 5.079 30 50 IKEA Oc1ccc(Br)cc1C=Nc1c(-c2ccc3ccccc3c2)nc2ccccn12 245328187 SZIVGTACOXHNSB-UHFFFAOYSA-N 442.316 6.373 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2cccc(Cl)c2)o1 629456 MIPQXBIRHIEEEJ-QFIPXVFZSA-N 425.912 5.377 30 50 IKEA C=CCn1c(SCC(=O)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCCC3 678341 TUDRXMCSWKCLAT-UHFFFAOYSA-N 436.558 5.244 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Br)cc1 2347186 GLANPKJYUZDVGV-UFWORHAWSA-N 428.142 5.185 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 19537723 IQQGVXGHPFVZJJ-UHFFFAOYSA-N 428.370 5.422 30 50 IKEA CCCCCCCCCC[C@H](C(=O)OCC)[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 97950617 OZXFUFUXAWDUQK-JOCHJYFZSA-N 431.468 7.032 30 50 IKEA O=C1ON=C(c2ccccc2)/C1=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 100288109 CGCGMPNYGSGUBN-MRCUWXFGSA-N 449.293 5.255 30 50 IKEA COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C1=O)cn2C 263584853 BOVLCVNHEUDVOJ-ISXXMWLLSA-N 431.488 5.242 30 50 IKEA biogenic N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H]1COc2ccccc2O1 8443629 PEYVOJFCBCGDDW-OAQYLSRUSA-N 436.536 6.219 30 50 IKEA C/C(=N/OCO/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 12343338 DRLWCKIVZCIKCQ-AYRZQKSOSA-N 440.135 5.351 30 50 IKEA CCCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 15016480 ZWLSZZMDIAAWDV-ATVHPVEESA-N 448.407 6.142 30 50 IKEA CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C 38139357 ZBNJXSZNWZUYCI-UHFFFAOYSA-O 436.638 7.088 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 628599 YHWWFAYHZHMFBP-QHCPKHFHSA-N 439.939 5.767 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC 709949 HILUGRDIMXMNKP-LMKMVOKYSA-N 432.545 5.745 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccccc1Br 1440480 JAYHHPYWRXRBIJ-HSZRJFAPSA-N 433.349 6.307 30 50 IKEA C#CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 1906490 CBMWTJIYKQXKJH-UHFFFAOYSA-N 426.585 5.691 30 50 IKEA biogenic CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br 2757460 OSFRPGYLCHUTNC-LJQANCHMSA-N 432.358 5.006 30 50 IKEA N#CCc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1 20617704 VTTXHWMWCLRGCP-UHFFFAOYSA-N 426.423 5.424 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cccc1CC 100856274 DJBNSRQICRBJIA-UHFFFAOYSA-N 430.721 8.940 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 253614947 MQYXUWHLBZFQQO-RDHHTWSDSA-N 426.729 8.025 30 50 IKEA in-vitro N#Cc1c(NC(=O)c2ccccc2Cl)n(Cc2ccccc2)c2nc3ccccc3nc12 636443 GKOLASTZGRTADS-UHFFFAOYSA-N 437.890 5.410 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 2462437 XEXSXBVLADCZJZ-RXFWQSSRSA-N 443.543 5.240 30 50 IKEA Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 9435171 KUGGIIYEUXJTCI-MHZLTWQESA-N 436.555 6.448 30 50 IKEA O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100437170 GPOYDCYYMULJQP-MKRFAJQFSA-N 428.513 5.088 30 50 IKEA CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)OCC)S(=O)(=O)O 101016537 CPDMSWQWHGXJBW-HSZRJFAPSA-N 448.710 7.238 30 50 IKEA CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4cccc5ccccc45)CC3)ccc21 19849125 FEHGYSRKLNBPIC-NJZRLIGZSA-N 446.598 6.119 30 50 IKEA CC[C@@H](C)Oc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O 673078 PNXJNSIYRDXNJQ-QUGAMOGWSA-N 432.564 6.027 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)N(C(=O)C1CC1)c1ccccc1N2 4035912 MIWCWTRTLAOELW-ZBLYBZFDSA-N 435.527 5.392 30 50 IKEA CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 101018247 YKPMXKYURKPASW-UHFFFAOYSA-N 446.053 7.503 30 50 IKEA Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@]2(C)C(=O)c2ccc(Cl)cc2)c1 245255477 IPHQYXBFPOIGLR-DFCKQENNSA-N 428.919 5.784 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 2069367 CDOAWUQVYHTJJX-QFIPXVFZSA-N 427.972 5.820 30 50 IKEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1 9559994 DQMUKBLCFGBICH-BBRMVZONSA-N 446.330 5.015 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19762437 YWGBWEAQQLRIII-RBJSKKJNSA-N 449.550 5.792 30 50 IKEA Oc1c(Br)cc(Br)cc1C=Nc1ccc(Br)cc1 254700523 CVXMCWODKNBQFO-UHFFFAOYSA-N 433.925 5.430 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 1857525245 NDZYXAXWOZOQAQ-WZUVUZNUSA-N 434.624 5.884 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 720524 GFHWUBIEAVZQDB-BZQUYTCOSA-N 432.545 5.745 30 50 IKEA CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 8846665 NVTWIXACOHQGCP-CRYYWNKWSA-N 444.962 6.718 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1ccc(F)cc1)c1ccccc1Br 9019303 UJZDDPQELGNSHH-YRNVUSSQSA-N 443.243 5.843 30 50 IKEA N#Cc1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nc(C(F)(F)F)c2c1CCC2 13640453 CMTBDSQITSFHPD-UHFFFAOYSA-N 443.281 5.708 30 50 IKEA O=C(/C=C/c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1 263639857 MJCGIQBSBMWTHX-FPYGCLRLSA-N 438.833 5.923 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O 812932 OSQNVTKXOKFBHH-LMKMVOKYSA-N 446.934 6.034 30 50 IKEA in-vitro CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2nnc(N)s2)cc1 1066210 VYTZAJIKTXAKOM-UHFFFAOYSA-N 449.576 5.188 30 50 IKEA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1427812 IROPHWKZMNPUBU-MHECFPHRSA-N 441.556 5.143 30 50 IKEA C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1ccc(C)cc1 2544623 KMERTBHANXBNDF-UHFFFAOYSA-N 441.988 5.077 30 50 IKEA CCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 8443856 XBPUHAZGAJUOGE-SANMLTNESA-N 432.564 6.028 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F 9472410 CGNMNWIRDOOKSD-HSZRJFAPSA-N 447.506 5.803 30 50 IKEA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 17097323 MCSNZOBIVIMKIB-CABCVRRESA-N 431.001 6.139 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 1772492433 LISUREDJGUCUNG-OWXQWXFOSA-N 439.640 5.677 30 50 IKEA COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccs1 781599 CPBIHIHWHZSILW-GYCJOSAFSA-N 437.561 5.070 30 50 IKEA CSc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 1185119 VOAABNTYLFSTQX-AREMUKBSSA-N 440.568 6.225 30 50 IKEA CCOc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 1185598 FXWKVXXIUHSQOH-MHZLTWQESA-N 438.527 5.902 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 1199304 MMIJTDNGKZNQHE-PPHZAIPVSA-N 442.946 6.261 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1467862 KGWJKHNQEUXZHS-DWXRJYCRSA-N 441.487 5.583 30 50 IKEA C[C@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2790827 ZXFJQVARNFMMEO-OLZOCXBDSA-N 449.418 5.005 30 50 IKEA Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 2790906 BYNAUSKQQZFGOL-STQMWFEESA-N 449.418 5.238 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 8837427 BXFAFNUBDSUWKZ-VWLOTQADSA-N 448.478 5.657 30 50 IKEA CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 12416647 MBAKNYDGHLYQIR-JOCHJYFZSA-N 434.326 6.515 30 50 IKEA CCCCCCCCCCCCSC[C@H](O)Cn1c2ccccc2c2ccccc21 100659885 LCOXIBFUFALKBG-HSZRJFAPSA-N 425.682 7.810 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(F)c2)cc1 812866 QSTWRMPTFOQGTR-WGDIFIGCSA-N 432.470 5.953 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 5397111 HKLRGZCPIUHXOU-RUZDIDTESA-N 445.559 5.351 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 19639968 ITJXPPUKBJZXDH-OAQYLSRUSA-N 444.369 5.293 30 50 IKEA COc1cccc(C=NNc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1O 252680184 XCZAGJVIWOAYNA-UHFFFAOYSA-N 439.302 5.764 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 627433 DCHYFSAAGOEXQS-XMMPIXPASA-N 431.532 5.043 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1123518 BHOVGMRNGZGRNQ-AFMDSPMNSA-N 425.488 5.883 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 1408930 UXXFGVKPOTVQKM-XHCCPWGMSA-N 426.516 5.683 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4060362 NEPCHUHGUTUJFW-DFBJGRDBSA-N 431.532 5.010 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccnc1 4074962 NSTOXWAGNZTKNY-BCHFMIIMSA-N 427.479 5.141 30 50 IKEA Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 8606776 DHLIXXMVTHHQKG-UHFFFAOYSA-N 427.451 5.678 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S 22257856 HUJYIEFRZSSVJI-HMMYKYKNSA-N 445.993 5.575 30 50 IKEA CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)c(Cl)c1 101014130 XJFPDMABFJZFNK-UHFFFAOYSA-N 435.501 8.248 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 975338 CUXIXMQHPVSDDF-XDHOZWIPSA-N 431.966 5.315 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 4060367 NEPCHUHGUTUJFW-KBMIEXCESA-N 431.532 5.010 30 50 IKEA C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(/C)c1ccc(F)cc1 6142420 QEDZPCJTDQBXSY-NOQLHCICSA-N 449.473 5.297 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl)c1ccccc1 9993308 SDEWEGVSYLVQCF-FQEVSTJZSA-N 446.915 5.733 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CCC4=C/C(=N\Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O 253499189 HESAJDXBMHQLJH-DMYSZGNESA-N 445.434 7.293 30 50 IKEA biogenic CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772492434 LISUREDJGUCUNG-PYCOXMNKSA-N 439.640 5.677 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1Cl 682659 CTZAXLCKRMFICN-FQEVSTJZSA-N 448.872 6.045 30 50 IKEA O=C1c2ccc([N+](=O)[O-])cc2N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 2192416 ULGSDNISNXSKFH-BLTFUYFMSA-N 441.274 5.502 30 50 IKEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S 13940644 AVGUGIDJMORGQR-XDHOZWIPSA-N 445.993 5.623 30 50 IKEA CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)c(C)c1 256081145 ZYKBEIDPRRYKKQ-UHFFFAOYSA-N 437.543 5.723 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 257357700 PMBSWZWCNKVWLV-VMKKCOKRSA-N 442.684 7.139 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 1183787 ZTEHWVZATXHWEJ-NYHFZMIOSA-N 441.980 5.715 30 50 IKEA CC1(C)C[C@@H](n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 2350868 CNXKGAYZXKRWOO-SFHVURJKSA-N 435.593 5.024 30 50 IKEA biogenic CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N(C(=O)Nc1ccccc1)[C@H]2c1ccccc1 9482798 XTWVDJOJCIAWDK-DEOSSOPVSA-N 438.531 5.930 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl)c1ccccc1 856619 GXIDLLVAGNKJCN-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA COc1cc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 1215702 ZCEACTMKSLSULO-PPHZAIPVSA-N 426.516 5.689 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1)c1ccccc1F 4360387 VORLZEVMSXWTMV-ZMOGYAJESA-N 427.888 5.019 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O 100308734 QAJSOWVLJWYKLV-UHFFFAOYSA-N 434.642 8.698 30 50 IKEA CC[C@H](C)Oc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O 673080 PNXJNSIYRDXNJQ-QLXKLKPCSA-N 432.564 6.027 30 50 IKEA COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl 8398455 PPPUKZBDLULFAN-XNWCZRBMSA-N 431.290 6.616 30 50 IKEA C=CCOc1ccc2c(c1)C(=NNc1ccc(C(=O)O)cc1)c1cc(OCC=C)ccc1-2 20615553 SEQBYXHZKJVEJI-UHFFFAOYSA-N 426.472 5.359 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 883130 DVDPCBUPISECOT-DXPJPUQTSA-N 432.470 5.953 30 50 IKEA Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c12 2836408 ZAGQSVHLADELBB-UHFFFAOYSA-N 429.524 5.004 30 50 IKEA Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2cccc(Cl)c2Cl)c1C 8809784 COMNVLNYTAEYJU-LSFURLLWSA-N 428.283 5.126 30 50 IKEA O=C(C[C@H]1S/C(=N\N=C\C=C\c2ccccc2)N=C1O)Nc1cccc(Cl)c1Cl 15767729 LWTVXADIWHQWKN-FDXXKCGESA-N 447.347 5.449 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl 18322543 QLJYLEUKPIZAFW-RUZDIDTESA-N 436.983 6.673 30 50 IKEA CCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl 97950718 PXWLNWWENDKUQZ-INIZCTEOSA-N 438.852 5.454 30 50 IKEA CCOC(=O)c1c(-c2ccccc2Cl)csc1/N=C\C=C\c1ccccc1[N+](=O)[O-] 109467037 RSXFXNOVNXDWGY-PFEUMHRUSA-N 440.908 6.569 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]([N+](=O)[O-])C[C@]4(C)[C@@H]3CC[C@]12C 257348219 CKRLTARSGDZFIB-GODXBJHKSA-N 431.661 6.932 30 50 IKEA CC(O)=Nc1cc(/C(O)=N/C[C@H](CN(C)C)c2ccc(Cl)cc2)cc(C(F)(F)F)c1 328591962 IHUFIBKXWGUFSN-MRXNPFEDSA-N 441.881 5.617 30 50 IKEA COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 720200 WVEJDHWOZRMKDJ-QFIPXVFZSA-N 426.944 5.893 30 50 IKEA COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1434743 CAMUSSBJXLSYGW-WXTAPIANSA-N 441.487 5.583 30 50 IKEA O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 2989665 YRDNJZZGNQODJR-UHFFFAOYSA-N 440.271 5.145 30 50 IKEA CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 8431735 IZGYIPCECYBTOM-SANMLTNESA-N 432.564 6.028 30 50 IKEA CSc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 8440519 KOCLNSLPPORYAS-QFIPXVFZSA-N 433.577 5.046 30 50 IKEA CCCCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccccc21 100658544 CUZRGBXXSYLWND-UHFFFAOYSA-N 436.596 5.376 30 50 IKEA CCCCCCCCCCCCCC[C@H](C(=O)OCC)[N+](C)(C)Cc1ccc(OC)cc1 100690073 CMQYMTVKUZMZFE-HHHXNRCGSA-N 448.712 7.295 30 50 IKEA CCCCc1c(-c2ccc(/C=N/O)s2)sc(-c2ccc(/C=N/O)s2)c1CCCC 2518941 BODIXFLCTGIJKP-RNIAWFEPSA-N 446.663 7.507 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 9331518 NVADBJPISFMYEC-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2Cl)cc1 12243199 JTNZLEYBGMMMOK-NTCAYCPXSA-N 430.935 5.379 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2c(C)cccc2C)SC1=S 22229179 BSEMIYBNKNXPSQ-HKWRFOASSA-N 425.575 5.148 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 35817501 JESQQNXVXJKARR-CQSIOLINSA-N 433.523 5.529 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@]12C 257348657 HVEXIRSOIACQFA-LKLDDISHSA-N 430.677 7.378 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 827598170 VOETZVYTDQTIBX-LNQLXYLFSA-N 446.588 5.239 30 50 IKEA CC1=Nc2ccccc2N/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 1316415 FJOTZLTVHBWUEO-OAQYLSRUSA-N 432.867 5.789 30 50 IKEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2F)c1 9014027 VHSDPQSZHHCCRF-UFFVCSGVSA-N 435.322 5.179 30 50 IKEA CCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCC 56898842 WITKSCOBOCOGSC-RUZDIDTESA-N 440.709 8.303 30 50 IKEA in-man C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 221649503 FVWJYYTZTCVBKE-RYIHONRDSA-N 442.728 6.997 30 50 IKEA biogenic CN(C)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 1421737 CKRGZYBCQPGMIS-DCFHFQCYSA-N 434.539 6.457 30 50 IKEA C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1 2862366 UNYNJUPYCVHHHQ-UHFFFAOYSA-N 442.850 5.127 30 50 IKEA N#Cc1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 2880769 LWQNZCHZUZJAGS-UHFFFAOYSA-N 447.585 5.204 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 8783413 DGLHXLMBPUNVAZ-FSSWDIPSSA-N 449.476 5.722 30 50 IKEA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)[C@@H](C(=O)O)C1 17099067 BDGUZVIBYQBJJB-IHPCNDPISA-N 434.561 5.278 30 50 IKEA CCCCOc1ccc(C2=CC(OB(F)F)=C(C(C)=O)[C@@H](c3ccccc3OC)C2)cc1 169805620 STCWZBZSGLBIOO-JOCHJYFZSA-N 440.295 6.229 30 50 IKEA C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 257424103 GESZMTVZGWZBPW-ZZNVZMSCSA-N 442.728 7.306 30 50 IKEA biogenic COc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 263618398 SUEFXHKOTAGOLJ-UHFFFAOYSA-N 437.492 5.101 30 50 IKEA CCCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 8892466 QRFJIXQSKWMRLJ-PIKZIKFNSA-N 449.550 7.180 30 50 IKEA CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1S2 197956112 JFTIJPRKUGEPTR-UHFFFAOYSA-N 439.386 5.388 30 50 IKEA C#CCCC1(CCSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)N=N1 2325899746 UXNRXYLUZNKUDD-UHFFFAOYSA-N 442.375 6.299 30 50 IKEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 709468 HBJPZHCWYVMFSK-LMKMVOKYSA-N 445.906 6.228 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(C(F)(F)F)c1 717037 RFBYMWAFDRFDDM-XOBRGWDASA-N 447.478 5.302 30 50 IKEA COc1ccc(Br)cc1/C=N/n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 2358307 CGUCMZYRDIPULM-WSDLNYQXSA-N 445.386 5.558 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)o2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 8856902 RJURTOCYQLFIPM-GYCJOSAFSA-N 437.561 5.497 30 50 IKEA C/C(=N\N(c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 33630489 PLXKJFWPOVOXNG-WGOQTCKBSA-N 448.935 6.934 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(C)c(C)c2)SC1=S 2874114 LZRNPNHBRVFOII-CJLVFECKSA-N 439.602 5.539 30 50 IKEA Cc1ccccc1N/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 6296161 DQPPMEPLKXRNEE-UHFFFAOYSA-N 429.339 5.005 30 50 IKEA O=C(O/N=C(/c1ccc([N+](=O)[O-])cc1)N(C1CCCCC1)C1CCCCC1)c1ccccc1 16511920 FEUVVTKJCBNJEB-RFBIWTDZSA-N 449.551 6.081 30 50 IKEA CC(C)[N@+](C)(CC#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 247693272 XMLJZMMZIZSGTD-ZLUZBQSSSA-N 432.628 6.143 30 50 IKEA biogenic COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4=CCCC4)cc3)n2)cc1OC 2325735763 WCUKWNVRSNZYMO-FQEVSTJZSA-N 430.529 5.885 30 50 IKEA Brc1cccc(/N=C/c2ccc(/C=N/c3cccc(Br)c3)cc2)c1 2170815 HTCRDSPMLZYKHL-RNIAWFEPSA-N 442.154 6.713 30 50 IKEA CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2 9984987 DNMTVJMATFLCQQ-HXUWFJFHSA-N 439.606 5.088 30 50 IKEA C=C(C)[C@@H]1CC=C(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1 11666821 GJVCMSOXDPWGPO-HSZRJFAPSA-N 445.607 5.157 30 50 IKEA CC1=CC(C)(C)N(CCCC(=O)O)c2cc3c(cc21)C=C1C=CC(=[N+](C)C)C=C1C3(C)C 25759825 YASIJCFIVBXZFO-UHFFFAOYSA-O 431.600 5.437 30 50 IKEA in-vitro O/N=C(\c1ccccc1)[C@@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1 71767273 SCLPXTHLYLDYNO-QMMFTLRZSA-N 431.535 7.139 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cc(C)cc1C 100857215 BAKBWFNGSKVPNW-UHFFFAOYSA-N 430.721 8.995 30 50 IKEA CC(C)(C)c1ccc(-c2nnc(S)n2/N=C/C(Br)=C/c2ccccc2)cc1 2320905 TYPNHNNGNDVJIU-HCWGUIKXSA-N 441.398 5.801 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 8431452 CNNWALFBTGPNRD-RUZDIDTESA-N 447.535 5.928 30 50 IKEA Cc1c(C#N)c2nc3c(c(-c4ccc(Br)cc4)c2n1-c1ccccc1)CCCC3 8453865 GJGHVBVHCKQBJR-UHFFFAOYSA-N 442.360 6.514 30 50 IKEA Fc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1 16513052 AGENSSCHPZMKAA-CVKSISIWSA-N 447.311 6.158 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19855330 PUMHXNHZVUZKGS-NLFFAJNJSA-N 433.523 5.387 30 50 IKEA CC1(C)OB(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)OC1(C)C 202571767 AIYLNDJDCBJMMY-UHFFFAOYSA-N 445.371 6.750 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 883123 DVDPCBUPISECOT-AKJBCIBTSA-N 432.470 5.953 30 50 IKEA CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 993757 JONSVWVNVJWECN-AREMUKBSSA-N 431.580 5.696 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 8415391 IIROCNQGLPEUAO-DEOSSOPVSA-N 447.554 5.134 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 9046066 WEWIQWUUBJGZRD-SANMLTNESA-N 446.547 5.749 30 50 IKEA COc1c(C(=O)Nc2sc3c(c2C#N)CCC3)cc2ccccc2c1Br 2884922 NYYJPWLOYAWSTI-UHFFFAOYSA-N 427.323 5.285 30 50 IKEA CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 8431734 IZGYIPCECYBTOM-AREMUKBSSA-N 432.564 6.028 30 50 IKEA O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1 8648670 HXRSOYCNABLYMF-UNZYHPAISA-N 432.155 6.432 30 50 IKEA CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 9236054 YKQAWPGEECCHEK-HSZRJFAPSA-N 426.516 5.158 30 50 IKEA CCOc1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 9861205 VMSZIZZFUSRMGY-XMMPIXPASA-N 445.563 5.031 30 50 IKEA O=C(NC1CCCC1)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 17095561 KLGGJIABGQYAFT-JVWAILMASA-N 427.573 6.174 30 50 IKEA C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)SC1=S 32670941 VOJURYHECUUSRG-HKWRFOASSA-N 437.586 5.591 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OC[C@H](C)COc2ccccc2)SC1=S 2847972 JQZSDQWCPXHKOE-AQRZYSDFSA-N 425.575 5.168 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 3461821 LKOLIWPFEGPTIO-OAHLLOKOSA-N 433.356 5.144 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 8968595 UIRHLVVFWAYYHY-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA C=CCn1c(C)nnc1SCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 13990113 GYVWJBYEPMLJMI-UHFFFAOYSA-N 435.578 5.088 30 50 IKEA Clc1ccc(-c2csc3ncnc(N/N=C/c4c(Cl)cccc4Cl)c23)cc1 25580131 VBHLGSXYRJOECY-ZNLRHDTNSA-N 433.751 6.765 30 50 IKEA CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C 202572471 PVGOPEUJUVXCGN-UHFFFAOYSA-N 435.336 5.172 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccc(Cl)c2)o1 629447 LXXKLEOGXROZHW-UHFFFAOYSA-N 449.978 6.573 30 50 IKEA CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2 4125670 XJGKXBLESHAYIE-FQEVSTJZSA-N 439.606 5.088 30 50 IKEA CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 5092549 KNSLAUYCFAAQEL-XHCCPWGMSA-N 427.548 6.105 30 50 IKEA Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)cc1 8590156 HAOAGNMKVDOQGF-UHFFFAOYSA-N 445.441 5.817 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S 19798802 UXGATXLGXPZDJJ-WOJGMQOQSA-N 436.385 5.960 30 50 IKEA CCCCCCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2C)c(O)c2ccccc21 100658367 MMCJQDMZPQZEQJ-UHFFFAOYSA-N 434.580 6.327 30 50 IKEA COc1ccc(O)c(/C=N/c2ccc(/N=C3/c4ccccc4C(=O)[C@@H]3c3ccccc3)cc2)c1 105993911 BJAPDPASLPNVLA-HPWLSIMCSA-N 446.506 6.252 30 50 IKEA Cc1nc(-c2ccccc2)sc1-c1cc(-c2ccccc2)c(C#N)c(Br)n1 221569779 URHCYJZENOXJPR-UHFFFAOYSA-N 432.346 6.482 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 257347753 SUISKBUAOOSHAW-YUQWHXGPSA-N 444.612 5.265 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 2927011 BACMQGSHIULFSS-CPJSRVTESA-N 431.532 5.010 30 50 IKEA C=CCc1ccc(OCCOCCOc2c(C)cc(C)cc2Br)c(OC)c1 2987089 VKHCMQFVEWHAKP-UHFFFAOYSA-N 435.358 5.277 30 50 IKEA C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccccn2)CC1 14998703 CIFGYBDMSTYHMN-UHFFFAOYSA-N 440.016 5.184 30 50 IKEA Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 15769110 JTKVWSABDAHHAV-JOPVOSQUSA-N 440.455 5.086 30 50 IKEA Cc1noc(C)c1COc1cccc(/C(O)=N/[C@H](C)CCCC/N=C(/O)OC(C)(C)C)c1 328592539 TZIWJMKSPHCTIW-MRXNPFEDSA-N 445.560 5.463 30 50 IKEA C#Cc1ccc(NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(Cl)c1 1875318760 VQZDBFGXBDHUJP-SFHVURJKSA-N 425.916 5.783 30 50 IKEA CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 815810 TZUWKRAYJMAJJN-GKVSMKOHSA-N 430.529 5.653 30 50 IKEA C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C 2302256 OVFOKMZBDXPYLK-STZFKDTASA-N 447.585 5.244 30 50 IKEA C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1 2342206 KEUIDLKUQUNQKK-UHFFFAOYSA-N 433.364 5.477 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 2359534 UEPHFELYFHOVBE-UHFFFAOYSA-N 432.505 5.247 30 50 IKEA C[C@@H]1CCc2c(sc(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)c2C#N)C1 2728136 CVAAWKFNLNQBEO-GFCCVEGCSA-N 440.462 5.414 30 50 IKEA CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 13568550 VNLHLXBIHDGYKZ-HFJWLAOPSA-N 430.573 6.515 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1 14966050 HNNODYHRTBGTRI-HXUWFJFHSA-N 449.572 5.423 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 18172875 BQCCHOWCZWHBJU-RUZDIDTESA-N 434.536 5.257 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c2ccccc2cc2ccccc12 19535707 VDXADYOWHQEHPH-MHZLTWQESA-N 439.555 6.160 30 50 IKEA CCCCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCCCC 101018504 NKTVKUMRQOCZDY-SSEXGKCCSA-N 438.825 10.920 30 50 IKEA Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 1216814 XLAHUQIIMZNDHU-NIYFSFCBSA-N 425.488 5.883 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc13)N2 1424707 WGADOOZKZYOCEQ-CPJLOUKISA-N 436.467 5.515 30 50 IKEA C=CCOc1c(I)cc(CNc2ccc(C)c(Cl)c2)cc1OC 2093791 PLUAGGAJIIMUKK-UHFFFAOYSA-N 443.712 5.439 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 14979695 LCQKHZYXPCLVBI-KTKRTIGZSA-N 440.672 7.570 30 50 IKEA in-vitro COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)c(OCc3ccccc3)c2)c1 16956830 OPSVHBBQKMNGIE-MFKUBSTISA-N 446.532 5.086 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 257347671 PMBSWZWCNKVWLV-QSCSCSHRSA-N 442.684 7.139 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 674137 MDSSCXDGYAOCPG-CRICUBBOSA-N 443.459 5.108 30 50 IKEA C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 1165806 DRGHAVSWFHPYRO-STZFKDTASA-N 431.586 5.543 30 50 IKEA C#CCOc1ccc(Br)cc1/C=C1\SC(Nc2ccc(C)c(C)c2)=NC1=O 2972705 SPNDKSVUMWIOAY-UNOMPAQXSA-N 441.350 5.160 30 50 IKEA Brc1ccc(-c2n[nH]cc2/C=N/N=C(c2ccccc2)c2ccccc2)cc1 13322088 ZGUXTYNSUSPKFT-MFKUBSTISA-N 429.321 5.711 30 50 IKEA CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 20617947 WLRHMCNOPGIQAT-NUGSKGIGSA-N 444.866 5.425 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 1176654 KEFQWZYOJXNKTN-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA CCCCCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 2062755 CEOUOPJIPHACFF-UHFFFAOYSA-N 448.346 6.311 30 50 IKEA CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F 2792484 BDKOMLFURYDYAF-CQSZACIVSA-N 448.535 6.023 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(F)cc3)c2C#N)cc1 8809574 TWNWFMSUSCLWLP-UHFFFAOYSA-N 426.516 6.727 30 50 IKEA C=CCNC(=O)c1c2n(c(C)cc1=O)-c1ccc(Cl)cc1S[C@@H](c1ccsc1)C2 14960101 LEZMOENFLGJTPU-LJQANCHMSA-N 442.993 5.166 30 50 IKEA C#CC[C@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 1875318107 MORWPVGUBKMGDD-HNNXBMFYSA-N 427.426 5.093 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 4064493 XSNLCTYJONDVHU-QMTYFTJSSA-N 448.925 6.467 30 50 IKEA biogenic,in-vitro CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2 4125669 XJGKXBLESHAYIE-HXUWFJFHSA-N 439.606 5.088 30 50 IKEA C=CCn1c(SCC2CCCCC2)nnc1C1CCN(Cc2ccccc2O)CC1 12184814 PXWXHEHXRCMYRV-UHFFFAOYSA-N 426.630 5.222 30 50 IKEA CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 12652482 RTLVASMBPGAUNB-VOIUYBSRSA-N 431.492 5.366 30 50 IKEA S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccc(Cl)cc1Cl 16996428 WUKGEGYYPNFTSF-UFWORHAWSA-N 428.142 5.559 30 50 IKEA CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1 4794509 HDUMIDJOVSEWSL-NRFANRHFSA-N 437.536 5.312 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl)c1ccccc1 9993307 SDEWEGVSYLVQCF-HXUWFJFHSA-N 446.915 5.733 30 50 IKEA CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 4635568 CDXZMWKCWCVSJZ-VWLOTQADSA-N 447.554 5.279 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(C(C)(C)C)s2)C2=C(CCCC2=O)N1 10013789 WPLZZPUOMLGFGI-QHCPKHFHSA-N 438.568 5.791 30 50 IKEA CC(C)OC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 19638813 CSPAKWLFOPDOMO-NRFANRHFSA-N 443.568 5.576 30 50 IKEA C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1Cl 245226349 SFFRKNZZMKEFCL-UHFFFAOYSA-N 435.936 6.134 30 50 IKEA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]6O[C@H]6C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257350252 VXMOMCPHHMOJSD-XREUUOGISA-N 440.712 7.300 30 50 IKEA C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1cc2ccccc2o1 1060431 PTJCTQSVYPCRGK-UHFFFAOYSA-N 433.533 5.771 30 50 IKEA CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCCO 2773364 PQDRYJRFUAPZNV-HHHXNRCGSA-N 429.516 5.283 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 18180658 RPVNPNHAAGEORV-XMMPIXPASA-N 429.476 6.077 30 50 IKEA CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 20602265 XLLVCEWUWMRFCJ-OJWAVEFSSA-N 443.635 6.570 30 50 IKEA COc1ccc(Oc2ccc(CNc3oc(-c4cccc5ccccc45)nc3C#N)cc2)cc1 1775976113 OPUPUNXEGYXDRB-UHFFFAOYSA-N 447.494 6.779 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 2055155 OJJOXPNKKIAKSJ-IBGZPJMESA-N 432.358 5.006 30 50 IKEA COc1cc(Cl)cc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c1OC 2834586 QONSFMBEJYADFS-NVNXTCNLSA-N 440.373 5.914 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3cc(C)ccc3C)c2)SC1=S 2878414 IUHFUTRHJDIBIU-CJLVFECKSA-N 439.602 5.539 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S 12343718 BNQCOUHNXZVGDO-HMMYKYKNSA-N 445.993 5.575 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)N1CCC(C2CCOCC2)CC1 585681200 DQDAIRAOQXECLY-UHFFFAOYSA-N 435.737 7.913 30 50 IKEA Cc1cccc(-n2cnc3cc(C(=O)Nc4cccc(C#Cc5ccccc5)c4)ccc32)c1 1875279442 HKVMBFVYBXXIHR-UHFFFAOYSA-N 427.507 5.986 30 50 IKEA Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 9312172 UOSHNJLDXINYON-QFIPXVFZSA-N 441.369 5.993 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1OC 9560024 XNQSIZHVUSNFFG-DZGCQCFKSA-N 446.330 5.015 30 50 IKEA Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 1216816 XLAHUQIIMZNDHU-AFMDSPMNSA-N 425.488 5.883 30 50 IKEA Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)cc(-c3ccccc3)c2C#N)c(C)c1 2074118 IFZMNJPQEJZLCD-UHFFFAOYSA-N 429.589 6.265 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 2762198 SXMZLGGLKKFOMY-KSFYIVLOSA-N 425.525 5.202 30 50 IKEA Cc1nc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C#N)c(C)c1Cl 12372246 HLCQNQZHBHNWLF-UHFFFAOYSA-N 435.980 5.545 30 50 IKEA C[C@H]1CC(C)(C)N(C)c2ccc([C@H]3C4=C(CCCC4=O)Nc4nc5ccccc5n43)cc21 230144279 FMTLDGNAGVCGTD-LMKMVOKYSA-N 426.564 5.780 30 50 IKEA Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)c1 2977269 YSSFOPZSWLEOPX-KBKYJPHKSA-N 433.339 5.357 30 50 IKEA CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1 8974623 RKAPRONBLMDNBI-VKGTZQKMSA-N 440.543 6.073 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 861348 IXPGNTPEPUTNDM-QYBDOPJKSA-N 430.935 6.328 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1O 16426275 BHNMFUWMAHUHPN-UHFFFAOYSA-N 429.423 5.075 30 50 IKEA C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 136385896 MPHNQMXBZMOYGA-UHFFFAOYSA-N 444.084 5.629 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781299 CYRJXPPPAOQGQD-HXOBKFHXSA-N 439.552 5.448 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC 1217620 VGEDZCPHLUUQHL-PIIWDFAUSA-N 440.543 5.992 30 50 IKEA C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3 2233729 CGKQLRYTNRKXKU-UHFFFAOYSA-N 447.423 5.757 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)ccc3C)cc2)SC1=S 2878297 GVRNCILAMBUDQW-CJLVFECKSA-N 439.602 5.539 30 50 IKEA CNC(=O)CCSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1C#N 16399460 PUJZHBSDXUUOEP-UHFFFAOYSA-N 434.270 5.174 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OS(=O)(=O)c1ccc(C)cc1 248114366 ZJUABQDERHSYQM-RTJMFUJLSA-N 440.605 5.634 30 50 IKEA C=CCNC(=O)[C@H]1C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 1775975029 BFIGATMIZVPDFM-ZEQRLZLVSA-N 429.564 5.370 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1 630710 LYLCHAAMYDNCQX-NGOKVRLYSA-N 439.559 5.741 30 50 IKEA Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(c5ccco5)CC4=O)cc3)sc2c1 1148616 PAMZHOATHAPULR-UHFFFAOYSA-N 428.513 5.876 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(F)cc3)o1)Nc1ccccc1-2 2977379 FHPRVLSVNOPMIM-OAQYLSRUSA-N 432.480 5.719 30 50 IKEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 9273838 CIGXJOQQVYILDJ-XMMPIXPASA-N 443.499 5.012 30 50 IKEA C=CCSc1nnc([C@H]2CCCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)n1C 14987040 UHPYTJDBKRTRSJ-KRWDZBQOSA-N 428.989 5.386 30 50 IKEA CCSc1nncn1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 20617966 HPVKWOCALIRKMB-QPSGOUHRSA-N 431.732 5.405 30 50 IKEA C=C1C[C@H]2[C@H](OCc3ccc(OC)cc3)[C@@H](C)C[C@H]2[C@@]2(O)[C@H]1C[C@H]1C(C)(C)CC(=O)[C@@]12C 71786755 QIHUPRXUAFZFNA-WCFBQBBRSA-N 438.608 5.185 30 50 IKEA COc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 828730 PZAYJGYNCHIXMY-XMMPIXPASA-N 434.333 6.284 30 50 IKEA COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F 2792429 YDOQOOZSHDYPDV-ZDUSSCGKSA-N 434.508 5.633 30 50 IKEA CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1 8743730 LDHOXZFJHVNDOU-HXUWFJFHSA-N 446.553 5.703 30 50 IKEA COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@H]3C)n2)cc1 12385124 RSKKVRFQJUXVDX-CQSZACIVSA-N 449.498 5.141 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1 19635432 GJXNZLWSOVVDNT-IVZQSRNASA-N 442.342 5.528 30 50 IKEA CCN1/C(=C\C=C2/CC/C(=C3\Sc4ccccc4N3CC)C2=O)Sc2ccccc21 208549581 IKXDZJWYHLIPJC-IWSMWJNWSA-N 432.614 6.593 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1 217824119 CZGGGGKWSISETH-SOFYTKRASA-N 434.394 5.031 30 50 IKEA biogenic CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 1132848 OAGBZAFLRCGTBD-QVKFZJNVSA-N 445.437 5.223 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 1169242 OKUJJDNMJVPNGC-QFIPXVFZSA-N 425.326 5.366 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 4067210 AVJGPYYMGUTUTI-AREMUKBSSA-N 445.559 5.229 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F 19761929 VNVRIFOIKKKMRY-QRQCRPRQSA-N 425.887 5.014 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 72177032 OHTBGMREZYLZQD-UHFFFAOYSA-N 432.733 9.852 30 50 IKEA endogenous,in-man COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O 710626 FDVXNNIFAZBQQL-QLXKLKPCSA-N 442.515 5.389 30 50 IKEA CC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccc(Br)cc3)c2c1-c1ccccc1 755421 OURUMQFGSQPXBG-UHFFFAOYSA-N 444.332 6.146 30 50 IKEA Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1179056 FHDWDEJFAWUXBB-RLMNYEENSA-N 440.455 5.086 30 50 IKEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 2775523 YZWSCBAAIOOYLZ-OAQYLSRUSA-N 445.650 5.309 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O 13568554 BNQZVNDPPTXWIL-QLXKLKPCSA-N 446.934 6.034 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19535388 IENQBFXOQIWOAP-QHCPKHFHSA-N 435.951 5.687 30 50 IKEA O=C1C2=C(NC3=C(C(=O)c4ccccc43)C23C(=O)c2cccc4cccc3c24)c2ccccc21 19795177 VBQWYJSORXLZFX-UHFFFAOYSA-N 437.454 5.092 30 50 IKEA COc1cccc([C@@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 893668 IQINLGKEWVTTPJ-DWXRJYCRSA-N 430.935 6.328 30 50 IKEA O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 2164881 QBGRBRMCWPADQZ-ASIDMNOUSA-N 443.246 6.311 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 8413059 SUPVQWYACMXLIM-JOCHJYFZSA-N 443.572 5.539 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 12648746 YLNFDTSZCDVHIG-QLXKLKPCSA-N 446.934 6.244 30 50 IKEA O=C1c2ccccc2C(=O)c2c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cccc21 59727781 MOBZFNZUNCSCPG-UHFFFAOYSA-N 438.270 5.012 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 257355245 ZGLHBRQAEXKACO-GTYYVJRHSA-N 428.657 5.727 30 50 IKEA CCOC(=O)c1sc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c(C#N)c1C 998314 WLBMUFXBPATAGL-UHFFFAOYSA-N 438.505 5.146 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 5091637 QGINGTOFZBVZKJ-VWLOTQADSA-N 431.580 5.552 30 50 IKEA COc1ccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 8437061 NAAZRSQSGGMPNQ-UYRXBGFRSA-N 445.471 5.286 30 50 IKEA CN(C)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 16667329 SCZDWWWCUJAVTH-HXNPFYCNSA-N 427.573 5.425 30 50 IKEA CCCCCCCC[Si](CCCCCCCC)(CCCCCCCC)c1ccccc1 169818790 IUEPLBPZJMJOKX-UHFFFAOYSA-N 444.864 10.424 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1219701 WDLUUDAGFQCRQK-NRESZANFSA-N 445.902 5.531 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 2776230 BJAQRJZBQYOTIL-DFBJGRDBSA-N 449.522 5.149 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 16294250 VQXJVTIPWUYNDX-OAQYLSRUSA-N 445.321 5.739 30 50 IKEA Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)c1 18023953 RKGPZXKLJQNHEY-WOLPYFHWSA-N 443.572 5.464 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 19798090 AHEQYZLQQKFCNG-NRFANRHFSA-N 434.363 5.837 30 50 IKEA CCCc1cc(N2CCN(Cc3ccc(C)cc3C)CC2)n2c(nc3ccccc32)c1C#N 19808259 QLIXYGRIZXLVPZ-UHFFFAOYSA-N 437.591 5.251 30 50 IKEA Cc1cc(COc2ccc(Cl)cc2C)c(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1 20602298 FXUUKDJEMHEAGW-UHFFFAOYSA-N 431.967 6.239 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 18082385 URVROLGYPGPCLQ-MUUNZHRXSA-N 448.566 6.269 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 9861135 FCBSXAHZDYQGAO-FQEVSTJZSA-N 442.346 5.303 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4cc(OC)ccc4OC)c3c2C1 25580596 BIQAKCCSGMCNET-WMMPRDMWSA-N 438.597 5.696 30 50 IKEA Cc1ccc(S(=O)(=O)NN=C2C[C@]34CCCCCCCCCC[C@]3(CC(=O)C4)C2)cc1 45072058 HEXSWHUJJPULAI-PLQXJYEYSA-N 444.641 5.673 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)[C@H]3CC[C@H]4O3)n2)cc1OC 2325866155 BTWDBQFNHHGJEE-DFQSSKMNSA-N 432.501 5.224 30 50 IKEA CCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 4064184 TWRWTRGHSIGDHC-VWLOTQADSA-N 431.532 5.187 30 50 IKEA O=C(/C=C/c1ccc2ncccc2c1)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 8398254 FUCSAZATLAVQMN-UKTHLTGXSA-N 447.450 5.548 30 50 IKEA C=CCOc1ccccc1CN1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc(OC)c(Cl)c1 12183713 JAVBYXVUHXJVOA-HXUWFJFHSA-N 440.971 5.154 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S 12343719 OOTZKPQJCFBXAU-HMMYKYKNSA-N 445.993 5.575 30 50 IKEA Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 21355966 VCSCNWKOKQMZNU-VWLOTQADSA-N 443.572 6.577 30 50 IKEA CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl 97950707 ALBQGYWPKWMBCT-MRXNPFEDSA-N 438.852 5.454 30 50 IKEA COc1ccc([C@@H](CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)N2CCCC2)cc1 1775976552 RUHDXYLFANBTJU-BZEHTCKPSA-N 432.499 5.113 30 50 IKEA C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1 10035317 KDUKQIGZEHYLQG-OYLFLEFRSA-N 432.907 6.000 30 50 IKEA Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9019284 JGSXFYJLSDWPHZ-BFFNPARHSA-N 440.455 5.086 30 50 IKEA Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 14186420 GQBVBKBHCIUGTM-UHFFFAOYSA-N 434.590 5.303 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19638530 XEXSXBVLADCZJZ-FNZWTVRRSA-N 443.543 5.240 30 50 IKEA O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1cccc(OC(F)F)c1 20028599 UWIDHHCBBMUYBJ-VOTSOKGWSA-N 441.305 5.109 30 50 IKEA O=C1CCCC2=C1C(c1ccc(-c3cccc(C(F)(F)F)c3)o1)C1=C(CCCC1=O)N2 25539530 RRVRAHXQUBLXSE-UHFFFAOYSA-N 427.422 5.666 30 50 IKEA CC(=O)Sc1ccc(C#Cc2ccc(C#Cc3ccc(SC(C)=O)cc3)cc2)cc1 42784430 HTBKJDXAIPKGEY-UHFFFAOYSA-N 426.562 5.763 30 50 IKEA O=C1C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)c2ccccc21 2960337 DNXZREIECZYYIM-UHFFFAOYSA-N 427.258 6.174 30 50 IKEA CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 9472364 NAAMDRMAMWKSHD-QHCPKHFHSA-N 449.478 5.294 30 50 IKEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)c1 9559869 VBOMNYVAOUBMGG-MLGOLLRUSA-N 446.330 5.015 30 50 IKEA C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(CC)cc2c1=O 1177253 JBHYHQLOQCJRLG-UHFFFAOYSA-N 445.418 5.550 30 50 IKEA S=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)NC1CCCCC1 4209985 PTBOWZYEXAQCOP-OEAKJJBVSA-N 446.414 5.159 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccsc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 4658207 MZPAAWHGHGFLMU-SBUREZEXSA-N 445.544 5.045 30 50 IKEA CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 8385537 CTWBLRNUTHKPTJ-PYCFMQQDSA-N 434.536 5.401 30 50 IKEA O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 9559935 JUEYCOQFLNHMEV-CVDCTZTESA-N 427.475 5.622 30 50 IKEA CCCCCCCCCCCCOc1ccccc1NS(=O)(=O)c1cccc(N)c1 100813472 SGJFZXICOQEXOO-UHFFFAOYSA-N 432.630 6.369 30 50 IKEA CCCCCCCCCCCCCCCCN1S(=O)(=O)c2ccccc2S1(=O)=O 101017424 AGQGRGZESITICE-UHFFFAOYSA-N 443.675 5.861 30 50 IKEA CCCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772491953 NKJYZYWCGKSMSV-XEHVSYHUSA-N 442.640 6.360 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1OC 709951 CCSSORKAWNHSNJ-XRHLQHRESA-N 444.506 5.822 30 50 IKEA COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 1069853 DLBWWWZMDZWVOO-UHFFFAOYSA-N 426.925 5.730 30 50 IKEA O=S(=O)(/N=C(/SC(=S)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1184433 FGCAWINSZOLPHC-ZBJSNUHESA-N 431.991 5.584 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1 9560045 VMJSNTZIJYYPPK-YKSBVNFPSA-N 439.511 5.492 30 50 IKEA Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 16429473 KKEWDDSIGZQNBQ-OAHLVZFQSA-N 436.714 6.621 30 50 IKEA CN1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 20115449 FAVOOEYXDNBGBH-OTYYAQKOSA-N 447.170 5.193 30 50 IKEA Cc1ccc2nc(C)c(C(=O)/C=C\c3ccc(Br)cc3)c(-c3ccccc3)c2c1 22109027 DDDWLUNZOSDSIJ-PTNGSMBKSA-N 442.356 7.177 30 50 IKEA O=C1/C(=C\NCc2ccc(Cl)cc2Cl)Nc2ccc(Br)c(Cl)c21 100444444 KZROVECMBCWBLY-NTUHNPAUSA-N 432.532 5.649 30 50 IKEA CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1 101122790 UJTFFZSBTHJEGC-CMAIMYMYSA-N 435.611 5.490 30 50 IKEA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@@H]3CC[C@]21C 257350120 UXGWFWJQNSRBBQ-CNNJYEDQSA-N 426.685 7.895 30 50 IKEA CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 1158224 XFDNYZLPXAHAAD-UHFFFAOYSA-N 428.956 6.139 30 50 IKEA CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 5092538 KNSLAUYCFAAQEL-UZTOHYMASA-N 427.548 6.105 30 50 IKEA CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC 60195437 CJBMLKNLJXFFGD-UHFFFAOYSA-N 438.849 10.465 30 50 IKEA in-vitro C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 252430790 KAZZDRRNZVOQBJ-CHOJSVSXSA-N 441.402 7.030 30 50 IKEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 2114900 VMOSPCSOWBEFCJ-UOHDFPPJSA-N 428.532 5.038 30 50 IKEA biogenic C=CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)SC1=S 2977724 CYBJUOYFIFZCOW-IWIPYMOSSA-N 440.593 6.230 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1cccc(Br)c1 1171355 YTQYBNLISSVMAD-HSZRJFAPSA-N 433.349 6.307 30 50 IKEA C=CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c1 1777113 ARFHGHWYFBPQBN-UHFFFAOYSA-N 434.366 5.922 30 50 IKEA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1/N=C/c1c(F)cccc1Cl 15016614 AEVRAICOCQWWTI-CRDRIZJUSA-N 429.300 5.507 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 17056386 GYKFWZDWSXIVOD-IBGZPJMESA-N 443.286 5.068 30 50 IKEA CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1OCc1ccccc1Cl 1126862 OWEOKUOWFOPUEG-XMMPIXPASA-N 448.975 5.438 30 50 IKEA CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 4065177 DYIZXSBIONMLTR-DWXRJYCRSA-N 447.003 7.041 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 19535672 ADYCWNXEYXARFO-QHCPKHFHSA-N 435.951 5.687 30 50 IKEA CC(=O)Nc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1135007 KWZFNXJXMQGOAQ-KMRXNPHXSA-N 437.543 5.933 30 50 IKEA CC(C)(C)c1csc([C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CCO2)n1 170621101 MOPCDSXILNKFAP-QGZVFWFLSA-N 444.507 5.040 30 50 IKEA C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 2842042 MQCUGHOMRDCERI-NRFANRHFSA-N 444.512 5.181 30 50 IKEA Cc1ccc(S(=O)(=O)N/N=C(/Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 15637007 FZSZHDGXRAIPAP-DQSJHHFOSA-N 440.568 5.587 30 50 IKEA CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)C[C@@H](c2ccccc2)CC1=O 1076676 SYRXVJCQXNAJMR-OAQYLSRUSA-N 428.576 5.687 30 50 IKEA CCCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O 1902739 ACUHVRVAJDHVED-UHFFFAOYSA-N 442.555 7.029 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 5495200 MQYXUWHLBZFQQO-IKEKUZPUSA-N 426.729 8.025 30 50 IKEA in-vitro C=CCc1ccccc1OCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21 6394167 KDMBWUVJIVBDCL-PXLXIMEGSA-N 434.586 5.280 30 50 IKEA C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@@]3(C)[C@@H]1CC2 257348118 BNXIOYCVQJVXLJ-JVRLNNHWSA-N 434.617 6.332 30 50 IKEA COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 2578279 SJGXMTJLBAXGIP-ZVHZXABRSA-N 425.941 5.248 30 50 IKEA Fc1ccccc1/C=N/Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 16512906 HPNVEXWALREWGL-CVKSISIWSA-N 447.311 6.158 30 50 IKEA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@H]6O[C@H]6C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257350251 VXMOMCPHHMOJSD-QRLBPNHNSA-N 440.712 7.300 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC 669641 FDUYHIUOGCDUBX-XMMPIXPASA-N 434.536 5.257 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1OC 709632 SQPJLGCMLIETMA-QUGAMOGWSA-N 446.572 6.053 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 15836437 XDBFHSYJDSNEQP-JOCHJYFZSA-N 438.930 5.722 30 50 IKEA Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 2756813 UMMQOWRJBFAPFS-HDMKSOMJSA-N 427.718 7.871 30 50 IKEA C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@H](C1CCCCC1)Cc1ccccc1-2 4005643 KWQLHHKEKMZWLM-DEOSSOPVSA-N 442.628 6.457 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 11867658 RLMRDGMPZIOTPM-QDEBKDIKSA-N 425.799 5.503 30 50 IKEA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 20606255 YBSVIYLDKAMQIP-UONOGXRCSA-N 427.526 5.085 30 50 IKEA CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)OC1(C)C 219910903 VQLXKJLKLNGTQF-UHFFFAOYSA-N 445.371 6.750 30 50 IKEA O=S(=O)(O)CCCN1/C(=C\C=Nc2ccccc2)Oc2ccc(-c3ccccc3)cc21 334157151 JNVLGWGAWCKESX-SDHMEQEXSA-N 434.517 5.074 30 50 IKEA CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 1772491189 DKFBMBUPSRKNHY-JLHYYAGUSA-N 432.472 5.218 30 50 IKEA Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)c1 705786 SYFZHVLMBAGYCL-UHFFFAOYSA-N 447.610 6.450 30 50 IKEA O=C(/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 8742119 QDMZUWVXMJWTDD-WJDWOHSUSA-N 439.216 6.651 30 50 IKEA Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@@H]12 169684196 PPJFANUQDXSZTQ-INLZGFCBSA-N 426.516 5.656 30 50 IKEA CCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)N(C)C 169799267 LOEXGKXQUATTFB-UHFFFAOYSA-N 439.889 10.067 30 50 IKEA C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O 218112263 OITGNENIPHFEMQ-BIFQTZPZSA-N 439.467 5.094 30 50 IKEA biogenic CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257358207 SDPXLBMMNBJQCT-CQIJPNESSA-N 449.635 5.201 30 50 IKEA Cc1cc2c(cc1C)N[C@H](c1coc3ccc(Cl)cc3c1=O)C1=C(CC(C)(C)CC1=O)N2 4047478 SAMOLXWGCCRQHP-XMMPIXPASA-N 448.950 6.285 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S 22242066 JOGOVARKRNQNBZ-WOJGMQOQSA-N 436.385 5.960 30 50 IKEA CCOc1cccc(/C=N/Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)c1O 38187791 JOJIOOVINFSSSJ-BYEGDDEQSA-N 438.597 5.783 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 253502201 MQYXUWHLBZFQQO-DSNXNGCTSA-N 426.729 8.025 30 50 IKEA O=C1NC(=NCc2ccccc2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1 2049286387 FYANTEODNSPILX-UHFFFAOYSA-N 439.334 5.469 30 50 IKEA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 607796 QQODLKZGRKWIFG-ZTNFWEORSA-N 434.294 6.317 30 50 IKEA in-man COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2F)cc1 883132 LBODXLCIFUOJRU-YHAMSUFESA-N 432.470 5.953 30 50 IKEA CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1 5018446 ZMOJTPABCOWEOS-UHFFFAOYSA-N 431.709 8.675 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccccc1Cl)Nc1ccc(C(=O)c3ccccc3)cc1N2 8397122 AHGQKEJUFHKILQ-VWLOTQADSA-N 428.919 6.157 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC 9559911 HRGKDTWDANVPNH-HUUCEWRRSA-N 446.330 5.015 30 50 IKEA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c1 15072822 OTUDEMXREYNLEW-AREMUKBSSA-N 439.603 5.262 30 50 IKEA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 27547491 IIUOTKYMYVTEIO-FQEVSTJZSA-N 432.467 5.374 30 50 IKEA CC[C@H](C)O[P@@](=O)(O[C@H](C)CC)[C@@H](c1cccc(Br)c1)C(C#N)C#N 239165081 NKOFMRPMDSNOGU-OKTHZOHZSA-N 427.279 5.977 30 50 IKEA CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 2573750 HAAUAOQFPSNHAJ-LJQANCHMSA-N 442.968 5.054 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 9379704 XXDZLOJRLNTJLA-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Br)cc1 19721014 DGVQUIVMQBNTKQ-FPOVZHCZSA-N 434.333 5.491 30 50 IKEA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 19762478 ZWMDYDWSLZDAAN-CJFMBICVSA-N 431.532 5.008 30 50 IKEA COc1ccc(/C=C/C(=O)c2cccs2)cc1COc1ccccc1Cc1ccccc1 20608239 JAVKPTJWVRWIQX-FYWRMAATSA-N 440.564 6.823 30 50 IKEA O=[N+]([O-])c1ccc(-c2csc(NN=C(Cc3ccccc3)Cc3ccccc3)n2)cc1 45068174 JLTMRBGXWFMOHG-UHFFFAOYSA-N 428.517 5.972 30 50 IKEA Cc1cccc(N/N=C2/C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)c1 100543941 RVFSYHROSLFGEO-WEMUOSSPSA-N 437.528 5.338 30 50 IKEA CCCCCCCCC[C@@]1(O)[C@@H](CCC)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 227287744 MEFGTSQMHVIFOC-AZTRSOTFSA-N 435.696 7.996 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 631002 GVFVTHRQZMBLLI-YHAMSUFESA-N 444.918 6.048 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 1174863 VJZJITIIANLCTI-HXUWFJFHSA-N 428.504 5.269 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 1217703 PIKWZUCRTCRENM-QYBDOPJKSA-N 441.487 5.583 30 50 IKEA CCc1c(C)sc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)c1C#N 2875637 CBUXUPICCUPHSE-UHFFFAOYSA-N 445.426 5.064 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 16037492 HBTABMLBZYAMMQ-HJOGWXRNSA-N 437.524 5.041 30 50 IKEA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N/N=C/c3ccccc3O)n2)cc1OC 16671564 IIXDPFUYJOOTOY-JVWAILMASA-N 440.503 5.288 30 50 IKEA CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1 252430995 XLLVCEWUWMRFCJ-NZOCOZLTSA-N 443.635 6.570 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 720845 HDMIDZMGSQUFQA-XBBWARJSSA-N 446.506 6.031 30 50 IKEA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cc(Br)ccc2Cl)c1C#N 3613464 OKULUOBXHDJGKI-UHFFFAOYSA-N 441.734 5.162 30 50 IKEA O=[P@](O)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 9183437 ZUJLZYZTJCSSET-ZDUSSCGKSA-N 432.228 5.757 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 257347752 SUISKBUAOOSHAW-UTUHKOEASA-N 444.612 5.265 30 50 IKEA Cc1cc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2c2ccccc12 628291 ISUOZFJEVVUDDI-UHFFFAOYSA-N 447.589 5.124 30 50 IKEA C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@@H]23)CC1=O 257356408 HVPFVUHFUULZFU-ISVIALBYSA-N 434.693 5.641 30 50 IKEA N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 2261395 VPMIHQLYCNIERV-UHFFFAOYSA-N 448.345 5.312 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 8818436 KBIPPHDYJJXYAY-MHZLTWQESA-N 445.607 5.942 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 8837428 BXFAFNUBDSUWKZ-RUZDIDTESA-N 448.478 5.657 30 50 IKEA CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1 8974625 RKAPRONBLMDNBI-HMILPKGGSA-N 440.543 6.073 30 50 IKEA COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)ccc1OC(C)C 13568609 UEOHFARGAVGEPV-AEFFLSMTSA-N 439.939 5.140 30 50 IKEA CC1(C)OB(c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)OC1(C)C 207255813 WGAVHWLZSBXTLO-UHFFFAOYSA-N 445.371 6.750 30 50 IKEA N#CC1(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 247754977 VUAKNUODZRBLQK-DNVJHFABSA-N 441.943 5.686 30 50 IKEA C[C@@]12CC[C@@H](OS(=O)(=O)c3ccc(F)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257348116 BNXIOYCVQJVXLJ-AIQOFOBISA-N 434.617 6.332 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1857525277 LBERVHLCXUMDOT-SPXXJPMQSA-N 442.684 7.571 30 50 IKEA CC(C)CCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N 637575 AFIYHTHTXLEGNP-UHFFFAOYSA-N 433.899 5.085 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 4082571 ZVNIIVXBILHVGW-LMKMVOKYSA-N 435.354 6.973 30 50 IKEA CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 16426543 BINPVEMYXWENRX-XRHLQHRESA-N 444.962 6.718 30 50 IKEA CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 1421900 NWKGFKGZRJFJDX-HNNXBMFYSA-N 427.595 5.202 30 50 IKEA O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1cccs1 3622582 LYIAJHNBAJIGRX-VWLOTQADSA-N 436.536 6.085 30 50 IKEA COc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1OCc1ccccc1 9013313 NLZJLZCLMHGDIX-MFKUBSTISA-N 430.533 5.386 30 50 IKEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)c1 9559874 ZYDCFFHSFVTXPW-YVEFUNNKSA-N 446.330 5.015 30 50 IKEA O=C(C[C@H]1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1cccc(Cl)c1Cl 15746743 KPDRXVKNWQNJLV-OAHLLOKOSA-N 441.384 5.010 30 50 IKEA O=C(Cc1ccccc1)ON[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 3137404 NGEHLXNHZGFHNT-HNNXBMFYSA-N 443.541 5.359 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 12381904 QMJDXUNAWVEDGN-NIYFSFCBSA-N 426.516 5.836 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@H]2c1ccc(F)cc1 9315375 QBBPTIJQORIYBA-SANMLTNESA-N 440.518 6.279 30 50 IKEA O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 12562938 FDBMPPWRQYUEAE-JLHYYAGUSA-N 430.305 5.593 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 18137674 FCTUPJZLWWGATE-NFQMXDRXSA-N 426.491 5.746 30 50 IKEA C=CCOc1ccc2c(c1)C(=NNc1nc3ccccc3s1)c1cc(OCC=C)ccc1-2 20615555 HFJNYWPHKLIBQQ-UHFFFAOYSA-N 439.540 6.271 30 50 IKEA CCCCCCCCCCCCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O 100730585 HHCZZWYFIISLSW-UHFFFAOYSA-N 444.682 5.594 30 50 IKEA CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1O 857616 SNUMIEZPTBRLEA-VWLOTQADSA-N 434.536 5.344 30 50 IKEA C=CC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1NC(=O)Nc1ccccc1 2381323 RTWIZDYABLYMER-QPLCGJKRSA-N 426.545 5.746 30 50 IKEA CC(C)OC(=O)c1ccc(COC(=O)c2ccc(Oc3cccc(C#N)c3C#N)cc2)cc1 2844988 KXWMFKFDRLQCGX-UHFFFAOYSA-N 440.455 5.144 30 50 IKEA CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)s1 4083617 PZWAYNKZLXUSCB-MRDQGFSESA-N 430.573 6.299 30 50 IKEA C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S 12343661 LRZHHYIZOMOTIQ-WOJGMQOQSA-N 436.385 5.960 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 13319817 IDVCFAKZRPSEMC-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 18323443 MPDSXYRJWFCSBN-DWXRJYCRSA-N 428.488 5.209 30 50 IKEA O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 1015773 ZSWLOYHPSHLOFC-HZYJKNPPSA-N 435.936 5.505 30 50 IKEA C=CCN(CC=C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 9994663 MZAPZNQSLWJYLY-MRXNPFEDSA-N 442.650 6.027 30 50 IKEA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 16294162 YDGAXONAICYVCT-OAQYLSRUSA-N 426.438 5.312 30 50 IKEA O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(Br)cc1 100457313 WZKCMIFEDFBTBL-YDZHTSKRSA-N 441.350 5.636 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C 257346887 CYPQELKXBYBDOE-OTXPBSGTSA-N 446.628 5.154 30 50 IKEA C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 257424101 GESZMTVZGWZBPW-DXEKZAKYSA-N 442.728 7.306 30 50 IKEA biogenic Cc1cccc(C)c1NC(=O)CSc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N 4046255 SCBHTYSAPSMJED-UHFFFAOYSA-N 429.589 6.265 30 50 IKEA COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 4571385 UQVYYRJZJGTXQW-ZRDIBKRKSA-N 434.488 5.196 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)c1ccc(-c2ccc(C)cc2)cc1 101020071 XRXSLWSINBVLFM-UHFFFAOYSA-N 434.708 10.106 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772492432 LISUREDJGUCUNG-OUSHEJLUSA-N 439.640 5.677 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4064662 MQCRGRCXXRGJAF-RXFWQSSRSA-N 445.559 5.400 30 50 IKEA CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 8997103 QVVUBRKUPNRMHT-QHCPKHFHSA-N 435.593 5.206 30 50 IKEA COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 9264178 JPLOWEVPXSUXRA-SANMLTNESA-N 439.515 5.908 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(-c2cc(=O)n(C)n2C)cc1 100813107 SNLJVPGSYSHNPJ-UHFFFAOYSA-N 428.661 7.251 30 50 IKEA COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccc(Cl)cc2)cc1 4546663 BDJDWCPJUGITMR-RRPNLBNLSA-N 439.942 7.166 30 50 IKEA Cc1cc2c(cc1C)N[C@H](c1cc(Cl)cc(Cl)c1O)C1=C(CC(C)(C)CC1=O)N2 9462659 NXGKLYDNEOFGNI-OAQYLSRUSA-N 431.363 6.538 30 50 IKEA Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 9556352 DDCPLBVVDMUMTL-UHFFFAOYSA-N 445.441 5.817 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 18143246 GDCZHXZFINBTRP-DWXRJYCRSA-N 430.935 6.328 30 50 IKEA COc1cccc([C@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 893675 IQINLGKEWVTTPJ-HFJWLAOPSA-N 430.935 6.328 30 50 IKEA Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1F)C1=C(CC(C)(C)CC1=O)N2 4082201 WGXUZVDOIBYSGG-JOCHJYFZSA-N 443.360 6.427 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3C[C@@H]3O[C@@]32C1 257350154 VEEBKUQFPONGGR-MQFZAQGNSA-N 444.700 7.171 30 50 IKEA CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 1066552 TYMIGKASUDASBX-UZTOHYMASA-N 425.532 5.848 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1cccs1 1430887 IRGBDBQSGKBNNT-HNNXBMFYSA-N 436.602 5.724 30 50 IKEA COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2531220 HXYMPJOEQNIRAL-DHRITJCHSA-N 443.931 5.387 30 50 IKEA Cc1ccc(O)c(/C=N/n2c(-c3ccccc3C)nc3sc4c(c3c2=O)CCCC4)c1 2986743 DIEPOURRBYOICO-VULFUBBASA-N 429.545 5.208 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 9008063 HPKWGWGFCANSHR-RUZDIDTESA-N 447.535 5.784 30 50 IKEA O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccc(C(=O)c3ccccc3)cc1N2 9861360 OHMAFGPLYJZEIW-RUZDIDTESA-N 428.919 6.157 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 20606201 QMGBBSXTZDGPAP-HXUWFJFHSA-N 430.331 5.823 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 27532836 DRPXVZFRVWTWGG-OAQYLSRUSA-N 442.346 5.303 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 253531310 NDZYXAXWOZOQAQ-ZYNKDDGTSA-N 434.624 5.884 30 50 IKEA C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1 8872398 AQKNXGWCMBJCMB-XLNRJJMWSA-N 437.586 5.260 30 50 IKEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(Cl)cc2)CC1 19857508 WFBVEEJVGAWHOL-UHFFFAOYSA-N 443.982 5.206 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 872436 IGNKQYZXOGECOQ-XHCCPWGMSA-N 426.516 5.899 30 50 IKEA Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1Cl 1067582 LSVMWDGLIOOLQD-UHFFFAOYSA-N 429.756 5.703 30 50 IKEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 1123570 CJXMQLAXIVLDAD-QYBDOPJKSA-N 425.488 5.883 30 50 IKEA O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 4030937 KIFCNWJRTXNGKJ-ILUFSXPBSA-N 428.535 7.100 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(C[C@H](c3ccco3)CC2=O)N1 16294221 OYBXZWOJWFPKQS-SIBVEZHUSA-N 443.499 5.286 30 50 IKEA COc1cc(/C=N/Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)ccc1O 16677588 PYILQEFUPOGNQY-ZMOGYAJESA-N 449.308 5.220 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O 710625 FDVXNNIFAZBQQL-WGDIFIGCSA-N 442.515 5.389 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1OC 883386 BXJTUGWLCUHXTK-GDJIYFAZSA-N 440.543 5.992 30 50 IKEA COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 9379997 MALXMVHNCKIESU-JOCHJYFZSA-N 433.891 5.127 30 50 IKEA C[C@@H](O[C@@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 85473519 AFBDSAJOMZYQAI-VQTKTOELSA-N 437.355 5.628 30 50 IKEA CC1(C)OB(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)OC1(C)C 204215328 FCQPLZQSAKVCFH-UHFFFAOYSA-N 442.367 6.329 30 50 IKEA COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccs1 781600 CPBIHIHWHZSILW-UPCLLVRISA-N 437.561 5.070 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2Cl)nnc1-c1ccccn1 2544576 PXBIANDWWWPBAM-UHFFFAOYSA-N 439.755 5.461 30 50 IKEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 9993296 CZOXHFHTSMQAGM-OAQYLSRUSA-N 442.496 5.088 30 50 IKEA Cc1cccc(NC(=O)/N=C2/C(=S)N(c3ccccc3)C(=O)N2c2cccc(C)c2)c1 25693735 YPPPMHIBSQUBAE-QLYXXIJNSA-N 428.517 5.708 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccco2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 2844405 YVXMMMIGPJJACV-HFJWLAOPSA-N 449.522 5.656 30 50 IKEA CC(C)(c1ccccc1)c1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 6213073 VKMPUIGLVJRCNG-FDAWAROLSA-N 449.558 5.520 30 50 IKEA CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 13568551 VNLHLXBIHDGYKZ-WXTAPIANSA-N 430.573 6.515 30 50 IKEA COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)ccc1OC(C)C 13568608 UEOHFARGAVGEPV-WMZOPIPTSA-N 439.939 5.140 30 50 IKEA Fc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 252394420 JSDFGTCPPGRDHW-UHFFFAOYSA-N 446.132 5.324 30 50 IKEA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 253534210 PMBSWZWCNKVWLV-YWZZNCOXSA-N 442.684 7.139 30 50 IKEA C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 1848953749 UILXPFRZQGQVFT-YEQIKOIASA-N 442.546 6.174 30 50 IKEA biogenic O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 631004 GVFVTHRQZMBLLI-AKJBCIBTSA-N 444.918 6.048 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 38263478 FELCJAPFJOPHSD-VUFVRDRTSA-N 440.712 7.204 30 50 IKEA biogenic C/C=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 84618137 CQXVJDFZHGQKSV-MZQLRRPDSA-N 430.632 8.528 30 50 IKEA O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 98052696 DUXWIYXHHGNUJU-UHFFFAOYSA-N 431.254 5.270 30 50 IKEA in-vitro CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](C#N)[C@@]2(O)C1 118915791 IKAYYSYGCHKPAB-BQXLQTKJSA-N 443.716 6.987 30 50 IKEA C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 229885030 WOTSSRIGUXFNKR-ZCYQVOJMSA-N 427.460 5.402 30 50 IKEA CCOc1ccc(N=C(C)/C=C2\SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 334157275 SWONQMMWZNRXGB-CZRUQARZSA-N 430.573 6.118 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1 2865494 ICBFSKRAGIXFHD-HXUWFJFHSA-N 441.383 6.688 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 4199802 WDXYBELJSVHFQV-ZSEKCTLFSA-N 442.393 5.336 30 50 IKEA COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 9272169 JKITYMNYIXNJLT-YIXHJXPBSA-N 437.835 5.372 30 50 IKEA CCCCCCCCCCCCCCCCCCC(=O)N1CCC(C2CCOCC2)CC1 59663446 YFBHGXJENCZHMT-UHFFFAOYSA-N 449.764 8.303 30 50 IKEA CCCCCCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 100871959 BFDPYDCFLVDGIG-NKFKGCMQSA-N 443.678 7.128 30 50 IKEA CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 217910909 OSGKGPMIZSAPTI-QFIPXVFZSA-N 448.559 6.736 30 50 IKEA biogenic CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 752192 ZCUGSWXAZIKTEJ-HSZRJFAPSA-N 435.951 5.687 30 50 IKEA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)Nc2ccc(F)cc2)cc1 2597737 YYSNQYSUBGAVBC-CVKSISIWSA-N 445.523 5.008 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 3772462 WFCYVGXXJPBHNY-HHHXNRCGSA-N 445.607 6.086 30 50 IKEA COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 9065149 RIUCOGLEHBNCHB-NRFANRHFSA-N 427.928 5.078 30 50 IKEA Cc1ccc(C(=O)/C=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 16667372 AXWIXMAJZRTHCP-HNLAZJLASA-N 442.562 7.247 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O 100044734 LITUBCVUXPBCGA-WMZHIEFXSA-N 442.593 5.405 30 50 IKEA endogenous,in-man Oc1c(Br)cc(Br)cc1/C=N/c1cccc(Br)c1 100454401 KAKDXCHSIBMPGM-REZTVBANSA-N 433.925 5.430 30 50 IKEA CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@@H]12 230138111 WVXXEBLHRGPWQV-YXRNEHCBSA-N 446.635 6.498 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 252467472 NDZYXAXWOZOQAQ-DYCRQLQNSA-N 434.624 5.884 30 50 IKEA CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C 1857522929 OILFKPAESXOIIH-UHFFFAOYSA-N 434.348 5.777 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 1177711 QSNGWVCACHVZBJ-NRFANRHFSA-N 445.321 5.739 30 50 IKEA C[S+](C)[C@@H]1Cc2ccc3ccc(cc3c2)C[C@@H]([S+](C)C)c2ccc3ccc1cc3c2 25694277 WXIQQPIGBCBEGC-VSGBNLITSA-N 430.682 6.630 30 50 IKEA Brc1ccc(C=Nc2ccc(N=Cc3ccc(Br)cc3)cc2)cc1 254395946 ABIMDDIMIIGMLZ-UHFFFAOYSA-N 442.154 6.713 30 50 IKEA CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 1421899 LJJSPCAEEZFQQU-OAHLLOKOSA-N 445.585 5.341 30 50 IKEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2F)cc1 2706393 OTKTUPFXIZPPHC-SSDVNMTOSA-N 433.350 5.689 30 50 IKEA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 2784241 HRYVBDGISUPMBJ-SANMLTNESA-N 445.559 5.400 30 50 IKEA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6077273 IROPHWKZMNPUBU-KOSHJBKYSA-N 441.556 5.143 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@@H]21 18116178 MJWQZFQSWLNLBD-SANMLTNESA-N 448.522 5.688 30 50 IKEA C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 100685932 GTMJEAVXRNJUAA-RXVVDRJESA-N 429.383 5.193 30 50 IKEA Cc1ccc(-c2cc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)c3c(C)noc3n2)cc1 253430794 OCHKRGYPGJILDK-UHFFFAOYSA-N 425.492 5.005 30 50 IKEA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257358572 VEEBKUQFPONGGR-ZELSYXRPSA-N 444.700 7.171 30 50 IKEA O=C1C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)c2ccccc21 1169149 FKPFCSCWKNADTB-UHFFFAOYSA-N 445.721 6.309 30 50 IKEA COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccc(Cl)cc2)cc1 2549047 BDJDWCPJUGITMR-KAYWLYCHSA-N 439.942 7.166 30 50 IKEA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N1 8439450 FVDDBMFLRLHQSM-VWLOTQADSA-N 445.559 5.221 30 50 IKEA CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(Cl)c(OC(C)C)c(Cl)c1 8829909 BLHUVRPHLDLWRE-IBGZPJMESA-N 435.376 5.300 30 50 IKEA aggregator Brc1cccc(/C=N/c2ccc(/N=C/c3cccc(Br)c3)cc2)c1 101097562 TWSDGKLFGHULOB-RNIAWFEPSA-N 442.154 6.713 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 9993310 ISYJWWGJKBBYDV-HXUWFJFHSA-N 430.460 5.218 30 50 IKEA C=CCNC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 2107174 VRESCIRIFUWSIS-UHFFFAOYSA-N 445.009 5.972 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 8973180 LGCLOXHLFLSDOV-HOYKHHGWSA-N 437.926 6.035 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 16294218 OYBXZWOJWFPKQS-BCHFMIIMSA-N 443.499 5.286 30 50 IKEA C=C(C)Cn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 985911 BDJRADCDPIEVTP-HNNXBMFYSA-N 426.607 5.460 30 50 IKEA CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 1213742 LIPNXQLBCIZNOH-OZSVZHKOSA-N 445.544 5.250 30 50 IKEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 2190442 SAPYUMSWCLGZQY-RUZDIDTESA-N 447.531 5.027 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 14176820 ICDMLAQPOAVWNH-JRUKXMRZSA-N 431.661 6.449 30 50 IKEA in-vitro COc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2OC)cc1 17822021 HFSFGVIBVDLEPX-RNIAWFEPSA-N 434.408 5.021 30 50 IKEA CCCCCCCCC/C=C\CCCCCCCC(=O)CC[C@@H](O)COP(=O)(O)O 64858305 GEEKGNBYXJKPQB-ZXEGGCGDSA-N 448.581 6.234 30 50 IKEA in-vitro Cc1nn(-c2ccccc2)c(C)c1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 244678848 ILHIFKKJWXBAAR-UHFFFAOYSA-N 447.586 5.211 30 50 IKEA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1427813 IROPHWKZMNPUBU-UUOWRZLLSA-N 441.556 5.143 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)N(C(=O)C1CC1)c1ccccc1N2 4035913 MIWCWTRTLAOELW-KDYSTLNUSA-N 435.527 5.392 30 50 IKEA CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 16310190 SXSJPVXGWQMVCH-QRQIAZFYSA-N 442.494 5.890 30 50 IKEA COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 16805403 AQRMEMUNEMGHNS-UHFFFAOYSA-N 443.450 5.378 30 50 IKEA CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 22289059 OGRGSKKIWFNJRI-UHFFFAOYSA-N 443.330 5.123 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 78921851 RMMSTJFHPLJJDS-HTXNQAPBSA-N 433.589 7.553 30 50 IKEA Cn1c(=O)n(C)c2cc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)ccc21 756561 ZXFAIFYZBLBLBA-SANMLTNESA-N 437.543 5.340 30 50 IKEA N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccccc2)c(-c2ccc(F)cc2)n1 2845772 CNDJEGRUBVFCCK-UHFFFAOYSA-N 438.506 5.445 30 50 IKEA C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCc3ccccc3)c(OCC)c2)C1=O 2980522 MFCQJBVXEFPPQA-CJLVFECKSA-N 433.529 5.062 30 50 IKEA FC(F)=C(F)OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95676684 RJBJXVAPYONTFE-SCSAIBSYSA-N 432.054 5.666 30 50 IKEA in-vitro CC(=O)O[C@@H]1C=C2C(=O)C[C@H]3[C@@H](CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]34)[C@@]2(C)CC1 254302375 HTZDJVPKUOXQMG-GLGRMFGFSA-N 442.684 7.139 30 50 IKEA C=C(C)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 1833405 NPBOWTNVEQIBAF-OAHLLOKOSA-N 436.606 5.511 30 50 IKEA CN(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 9861331 DVWAKHSJMLPFLW-MHZLTWQESA-N 437.543 5.573 30 50 IKEA COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCC4)cc2OC)cc1 19840991 KYBXVAZYMIEPBT-UHFFFAOYSA-N 429.520 5.068 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(CC)cc3)c2)SC1=S 22257781 OADMRVSPHUKTMU-OQKWZONESA-N 439.602 5.484 30 50 IKEA COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2 2242922 NCOITTTVHHXZIC-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 2978063 ZKKNTWLVCALTMT-HSZRJFAPSA-N 447.608 5.946 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Oc2ccccc2)c1 9546457 YCESPSWTHZCRKN-VWLOTQADSA-N 447.534 6.417 30 50 IKEA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)cc1[N+](=O)[O-] 15836634 LMUZKRXGDJHSKX-LUAWRHEFSA-N 431.473 5.414 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(C(F)(F)F)c1 717035 RFBYMWAFDRFDDM-VLIAUNLRSA-N 447.478 5.302 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 9110022 KDWXDVAGMJZEAF-OAQYLSRUSA-N 448.316 5.540 30 50 IKEA CCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 9445523 AKXGPZLJNZNMHN-FXBPSFAMSA-N 443.499 6.057 30 50 IKEA COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)ccc1OC(C)C 13568606 UEOHFARGAVGEPV-FUHWJXTLSA-N 439.939 5.140 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)SC1=S 16156260 XNPVROXEFOOPBC-UNOMPAQXSA-N 431.966 5.315 30 50 IKEA O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)NC1CCCCC1)c1ccccc1 25580392 OHGMWFVOXWMEBJ-YZSQISJMSA-N 431.561 5.190 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 1221159 GLFGLAVYEGWMMO-AREMUKBSSA-N 445.559 5.228 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 5037458 FVWJYYTZTCVBKE-WUKVYDFWSA-N 442.728 6.997 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3cccs3)cc2O[C@@H]2CCc3ccccc32)C1 11967505 YJIAWGUJYZYZPS-HSZRJFAPSA-N 445.584 6.169 30 50 IKEA O=C(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100658701 GENXHGFFMLZNRU-UHFFFAOYSA-N 445.219 5.174 30 50 IKEA Cc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 2115827 FZULDKKSHIFTIT-UHFFFAOYSA-N 427.573 5.582 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 8415103 WYVWOVOWASGNHA-JOCHJYFZSA-N 438.930 5.722 30 50 IKEA COc1cc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)ccc1O 32614494 FPPIIWYNXSKSHB-YSMPRRRNSA-N 430.895 5.624 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 1129556 DGPWEHMZLRGBKU-NRFANRHFSA-N 433.847 5.458 30 50 IKEA O/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 2999297 PDHPYWNJTHUSSJ-LHSRNITLSA-N 429.303 5.349 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c2ccccc2cc2ccccc12 19535709 VDXADYOWHQEHPH-HHHXNRCGSA-N 439.555 6.160 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19830812 JHTBJUSVJWSFGY-NBGIEHNGSA-N 433.523 5.387 30 50 IKEA COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)OC1=C2C(=O)c2ccccc21 2139338 JXAHPKGSADSYCK-HSZRJFAPSA-N 449.300 5.651 30 50 IKEA biogenic O=S(=O)(/N=C(/N=C(/Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 6025915 KSAJPVALNWFCIF-JOSXGXAISA-N 440.524 5.348 30 50 IKEA CCN(CC)c1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n23)cc1 8932115 YPASWKKHVTXBDW-UHFFFAOYSA-N 439.607 6.846 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 9363607 YPIBYYRTHJTVPV-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)c1 9559867 VBOMNYVAOUBMGG-WBMJQRKESA-N 446.330 5.015 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O 16577983 CBNPQCAWVGCRDG-HXUWFJFHSA-N 443.341 5.385 30 50 IKEA CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1 50704706 PYIRSOQEEXDVIO-UHFFFAOYSA-N 445.010 7.968 30 50 IKEA CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 100332161 WJQDTAAXXWEWHT-NKFKGCMQSA-N 434.536 5.088 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257349384 NTPNMXXOGUTKLZ-DPPZTXQVSA-N 431.661 6.932 30 50 IKEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 732509 VMOSPCSOWBEFCJ-XCUDUSTGSA-N 428.532 5.038 30 50 IKEA biogenic CC(C)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C(C)C)cc4)cc3)cc2)cc1 2839326 FHCDUUMDYAMSLX-WXGDAXOSSA-N 444.622 9.102 30 50 IKEA C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1OC 245225950 AZMIHVADQVAYIW-UHFFFAOYSA-N 431.517 5.489 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 720679 GTMALCFWCWTLHG-WGDIFIGCSA-N 430.935 6.328 30 50 IKEA CCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N 100684584 KIRKIFVRLQTIHA-UHFFFAOYSA-N 446.680 6.020 30 50 IKEA CCCCCCCCCCC[C@H](C(=O)OCc1ccc(Cl)c(Cl)c1)[N+](C)(C)C 100690393 RHGVCOPZHLRSBG-JOCHJYFZSA-N 431.468 7.032 30 50 IKEA CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@@H](O)CC2)c(C(=O)O)s1 252462822 WPMJNLCLKAKMLA-UGLKCIBTSA-N 445.625 5.307 30 50 IKEA in-vitro CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(SC)cc2)C1=O 6489648 RZTQDOUJVFDNMR-ATVHPVEESA-N 431.966 5.606 30 50 IKEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)c1 9559871 ZYDCFFHSFVTXPW-PXAZEXFGSA-N 446.330 5.015 30 50 IKEA C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O 14711618 YLTPWCZXKJSORQ-FYSMJZIKSA-N 438.520 5.610 30 50 IKEA biogenic,in-vitro COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F 19761922 VNVRIFOIKKKMRY-OYHNWAKOSA-N 425.887 5.014 30 50 IKEA C=C[C@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(/C)COCc1ccc(OC)cc1 1501069174 QRKKLUUKPHEPNI-PKBQVVBGSA-N 436.658 5.855 30 50 IKEA CN1/C(=C2/C(=O)C(=O)C(C(=O)c3ccccc3)=C2c2ccccc2)C(C)(C)c2ccccc21 1772491537 OHSRUHUASSGPJB-ZZIIXHQDSA-N 433.507 5.157 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc12 666959 XQSQMDZQANDGKB-KDYSTLNUSA-N 437.539 5.765 30 50 IKEA CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 714061 PRXHHVROIKDXSY-MHZLTWQESA-N 427.544 6.557 30 50 IKEA C=CCNc1ncnc2sc(C(=O)N(C)Cc3csc(-c4cccs4)n3)c(C)c12 12039251 ZVUIOWTXGJDOGS-UHFFFAOYSA-N 441.607 5.055 30 50 IKEA C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cccnc2)CC1 15000475 JDVAIWOFEPGIBY-UHFFFAOYSA-N 440.016 5.184 30 50 IKEA C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 2510500 SDDVBGAFXOPTRO-UHFFFAOYSA-N 429.998 5.693 30 50 IKEA COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 2884804 MDGHAUNMDYNASG-UHFFFAOYSA-N 429.451 5.890 30 50 IKEA COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N)cc1 6405853 IJFPXVMYMODRCG-UHFFFAOYSA-N 434.948 6.135 30 50 IKEA C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@H](C)C2 17098720 HHPYCBDJNVOXNL-ZDUSSCGKSA-N 434.005 6.402 30 50 IKEA CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1145236 JYUVZCUGGYUEOC-AEFFLSMTSA-N 444.569 5.829 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 22216185 WZDGZFPTHVGXIH-OAQYLSRUSA-N 433.508 5.042 30 50 IKEA C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1 239331210 KHMPSGMVRIWTHT-ZCYQVOJMSA-N 427.460 5.402 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 257346689 KNJVWAVLNHNHKV-TUJPBSFRSA-N 430.654 6.502 30 50 IKEA C=CCNC(=O)[C@@H]1C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 1775975026 BFIGATMIZVPDFM-BJKOFHAPSA-N 429.564 5.370 30 50 IKEA N#Cc1c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCCC2 2069274 URUMDWQFFQDLQU-OAHLLOKOSA-N 434.801 5.098 30 50 IKEA O=C(Oc1cccc(/C=N/NC(=S)Nc2ccccc2)c1)c1ccc(Cl)cc1Cl 2542684 DFJNDTHWHCSTRR-ZMOGYAJESA-N 444.343 5.533 30 50 IKEA C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1ccccc1C 2544622 ATTPWVCDOBYQCR-UHFFFAOYSA-N 441.988 5.077 30 50 IKEA O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccccc1OC(F)F 2679266 KAVQFCLVDJOZRK-YCPBAFNGSA-N 431.851 5.262 30 50 IKEA CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 9042826 AYCGMPVRBWCDCJ-UHFFFAOYSA-N 432.911 5.560 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2F)cc1 12402405 AZXBZCYPCIUTBU-MHZLTWQESA-N 442.534 6.627 30 50 IKEA C=CCN1N=C(NC(=O)c2cccc(Br)c2)SC=C1c1ccc(Cl)cc1 25575644 CMPZTIUXXFTVLA-UHFFFAOYSA-N 448.773 5.337 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 253505648 VOETZVYTDQTIBX-MUIBDYHCSA-N 446.588 5.239 30 50 IKEA biogenic COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1O 718067 LEWZYXRJQLNBGU-DXPJPUQTSA-N 446.934 6.034 30 50 IKEA biogenic,in-vitro CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 1010067 AZLOQVQAYLALKF-HXUWFJFHSA-N 442.346 5.303 30 50 IKEA CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(NN)nc1 100813310 ZJTCTMIGNODAEI-UHFFFAOYSA-N 426.671 5.469 30 50 IKEA CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(N=C(O)Cc2cccs2)n1 328591442 XABQLSDYWKZMKC-OAQYLSRUSA-N 445.585 5.573 30 50 IKEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC 17145525 LYKOITBAFQOUKE-MFKUBSTISA-N 446.532 5.086 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1070620 VPXIKURZVDVKSA-KSFYIVLOSA-N 441.980 5.715 30 50 IKEA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1 1168294 QKMJRMXNJBXEJF-HSZRJFAPSA-N 436.502 5.516 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1cccc(Cl)c1 2597706 LAHALEPGAWZGLE-ZMOGYAJESA-N 427.888 5.019 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 4064495 XSNLCTYJONDVHU-AKJBCIBTSA-N 448.925 6.467 30 50 IKEA biogenic,in-vitro O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 4082576 ZVNIIVXBILHVGW-IVCQMTBJSA-N 435.354 6.973 30 50 IKEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 9043432 SDATYLAYECXQEA-YZSQISJMSA-N 428.561 6.580 30 50 IKEA CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 97950878 KVYUSCFINZSFTB-OAHLLOKOSA-N 434.622 6.578 30 50 IKEA O=C(/C=C/c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1 263640054 VAXFYLAHNCUINE-XCVCLJGOSA-N 437.889 5.889 30 50 IKEA COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 716884 OQSCTCYGPBIPDU-VWLOTQADSA-N 429.516 5.872 30 50 IKEA CCc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 1430888 JIHNHILMTGHDLC-LJQANCHMSA-N 430.573 5.589 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4c(O)ccc5ccccc45)c3c2C1 19893676 RJALSQWHMDZHMB-WODFAGORSA-N 444.604 6.537 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCCOc3cc(C)cc(C)c3)cc2)SC1=S 22228833 XNLHFROSRDJQDC-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1 84711703 QIBWSQJZKMUZAK-UHFFFAOYSA-N 431.801 6.667 30 50 IKEA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccccc1C(F)(F)F 100527715 GZXDMEWKKPAVHN-YZSQISJMSA-N 429.427 5.020 30 50 IKEA CCCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 100691673 WDZSLALZWSXTBV-UHFFFAOYSA-N 445.673 5.806 30 50 IKEA C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc(Oc2ccccc2)c1 239222140 ULCLEKMRWRWIDI-UHFFFAOYSA-N 445.566 6.200 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3/C(=N\[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257350182 VIIVBTDLDAKMPX-JJMRQQHCSA-N 430.677 7.740 30 50 IKEA C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@]1(O)C1=CCCC[C@H]1[Si](C)(C)c1ccccc1)C2(C)C 257355461 AUXKMQHVEKOAFZ-IHSWJCKASA-N 440.700 5.425 30 50 IKEA C=CCCCCCCCC[C@@]1(O)[C@H]2CC[C@@](C)(C2(C)C)[C@]1(O)CCCCCCCCC=C 257357953 QYSKLDWWBWCAAM-ZYVKACNBSA-N 446.760 8.518 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 8742399 QWEUJZVWVIGFFA-GOSISDBHSA-N 445.327 5.228 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc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c1ccc(OC(=O)NC)cc1 100971085 VKVOUWXECCYIHP-UHFFFAOYSA-N 432.649 7.605 30 50 IKEA Cc1ccc(C=NN=C2C(=C(O)C(c3ccccc3)c3ccccc3)C(=O)c3ccccc32)o1 2049286329 NIUOLHPWJOKCPA-UHFFFAOYSA-N 446.506 6.252 30 50 IKEA CCn1cc(CN(C)C/C(O)=N/c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1 20215339 RJXHFWUIUOYRMF-UHFFFAOYSA-N 438.384 5.362 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@@H]1CCC2=O 118919435 HESAJDXBMHQLJH-ZUBSSNFLSA-N 445.434 7.293 30 50 IKEA biogenic CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 672281 LOHBBIJNKKFBPB-UZTOHYMASA-N 427.548 6.105 30 50 IKEA CCc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 1432338 IJVGFXGSURVCEL-FQEVSTJZSA-N 444.600 5.979 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC 9007925 CFXRUWIAACZKTI-VWLOTQADSA-N 434.536 5.257 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C 19761827 DFPGCFXBBZYONE-CLOONOSVSA-N 431.532 5.008 30 50 IKEA O=[S@](c1ccc(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1)C(F)(F)F 1776003324 JERIMQVZKCFJCS-WVDZOPJMSA-N 425.369 5.408 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(Cl)cc2)o1 628604 ZCQCQARHSHQXHQ-UHFFFAOYSA-N 449.978 6.573 30 50 IKEA N#Cc1c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2F)sc2c1CCCC2 2088938 BRAMISPCCLCSJD-OLFWJLLRSA-N 443.503 5.869 30 50 IKEA CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 2790329 BYQRYXRKCRPQFJ-QPSGOUHRSA-N 433.267 5.299 30 50 IKEA C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1 16732246 KIHDCBXSHUIXFX-DEOSSOPVSA-N 443.499 5.185 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 18143424 UXXFGVKPOTVQKM-UZTOHYMASA-N 426.516 5.683 30 50 IKEA CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 109374826 WBMRVESQUZSWJJ-NXYZXBHKSA-N 433.533 6.690 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 10013729 IKGZULVYGBZODF-DEOSSOPVSA-N 447.554 5.134 30 50 IKEA C=CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(C)cc3C)c2)SC1=S 22229249 PRMBYFYCNYLGQL-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 64624382 YVBBRRALBYAZBM-UHFFFAOYSA-N 438.052 5.923 30 50 IKEA in-vitro CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253502153 LCHQKKCWNVVBHJ-QVAYHUNRSA-N 441.656 5.552 30 50 IKEA C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@@H]2CC[N@@+]1(Cc1ccccc1)C[C@@H]2C=C 253589895 YHNOHNGXUABVNJ-RFBHPXCPSA-N 425.596 6.090 30 50 IKEA COc1cc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 1215705 ZCEACTMKSLSULO-UZTOHYMASA-N 426.516 5.689 30 50 IKEA C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 2871686 NSMQBOKQDWPGQI-ZDUSSCGKSA-N 437.462 5.271 30 50 IKEA O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 4030935 KIFCNWJRTXNGKJ-NGBZPGHQSA-N 428.535 7.100 30 50 IKEA CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(C#N)c1C 16393216 FEKBIOLQGRQXGS-INIZCTEOSA-N 434.517 5.178 30 50 IKEA C[S+](C)[C@H]1Cc2ccc3ccc(cc3c2)C[C@@H]([S+](C)C)c2ccc3ccc1cc3c2 25694281 WXIQQPIGBCBEGC-HNRBIFIRSA-N 430.682 6.630 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CCC[C@@]5(C)CC[C@H]43)C2)cc1 245238995 DJKUHJBPRWSFHW-HFCOYQBISA-N 430.654 6.502 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 627439 DCHYFSAAGOEXQS-DEOSSOPVSA-N 431.532 5.043 30 50 IKEA Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 663922 NGPAODSZMFLCPQ-UHFFFAOYSA-N 439.890 5.544 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 709964 HJCKFKPMUDVFJX-BVZFJXPGSA-N 434.461 6.685 30 50 IKEA O=C(OCc1ccccc1)[C@H]([C@@H](SCc1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2274813 PNLJTDSOHFTNAV-ZEQRLZLVSA-N 446.528 5.531 30 50 IKEA COc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 16917745 YIIGEADLQIYKRE-UHFFFAOYSA-N 435.955 5.084 30 50 IKEA CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2 1151824 QBJZSIUZSHMAFI-HXUWFJFHSA-N 439.606 5.088 30 50 IKEA O=C(NCc1ccccc1)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCCC2 64859671 CRTIXRJWHKMWCH-STBIYBPSSA-N 440.568 6.166 30 50 IKEA in-vitro COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 717034 RFBYMWAFDRFDDM-JLTOFOAXSA-N 447.478 5.302 30 50 IKEA CCOc1ccc(N/N=C(/Sc2nnc(-c3ccccc3)o2)C(=O)c2ccccc2)cc1 25573118 AXRHLLGDYACKPE-SLEBQGDGSA-N 444.516 5.536 30 50 IKEA O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(OC(F)(F)F)cc1 100457318 BLYFWSRLWCELBW-LGJNPRDNSA-N 446.450 5.772 30 50 IKEA COc1cccc([C@@H](C#N)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1OC 768156031 IWCKINCAWCMPCR-HXUWFJFHSA-N 440.421 5.384 30 50 IKEA COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 861342 FAGKBBGHAXKAHP-QUGAMOGWSA-N 430.935 6.328 30 50 IKEA N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1 2846898 YIGYFSXEWJVNBV-UHFFFAOYSA-N 432.552 6.175 30 50 IKEA N#Cc1c(SCCN2CCCC2)nc2c(c1C(F)(F)F)C[C@H](c1ccccc1)CC2 8451254 QSTXVEFOWKZXOU-QGZVFWFLSA-N 431.527 5.432 30 50 IKEA CCCCCCCCCCCCCCCCOc1cc(C)c(S(=O)(=O)O)c(C)c1 82003319 HDYVMDKQADXKDL-UHFFFAOYSA-N 426.663 7.410 30 50 IKEA O=C(Oc1ccc(/C=N/c2ccccc2I)cc1)c1ccccc1 100499558 XWSBGEZRVXYYSH-HYARGMPZSA-N 427.241 5.261 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257349385 NTPNMXXOGUTKLZ-HBCUIUHXSA-N 431.661 6.932 30 50 IKEA Fc1ccc(-c2nc(-c3ccccc3)c(/N=C(\c3ccccc3)N3CCCCC3)s2)cc1 2050025063 QVFMCHLDAJNSGR-QCWLDUFUSA-N 441.575 7.180 30 50 IKEA Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 681725 MWVFFRFOJIOESC-NIYFSFCBSA-N 425.488 5.883 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1 716971 HVUWVUHNSBZCNF-HSZRJFAPSA-N 437.486 5.312 30 50 IKEA Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1 1201649 LSQGSDDXGORWJA-HHHXNRCGSA-N 439.559 5.411 30 50 IKEA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 2062029 ZWJUESPZACRXLF-DEOSSOPVSA-N 449.522 5.052 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 16034260 TZXVUJFCIMGZSW-NXCFDTQHSA-N 449.485 5.119 30 50 IKEA CC(C)(C)c1csc([C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CCO2)n1 170621100 MOPCDSXILNKFAP-KRWDZBQOSA-N 444.507 5.040 30 50 IKEA CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 239309873 HWIHXMLIRVYVIF-QFZRFWILSA-N 438.612 6.248 30 50 IKEA C=CCOc1ccc(C(c2ccc(OCC=C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N 1857775604 SKGKCXSLUVYHHQ-UHFFFAOYSA-N 446.391 5.391 30 50 IKEA C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)Oc1ccc(C(C)C)cc1 17095676 HZBVHBGKSMFTNF-QGZVFWFLSA-N 428.001 6.673 30 50 IKEA CC(C)COc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 19645717 LBKMJNJDCYLPPQ-BRJLIKDPSA-N 447.387 7.093 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC 669643 FDUYHIUOGCDUBX-DEOSSOPVSA-N 434.536 5.257 30 50 IKEA C=CCc1cccc2cc(C(=O)Nc3cccc(-c4cn5cccc(C)c5n4)c3)c(=O)oc12 1064096 WVDBOGPSMQHNLU-UHFFFAOYSA-N 435.483 5.397 30 50 IKEA CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O 2062836 OZTWMMZAKPMWIH-UHFFFAOYSA-N 427.928 5.966 30 50 IKEA Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(-c3ccccc3)cc1)cn2Cc1ccccc1 4542298 JVCBLRYKQIYIIC-UHFFFAOYSA-N 431.559 6.144 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 8035045 FNPHNLNTJNMAEE-HSZRJFAPSA-O 428.678 6.341 30 50 IKEA endogenous,in-man CCOC(=O)c1sc(NCC(C)C)nc1CSc1nc(C(F)F)cc(C)c1C#N 20607345 VEZTXCBXSXCHGV-UHFFFAOYSA-N 440.541 5.193 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O 710627 FDVXNNIFAZBQQL-MRDQGFSESA-N 442.515 5.389 30 50 IKEA CCc1c(C)sc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c1C#N 1073486 HYDGSNIAIWJAEE-UHFFFAOYSA-N 426.545 5.970 30 50 IKEA C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccc2c(c1)OCO2 19647797 XWUWLDRWYJTVKT-UHFFFAOYSA-N 448.573 5.584 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 257348102 BKOGUJNRCSWUNA-CAMDWXRESA-N 446.653 5.473 30 50 IKEA CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 1066558 TYMIGKASUDASBX-PPHZAIPVSA-N 425.532 5.848 30 50 IKEA O=C1c2ccccc2N[C@@H](c2cccc3cccnc23)N1/N=C/c1cccc2cccnc12 8397914 WPVWBYOJTFBRAC-FYFIDXDESA-N 429.483 5.384 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 19643774 VYWAPTRTHADXDU-SANMLTNESA-N 445.559 5.433 30 50 IKEA CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 118918052 HDTQUHRXMVKWMI-XQBPZEDMSA-N 442.728 8.638 30 50 IKEA C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 257424102 GESZMTVZGWZBPW-IQJHMLKPSA-N 442.728 7.306 30 50 IKEA biogenic CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl 1079568 WVLPDWFBZYBTDB-QGZVFWFLSA-N 432.322 6.296 30 50 IKEA N#Cc1c(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CCCC3=O)sc2c1CCCCC2 1430169 VZVPKTLQQRMNGH-KRWDZBQOSA-N 434.536 5.555 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 6378665 XYZRQGMWCWQDSS-ZHZULCJRSA-N 446.484 5.292 30 50 IKEA CCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 8443854 XBPUHAZGAJUOGE-AREMUKBSSA-N 432.564 6.028 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 9312224 LJOHDXCOSBONGV-LJQANCHMSA-N 445.544 5.425 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)NCc1ccco1)c1ccccc1N2 12652161 FZEASFVXNGYIKW-XMMPIXPASA-N 447.922 5.823 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S 22241950 COVOOJUONFCUBA-WOJGMQOQSA-N 436.385 5.960 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4cccc5ccccc45)c3c2C1 38206506 XGARXZOHWZUNPN-AMUFHYMTSA-N 428.605 6.832 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 101019755 BTRRJBQMDMYZLY-UHFFFAOYSA-N 435.696 9.554 30 50 IKEA N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)cc1 169378703 DPAFRRDWQAJRKS-UHFFFAOYSA-N 429.435 6.679 30 50 IKEA CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4043999 LPRZIIKGLMNTQR-RLWLMLJZSA-N 444.575 5.067 30 50 IKEA CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC 8437757 PGIBJVOPLXHHGS-UHFFFAOYSA-N 446.672 8.282 30 50 IKEA in-vitro CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 2784247 YNMSAXPRGZAOGJ-NTKDMRAZSA-N 435.951 5.655 30 50 IKEA CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 13568630 NHFCPFSRZFVRAF-RXVVDRJESA-N 447.575 5.396 30 50 IKEA Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C\c3cccc4ccccc34)cc2)c(C)c1 100112335 UGKHSNURYKHSKY-PKAZHMFMSA-N 429.541 6.283 30 50 IKEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 2894309 MZFAGHRXVPACTI-HXUWFJFHSA-N 432.358 5.150 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC 14252121 YYMMCKTYZLLVOG-SEYXRHQNSA-N 447.660 7.688 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 257350202 VOPZSPZAIPUPAF-CRMXZAKTSA-N 444.637 5.681 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 669679142 ZGLHBRQAEXKACO-XJHCCKTRSA-N 428.657 5.727 30 50 IKEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 708826 VEMXZDDCIZHGKV-BKMJKUGQSA-N 443.543 5.044 30 50 IKEA biogenic COc1ccccc1[C@@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 1174796 TUNPVMHUQVHRPP-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 2438011 HMTIQNNTOTXJFD-UHFFFAOYSA-N 446.532 5.034 30 50 IKEA Cc1ccc([C@@H](/N=C(/O)c2cc(F)ccc2I)c2ccccn2)cc1 328589870 LVHIDSGPROTLLZ-LJQANCHMSA-N 446.263 5.228 30 50 IKEA COc1ccccc1CN(Cc1cc(Cl)ccc1OCC#N)c1ccc2nc(O)[nH]c2c1 744409370 OSOJYRHNICHJMI-UHFFFAOYSA-N 448.910 5.040 30 50 IKEA CN(C)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 1421738 CKRGZYBCQPGMIS-CCLHPLFOSA-N 434.539 6.457 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@@H]2c1ccccc1 1430164 TWQHCAPSVFNBOC-LJQANCHMSA-N 444.600 6.052 30 50 IKEA Cc1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1-c1ccc(F)cc1 2115604 CTPVCYNYAQQFDL-UHFFFAOYSA-N 426.341 5.682 30 50 IKEA C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@H](C1CCCCC1)Cc1ccccc1-2 2468789 KWQLHHKEKMZWLM-XMMPIXPASA-N 442.628 6.457 30 50 IKEA Clc1cc(Cl)c(N/N=C/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 2173442 MKJCDVSPURRUAP-NAFFZOIDSA-N 444.964 7.103 30 50 IKEA O=C(/C=C/c1ccccc1F)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 9367622 GRBYMNOBSAWKHU-JLHYYAGUSA-N 448.291 5.993 30 50 IKEA CCCCCCCCc1nnc(NC(=O)c2ccccc2I)s1 2848948 WTOCXUUQXCXJAH-UHFFFAOYSA-N 443.354 5.298 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1 4046890 IBSKXRMGHUTOPQ-IIMAJNMQSA-N 446.550 6.828 30 50 IKEA COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 4794449 QODACFIISUFECI-LJQANCHMSA-N 427.928 5.566 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 9363624 SVVJYRCQROMLLJ-HXUWFJFHSA-N 434.289 5.232 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@H]21 18116176 MJWQZFQSWLNLBD-AREMUKBSSA-N 448.522 5.688 30 50 IKEA CC(C)[C@H](OC(=O)[C@H](/N=C(/O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 328592494 YJLIOOYMVZHWAN-PKTZIBPZSA-N 448.494 5.078 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1183823 DWULHNLCQUHIJD-IVZQSRNASA-N 427.591 5.370 30 50 IKEA N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCC(=O)c1ccc(F)cc1 8856208 LLTKTNGIQAZFEI-UHFFFAOYSA-N 438.527 6.791 30 50 IKEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 239203317 SDATYLAYECXQEA-UHFFFAOYSA-N 428.561 6.206 30 50 IKEA COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc2ccccc2s1 6459052 IYWQSLCVXDSORP-OAQYLSRUSA-N 442.496 5.088 30 50 IKEA COc1cc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)ccc1OCc1ccccc1 9330881 FUMOKTCWMFVFAP-MFKUBSTISA-N 430.533 5.386 30 50 IKEA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1ccc(C#CC(C)(C)O)cc1 12205353 RVSHLBILZCVJDH-XMMPIXPASA-N 427.592 5.106 30 50 IKEA C=CCN1C(=O)[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 12379080 XBTHNDWNMHJLBQ-BVAGGSTKSA-N 441.918 5.269 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]12C 254385791 CYPQELKXBYBDOE-ONZRNCOXSA-N 446.628 5.154 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 720681 GTMALCFWCWTLHG-MRDQGFSESA-N 430.935 6.328 30 50 IKEA N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(F)c1 2882047 XUMJXVNIGRPGQC-UHFFFAOYSA-N 426.234 6.065 30 50 IKEA Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C 9184906 HFIPUAZTFXUPLH-SFHVURJKSA-N 442.899 5.335 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S 2847968 FMCNZGJMNDMYCL-WQRHYEAKSA-N 436.385 5.960 30 50 IKEA C=CCCCCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 498049338 NYZBBPVAHAVGKJ-NDEPHWFRSA-N 449.591 6.675 30 50 IKEA O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cc(=O)c3ccccc3o1)Nc1ccccc1N2 711581 KBXAJVANAVAWLX-WZQKQDCOSA-N 440.524 5.834 30 50 IKEA O=C(Oc1ccc(F)cc1C(=O)/C=C/c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 9334821 DSSNUZRXMXKFCB-UXBLZVDNSA-N 425.799 5.503 30 50 IKEA CC(C)[N@+](C)(CC#C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 247693267 XMLJZMMZIZSGTD-DLQAATPKSA-N 432.628 6.143 30 50 IKEA biogenic C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O 257355244 ZGLHBRQAEXKACO-DVYFRBSJSA-N 428.657 5.727 30 50 IKEA C[C@@]12CC[C@H]3[C@@H](CCC4=C/C(=N\Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@@H]1CCC2=O 1857624614 HESAJDXBMHQLJH-FZLHCUHWSA-N 445.434 7.293 30 50 IKEA biogenic C=CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1794885 KSEGLGJSSBNJML-UHFFFAOYSA-N 428.601 6.147 30 50 IKEA biogenic C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S 2856309 DDODSLLZVIGQSE-LTGZKZEYSA-N 425.575 5.230 30 50 IKEA COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 8450431 KAHOQLSJMYOJGP-KGENOOAVSA-N 444.443 5.040 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCCOc3cc(C)ccc3C)cc2)SC1=S 22229182 VNBFQWNAWVFDTE-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA O=[N+]([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)c(Cl)c1 25693517 PBVKJILOCKCHAT-ASIDMNOUSA-N 443.246 6.311 30 50 IKEA O=C(/C=C/c1cccc(O[C@H](C(=O)O)c2ccccc2)c1)c1cnn(Cc2ccccc2)c1 1875322997 RFJJSHNBEJRPLA-BOMYWPOKSA-N 438.483 5.032 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1ccccc1 1063158 JKBDAXQCQJGYKE-UHFFFAOYSA-N 427.451 5.760 30 50 IKEA C=CCn1c(SCc2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 2836340 UUJOTYKWNGAXFM-UHFFFAOYSA-N 431.315 5.094 30 50 IKEA Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1 11617295 YXBIJBVXZZGCDK-NTCAYCPXSA-N 428.329 6.869 30 50 IKEA C=CCCC(=O)N[C@@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 12242910 JKSADICZNIGJLM-INIZCTEOSA-N 433.021 5.737 30 50 IKEA CC(C)(C)c1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O 12381543 XOPUESJIOIAWEL-PKAZHMFMSA-N 428.020 5.797 30 50 IKEA C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 33315759 DRGHAVSWFHPYRO-KGENOOAVSA-N 431.586 5.543 30 50 IKEA C=CCCCCCCCC[C@]1(O)[C@H]2CC[C@@](C)(C2(C)C)[C@@]1(O)CCCCCCCCC=C 216543907 QYSKLDWWBWCAAM-SYKYGTKKSA-N 446.760 8.518 30 50 IKEA CCCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772491950 NKJYZYWCGKSMSV-PJGWXIGNSA-N 442.640 6.360 30 50 IKEA COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 720199 WVEJDHWOZRMKDJ-JOCHJYFZSA-N 426.944 5.893 30 50 IKEA CC1(C)C[C@H](n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 2350870 CNXKGAYZXKRWOO-GOSISDBHSA-N 435.593 5.024 30 50 IKEA biogenic C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 29551438 ZGLHBRQAEXKACO-QEGQQYMASA-N 428.657 5.727 30 50 IKEA CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)O 101012118 SHERVRVXWWTRDL-UHFFFAOYSA-O 426.750 8.359 30 50 IKEA CCCCCCCCS(=O)(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 109879169 SYUOSPPTWRIEBK-JJIBRWJFSA-N 437.005 5.533 30 50 IKEA COc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c2ccccc12 2834344 KASOQDUDWOBRST-UNOMPAQXSA-N 425.962 6.406 30 50 IKEA C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 2849137 VYZFQUOROMORID-UHFFFAOYSA-N 449.363 5.081 30 50 IKEA Cc1cc(=O)oc2c(/C=N/Nc3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(O)ccc12 8399120 PNORUVCVLCSBBV-LQKURTRISA-N 448.482 5.377 30 50 IKEA CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 9013310 WSUOWPUTAGHNMG-PCLIKHOPSA-N 429.549 5.135 30 50 IKEA COc1ccc(C(=O)/C=C/c2ccc(OC)c(CSc3nc4ccccc4s3)c2)cc1 15767633 NWADAAJTZZPBKO-NTUHNPAUSA-N 447.581 6.502 30 50 IKEA COc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 33912216 OAJMJRWJQMVKLI-QDJRPKQISA-N 445.569 5.874 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O 40165180 ZOOLJLSXNRZLDH-GDCKJWNLSA-N 436.526 5.037 30 50 IKEA endogenous,in-man C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 252430700 GAKVNINHIOJQFK-NTNOTESOSA-N 442.477 6.410 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257349273 MXIKNOBYVNLDDR-YNWXXKOKSA-N 430.677 7.378 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 709499 KMNOZBRXYDIKND-IQGLISFBSA-N 434.461 6.685 30 50 IKEA NC1=C(C(=O)c2ccccc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1c1ccccc1 1126438 DEYAMEJWYONLPR-HSZRJFAPSA-N 426.541 5.412 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc3ccccc23)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 1445427 SDLIEYULIJAVBE-ZNZIZOMTSA-N 431.539 5.982 30 50 IKEA CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 9089786 DXLZMYFMUFHSPF-PCLIKHOPSA-N 429.549 5.135 30 50 IKEA COc1ccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1OC 13881976 YTYRJYOMLKEXSL-YSURURNPSA-N 425.407 5.431 30 50 IKEA COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 15837159 ZOTOCPNECSZKGW-QINSGFPZSA-N 425.444 5.352 30 50 IKEA C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 36026020 MNOLWTJPNGKKBZ-FXVMGJAWSA-N 448.364 5.216 30 50 IKEA CCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCCCC 78685645 NKTVKUMRQOCZDY-PMERELPUSA-N 438.825 10.920 30 50 IKEA C=CC(=O)OCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 169795901 GVDAUHCFCTZXEL-UHFFFAOYSA-N 432.176 5.440 30 50 IKEA N#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2060630 KUJYAGWKVLBMSY-UHFFFAOYSA-N 441.600 5.527 30 50 IKEA biogenic COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1OCc1ccccc1 19879485 YUJRDBAFISFXRY-VUTHCHCSSA-N 443.591 5.043 30 50 IKEA CC/C=N/Nc1ccc(S(=O)(=O)CCCCCCCCCCCCCCCC)cc1 102313770 IGABVRURLYABEO-XTCLZLMSSA-N 436.706 7.749 30 50 IKEA C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 1791344 ZLPXLILHGYTHOS-XMMPIXPASA-N 441.556 5.856 30 50 IKEA S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccc(-c2ccccc2)cc1 13583145 MXVRVSJUBMZXDA-OEAKJJBVSA-N 435.350 5.919 30 50 IKEA C=C1C[C@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4/C[C@@H](O)C[C@H](O)C4=C)CCC[C@@]32C)OC1=O 34012092 SAODSJHDCZTVAT-CZADFQNYSA-N 426.597 5.025 30 50 IKEA in-vitro COc1ccc(-c2nc(C#N)c(NCc3ccc(Oc4cccc(Cl)c4C)cc3)o2)cc1 2050025103 TWESJFYZHPFMFS-UHFFFAOYSA-N 445.906 6.588 30 50 IKEA CC(=O)Nc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n23)cc1 634583 FGSMCNSAGSLONI-UHFFFAOYSA-N 445.526 5.960 30 50 IKEA C[C@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2790829 ZXFJQVARNFMMEO-CHWSQXEVSA-N 449.418 5.005 30 50 IKEA CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 4065167 DYIZXSBIONMLTR-HFJWLAOPSA-N 447.003 7.041 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 9042936 OLWBKSRHNUZJJA-SANMLTNESA-N 446.547 5.604 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)n1c2ccccc2c2ccccc21 79703235 JSIDQRIEQXSCGV-UHFFFAOYSA-N 433.680 9.696 30 50 IKEA CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@H]6O[C@H]6C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 257350250 VXMOMCPHHMOJSD-CUIZDHDASA-N 440.712 7.300 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 9043171 XMCCXPYRDDZXTN-FQEVSTJZSA-N 439.298 5.167 30 50 IKEA COc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O 13915242 QTTXEKJTTJHPLC-MKMNVTDBSA-N 429.712 5.253 30 50 IKEA O=C1Nc2ccccc2/C1=N\Nc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 9444025 KTLMUCNNSHYFAO-UHFFFAOYSA-N 425.517 5.005 30 50 IKEA O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1cccs1)c1ccc(F)cc1 11867662 XXYCLQLOGZYENR-CMDGGOBGSA-N 431.282 5.765 30 50 IKEA CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 12149824 ABCAFUMKOZACJB-UHFFFAOYSA-N 446.550 5.993 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 18286047 HPNULZLDPIMLNF-QLXKLKPCSA-N 430.935 6.328 30 50 IKEA CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl 97950708 ALBQGYWPKWMBCT-INIZCTEOSA-N 438.852 5.454 30 50 IKEA O=C(OCc1ccccc1)[C@@H]([C@@H](SCc1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2274812 PNLJTDSOHFTNAV-RPWUZVMVSA-N 446.528 5.531 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8809717 TZXVUJFCIMGZSW-ZNZIZOMTSA-N 449.485 5.119 30 50 IKEA O=c1[nH]c2ccccc2cc1/C=N\Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 32625324 BXODHCGWTZBGSM-WGARJPEWSA-N 425.879 5.238 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(C(C)=O)cc1S(=O)(=O)O 101016718 IWSLBKISUIJTCI-UHFFFAOYSA-N 440.646 6.996 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccc1F 1215624 IBOSBZHLMPPZOS-UHFFFAOYSA-N 437.443 5.570 30 50 IKEA C=CCNC(=O)c1c2n(c(C)cc1=O)-c1ccc(Cl)cc1S[C@H](c1cccs1)C2 14981578 NYQMLHNSJUFLNG-FQEVSTJZSA-N 442.993 5.166 30 50 IKEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1csc(C)c1-c1ccccc1 17102726 GKNKRMPKOLDLDP-UHFFFAOYSA-N 438.622 5.319 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101014022 ABLUJDWBVAMHQJ-UHFFFAOYSA-N 431.539 8.474 30 50 IKEA CCCCCCCCCCCCn1nnnc1/C(=N/OCc1ccccc1)C(=O)OCC 102320628 IQJMPXHAWPXVRM-ROMGYVFFSA-N 443.592 5.078 30 50 IKEA N#Cc1nc(-c2cccc3ccccc23)oc1S(=O)(=O)Cc1ccc(Cl)cc1Cl 170623865 YAFNJFIUBLLUEG-UHFFFAOYSA-N 443.311 5.647 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 666744 PPJAPMPUIWUORI-CJFMBICVSA-N 449.978 5.901 30 50 IKEA C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 2452954 NRWGAGZCBXLWJK-UHFFFAOYSA-N 449.363 5.081 30 50 IKEA CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 16426549 BINPVEMYXWENRX-MYUZEXMDSA-N 444.962 6.718 30 50 IKEA C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 100685928 GTMJEAVXRNJUAA-GHTZIAJQSA-N 429.383 5.193 30 50 IKEA CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)OC1(C)C 203274374 VZMLUIPYIYNRGP-UHFFFAOYSA-N 442.367 6.329 30 50 IKEA COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 252694479 LHZZMHLXKOFUGQ-QCOWYRHRSA-N 448.559 5.477 30 50 IKEA biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257358570 VEEBKUQFPONGGR-LIENWKSCSA-N 444.700 7.171 30 50 IKEA C[C@@H](C/C(O)=N/C[C@@H](C)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 328596274 ACMXXXDIHBGZSY-DLBZAZTESA-N 445.629 6.030 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)o2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 821074 BMNWLYWOLFZPFA-NFQMXDRXSA-N 445.559 5.826 30 50 IKEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1147915 AWIYDOPOGWXPKE-NSYGIPOTSA-N 429.451 5.713 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(Br)cc1 2030037 QAWOXEBCEZIUIC-DEOSSOPVSA-N 432.361 6.912 30 50 IKEA C=CCN1C(=O)[C@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 12379079 XBTHNDWNMHJLBQ-ZEQKJWHPSA-N 441.918 5.269 30 50 IKEA C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C 13448419 YBCYJDNOPAFFOW-XOAARHKISA-N 437.587 5.429 30 50 IKEA in-vitro COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 19762664 PZLCEOCVSXGAHN-QHCPKHFHSA-N 437.923 5.060 30 50 IKEA Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)o1 864952 DRRRJIXDFCOCNZ-RUZDIDTESA-N 426.516 6.041 30 50 IKEA COc1ccccc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 1174797 TUNPVMHUQVHRPP-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl 1240489 YPOKFCMALMBUBT-JOCHJYFZSA-N 429.347 6.156 30 50 IKEA CC(C)(C)C1CCC(OC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 4689333 GUYBZSDNFAZOAG-UHFFFAOYSA-N 430.614 5.755 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4cccc([N+](=O)[O-])c4)c3c2C1 12464748 GIMBHBUJZDYZDL-HEOQCTJZSA-N 437.569 5.977 30 50 IKEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 16447544 JEOYTJHJEPVVGE-QLXKLKPCSA-N 428.463 5.534 30 50 IKEA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccc(F)cc1 22239197 AENRVMIGPUKJTE-KAMYIIQDSA-N 447.307 6.337 30 50 IKEA O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)c3ccccc3)ccc1N2 681768 JRAKLIMXZQJKME-RUZDIDTESA-N 439.471 5.412 30 50 IKEA COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 4252492 GMVRRASQHIYZQN-ZRDIBKRKSA-N 434.488 5.196 30 50 IKEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2c3ccccc3cc3ccccc23)cc1 16789657 WPSSPCAABJONCJ-WGOQTCKBSA-N 439.544 5.517 30 50 IKEA CCCCCCCCCCCCSC[C@@H](O)Cn1c2ccccc2c2ccccc21 100659887 LCOXIBFUFALKBG-QHCPKHFHSA-N 425.682 7.810 30 50 IKEA CCCCCCCCCCCCCCSC(=N)CCCCCCCCCCCCC 100989506 PISHCFDHKPDGDY-UHFFFAOYSA-N 439.838 11.099 30 50 IKEA CC1CCN(/C(=N\c2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)CC1 2050024967 KWEKUHLPPXXPCO-BXVZCJGGSA-N 437.612 7.287 30 50 IKEA COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 666735 TZHQCUTUDAQUHL-QFQXNSOFSA-N 445.559 5.256 30 50 IKEA Cc1ccc(SCc2cc(=O)[nH]c(/N=C(/N)Nc3ccccc3-c3ccccc3)n2)cc1 2326231 MIIGJRQMVQAZKD-UHFFFAOYSA-N 441.560 5.096 30 50 IKEA CCCCN1C2=C(C(=O)CCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1c1ccccc1C2=O 2826398 BCYMOPRIXVTDCA-QFIPXVFZSA-N 428.488 5.409 30 50 IKEA CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 8995347 DNXSRZULBGSFSP-MNNSJKJDSA-N 437.587 6.512 30 50 IKEA CCOc1ccc(N=C(C)/C=C2\SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 334157278 SWONQMMWZNRXGB-XLXDYZCMSA-N 430.573 6.118 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 666628 IYGDBOCEZSZGLS-DEOSSOPVSA-N 436.596 5.233 30 50 IKEA Cc1ccccc1C(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 1114661 WBTLJBPZANYRTJ-UHFFFAOYSA-N 428.484 5.342 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 1123569 CJXMQLAXIVLDAD-WXTAPIANSA-N 425.488 5.883 30 50 IKEA CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 2062842 XEAWJRMTQCYSMO-UHFFFAOYSA-N 441.955 6.438 30 50 IKEA CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 9861353 CNXAMYHANVQIQJ-AREMUKBSSA-N 440.568 6.229 30 50 IKEA CCCCNc1nc(CSc2nc(C(F)F)cc(C)c2C#N)c(C(=O)OCC)s1 20607449 FIAFSFSKIBUFLD-UHFFFAOYSA-N 440.541 5.337 30 50 IKEA CCNc1ccc(C#N)cc1/N=C1\S/C(=C2\Sc3ccccc3N2CC)C(=O)N1CC 32609485 UGQCCWISLYGAJD-KZKDCJJISA-N 449.605 5.374 30 50 IKEA CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2C#N)CC1 1072800 JUSCRIJDNSNCQI-UHFFFAOYSA-N 429.383 5.307 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cccc(Br)c1 2306145 DSQADTIMDSAVQD-XMMPIXPASA-N 432.361 6.912 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1 4046891 IBSKXRMGHUTOPQ-URAOTHONSA-N 446.550 6.828 30 50 IKEA Cc1c(C#N)c2nc3c(c(-c4ccc(Br)cc4)c2n1-c1ccccc1)CCC3 8453864 JJJCTWMABDWKEX-UHFFFAOYSA-N 428.333 6.124 30 50 IKEA C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1 12342942 WLRGDZXANHXURB-QRQIAZFYSA-N 441.512 5.926 30 50 IKEA C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O 14711629 LTTQKYMNTNISSZ-MWTRTKDXSA-N 438.520 5.610 30 50 IKEA biogenic,in-vivo CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 16393638 QBOBMTBXBZBAST-MHECFPHRSA-N 441.556 5.143 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cccc(C)c2)SC1=S 22242032 CWURBLNKVQJTKZ-LTGZKZEYSA-N 425.575 5.230 30 50 IKEA COc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(OC)c1 32691024 GWEUMYGWCNOGLP-YUMHPJSZSA-N 428.467 5.413 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@@H]4CC4(F)F)cc3)n2)cc1OC 2325866307 HCYHGXZRWUHLBE-IRXDYDNUSA-N 440.471 5.440 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(F)cc1 993758 LMMGMZUBXLIXJQ-AREMUKBSSA-N 440.518 6.283 30 50 IKEA Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 994450 YXYXZFJSIGFFCZ-VWLOTQADSA-N 426.516 6.045 30 50 IKEA C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 9240500 SLTINVFCIDBTMO-QFIPXVFZSA-N 446.890 5.083 30 50 IKEA C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 20602264 KAZZDRRNZVOQBJ-LYTUFYRVSA-N 441.402 7.030 30 50 IKEA CCOC(=O)N1C=C[C@H]2C=C[C@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 104277756 ZLEIAUDTJAGXJQ-QRKAHDCESA-N 425.528 5.528 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1O 815893 XYKAAHIVTFOQNE-WXTAPIANSA-N 426.516 5.689 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 4082016 GUPPYNAVRNACFU-SSOJOUAXSA-N 435.354 6.973 30 50 IKEA CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 12410738 ZBZQSFQNKPWGHL-SANMLTNESA-N 437.543 6.387 30 50 IKEA COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1O 13568530 LXXCBZMSVOQMKD-MQNRADLISA-N 446.934 6.034 30 50 IKEA O=C1CSC(=S)N1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 13961179 RXMPVYNYQMSXJU-PTXOJBNSSA-N 435.741 5.013 30 50 IKEA COc1ccc(C(=O)/C=C/c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 25558058 YCYQULDYTBVOSU-VGOFMYFVSA-N 436.529 5.284 30 50 IKEA CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#C[Si](C)(C)C)cc2)[nH]1 217473423 SLWUXWKXTMDXQT-QFIPXVFZSA-N 433.628 5.381 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 1213038 IEZGPYRAYNHBCB-RNODOKPDSA-N 435.486 5.651 30 50 IKEA C/C(=N\c1ccccc1)C1=C(O)C=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 3620948 NXPSCNHCWFSEKP-WVWWYIFQSA-N 444.372 7.625 30 50 IKEA C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2C)SC1=S 8872402 HTRUGMNHSWVHQG-ZHZULCJRSA-N 445.993 5.493 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl 20322700 LJCYWJFELCCEMQ-IVZQSRNASA-N 425.887 5.014 30 50 IKEA CCCCCCCCCCCCCC#CC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 49881746 YGBSGZPIDCXNEH-QFIPXVFZSA-N 435.649 6.632 30 50 IKEA in-vitro CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC(N)=S)cc1 100815738 HCGOHCAOJSIHNG-UHFFFAOYSA-N 440.719 6.597 30 50 IKEA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1857525133 RSYAEGYTIQGKTB-GBRWHWAMSA-N 428.701 8.248 30 50 IKEA CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 805508 BFLSOFSVIURLKS-MMTVBGGISA-N 440.543 6.073 30 50 IKEA COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013764 PONHLWOSHSALCG-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA Cc1ccc(-c2nc(N/N=C/c3cc(Br)ccc3O)c3ccccc3n2)cc1 16667056 KWZVJWDOVIPXDJ-ZMOGYAJESA-N 433.309 5.519 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1OC 883388 BXJTUGWLCUHXTK-WHLCRQNOSA-N 440.543 5.992 30 50 IKEA N#Cc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nn(-c2ccccc2)c1N 2758898 OEJQFXVTZRYVNP-UHFFFAOYSA-N 427.511 6.463 30 50 IKEA Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1 2843194 PJWKOZHHVWWANG-NSHDSACASA-N 433.371 5.141 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 16037490 HBTABMLBZYAMMQ-VXNXHJTFSA-N 437.524 5.041 30 50 IKEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 16393633 QBOBMTBXBZBAST-HOYKHHGWSA-N 441.556 5.143 30 50 IKEA CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 253501612 NKJYZYWCGKSMSV-QCAXCJEWSA-N 442.640 6.360 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O 720497 ALLHTRHSEXYSHK-YHAMSUFESA-N 446.934 6.034 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(OCC(N)=O)cc1 780270 FYYZKUXDIJYTDQ-AREMUKBSSA-N 426.516 5.013 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1 8606777 KYBGDEBGMURQMQ-UHFFFAOYSA-N 431.414 5.509 30 50 IKEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1 9559996 DQMUKBLCFGBICH-XJKSGUPXSA-N 446.330 5.015 30 50 IKEA C=CCn1c(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C(=O)OCC)sc1=S 1184792 ZHMWLCBDWVWPLL-UHFFFAOYSA-N 434.558 5.231 30 50 IKEA COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 9046710 ZOUWHWFPLPEONG-QFIPXVFZSA-N 449.890 5.140 30 50 IKEA O=C(/C=C/c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1)c1ccccc1 9720842 XNYMPHBZSUCWTP-KNTRCKAVSA-N 447.490 6.200 30 50 IKEA Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1Cl 16267807 UGOFPXFTYRGYPE-XKZIYDEJSA-N 434.948 6.119 30 50 IKEA COc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1 16677506 TVBWTPMFVMGQKQ-ZVHZXABRSA-N 433.309 5.514 30 50 IKEA COc1cccc(/C=N/Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)c1O 16677509 WVKQRYMYZNUABO-ZMOGYAJESA-N 449.308 5.220 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2F)cc1 883141 LBODXLCIFUOJRU-DXPJPUQTSA-N 432.470 5.953 30 50 IKEA CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 1423605 HIOLYXVTOUANHY-CQSZACIVSA-N 445.585 5.341 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(Br)cc1 2030035 QAWOXEBCEZIUIC-XMMPIXPASA-N 432.361 6.912 30 50 IKEA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=N/c2cccc3ccccc23)cc1 2141294 ZEMMODOPIHWTTQ-JFLMPSFJSA-N 435.310 7.508 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br 2757459 OSFRPGYLCHUTNC-IBGZPJMESA-N 432.358 5.006 30 50 IKEA O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 9560068 LWURXLAWGAYRRJ-PGRDOPGGSA-N 443.930 6.137 30 50 IKEA Cc1cccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)c1 13476259 JYYFHGHXLBILGC-SFHVURJKSA-N 442.799 5.345 30 50 IKEA C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(\C)c1ccc(F)cc1 19800819 QEDZPCJTDQBXSY-SUPWZFAMSA-N 449.473 5.297 30 50 IKEA CCCCCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC 245246459 MEFGTSQMHVIFOC-HHRNURRFSA-N 435.696 7.996 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 252467473 NDZYXAXWOZOQAQ-QNIXWYMOSA-N 434.624 5.884 30 50 IKEA Cc1cc2c(cc1C)n1c(C(=O)/C=C\c3ccc(N(C)C)cc3)c(-c3ccccc3)nc1n2C 334163143 MKZRGQOENWGTSN-SSZFMOIBSA-N 448.570 6.072 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 861121 FLWSURSIFHMWID-MRDQGFSESA-N 441.487 5.583 30 50 IKEA CCNC(=S)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 2531256 OONUYPXTIXJMHD-BRJLIKDPSA-N 446.359 5.184 30 50 IKEA CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1 638216 JNPIWIRCANBDMN-UHFFFAOYSA-N 432.911 5.560 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1049134 VVECEIQGOJKZDR-IBGZPJMESA-N 440.286 6.118 30 50 IKEA CC1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1 4547117 IWFWUQFBITYQRW-PWDIZTEBSA-N 446.182 6.678 30 50 IKEA CC[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1 17096266 ZRNPRINBFFCLDN-KSXCTLEASA-N 429.029 6.730 30 50 IKEA C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O 257357611 PBCULPOTNCGYFY-VAOMLINUSA-N 442.596 5.328 30 50 IKEA C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 2861753 RJPBTZFJAQJMLE-INIZCTEOSA-N 426.973 5.209 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 2927013 BACMQGSHIULFSS-NBGIEHNGSA-N 431.532 5.010 30 50 IKEA C=CCOc1ccccc1CN1CCC2(CC1)C[C@H]2C(=O)Nc1ccc(OC)c(Cl)c1 12183711 JAVBYXVUHXJVOA-FQEVSTJZSA-N 440.971 5.154 30 50 IKEA O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 15769253 SAFXLVSSTUUKRG-QPEQYQDCSA-N 428.684 5.447 30 50 IKEA CCCCCCCCCC[C@@H](C(=O)OC(C)C)[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 100657919 VFHFSRKPNDEJAW-QHCPKHFHSA-N 445.495 7.421 30 50 IKEA Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 101125907 LVRAFANJAQSBKR-LBMUFILHSA-N 429.501 6.020 30 50 IKEA CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 109374829 WBMRVESQUZSWJJ-IXORVSQSSA-N 433.533 6.690 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 669787 TYJRQKLPFPQHDD-XMMPIXPASA-N 429.476 6.077 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 869996 RWPGUUJGDRLQDU-LJAQVGFWSA-N 432.523 6.487 30 50 IKEA CN1C2=C(C(=O)CC(C)(C)C2)C(c2c(Cl)cccc2Cl)C2=C1CC(C)(C)CC2=O 1113871 SXLIJVAAMDGNTR-UHFFFAOYSA-N 432.391 6.309 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)cc1)Nc1ccccc1-2 2874009 KHIMYIYBAKULBV-KRWDZBQOSA-N 427.327 5.082 30 50 IKEA N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c(F)c1 2880773 OFEABBHERNUUTD-UHFFFAOYSA-N 441.849 6.564 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1 9301155 ZDMMAPDMIUEIRU-MHZLTWQESA-N 447.538 6.015 30 50 IKEA COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc(Br)cc3)[C@@H]1CC2 18029681 WORYLAZEPKLIAL-BUSFYLHUSA-N 439.353 5.274 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 18286051 HPNULZLDPIMLNF-QUGAMOGWSA-N 430.935 6.328 30 50 IKEA CC/C(=N\NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(Br)s1 19637869 WDYCRLQOBALNSB-HMMYKYKNSA-N 443.432 5.145 30 50 IKEA CCCCCCCCCCCCCCCCCCNC1=CC(=O)c2ccccc2C1=O 100993177 ZWRYMFSTJOTECJ-UHFFFAOYSA-N 425.657 7.801 30 50 IKEA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](/C=N/c1ccccc1/N=C/[C@@H]1[C@@H]3CC[C@@](C)([C@@H]1O)C3(C)C)[C@H]2O 828611175 PUXWGFKLGBSUCF-IZQKDBBSSA-N 436.640 5.958 30 50 IKEA O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)Oc2c1ccc1ccccc21 1775964965 NZLRFHDNUNUHND-SXGWCWSVSA-N 446.094 5.687 30 50 IKEA CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc3ccccc23)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 16034114 SDLIEYULIJAVBE-UODIDJSMSA-N 431.539 5.982 30 50 IKEA CC(C)CCOc1ccccc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 17095213 VRTFNNFKISUCDX-MFKUBSTISA-N 426.969 6.829 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccccc2)cc1 18324463 CHAKSZGALGQIOW-LYZGTLIUSA-N 438.527 5.616 30 50 IKEA CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 19849098 UKLUKQFXADFNPT-MTDXEUNCSA-N 430.983 5.620 30 50 IKEA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(Cl)cnc21 169794174 SDKUECRBPCPNKK-UHFFFAOYSA-N 434.893 6.013 30 50 IKEA in-vitro COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O 710624 FDVXNNIFAZBQQL-QUGAMOGWSA-N 442.515 5.389 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Cl)ccc2o1 1074701 QWYBYOCISUGELT-UHFFFAOYSA-N 442.903 5.401 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(F)c2)cc1 1204083 NOCCFNHRVZGIOG-XMMPIXPASA-N 449.522 5.182 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(Cl)ccc1O 13555546 RPTKRVXJNWPJLU-SFHVURJKSA-N 445.733 6.569 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100556524 XEXSXBVLADCZJZ-FQRUVTKNSA-N 443.543 5.240 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 2776232 BJAQRJZBQYOTIL-CLOONOSVSA-N 449.522 5.149 30 50 IKEA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 16527514 URVROLGYPGPCLQ-NDEPHWFRSA-N 448.566 6.269 30 50 IKEA C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)CC1 20137354 CIMJNCGZYWLORS-OAQYLSRUSA-N 434.584 5.084 30 50 IKEA COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 27547208 FMXAVHXMSUUXJW-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA Cc1ccc(C(=O)C2=C(N)N(c3cccnc3)C3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 1130415 RSQCHAOFARIGAM-HSZRJFAPSA-N 441.556 5.116 30 50 IKEA N#Cc1cc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c([N+](=O)[O-])cc1C#N 1430722 YSVDLKRHSGXTAA-UHFFFAOYSA-N 427.203 5.625 30 50 IKEA N#Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 2318200 DNQUZDZOCIEGDV-UHFFFAOYSA-N 446.022 5.884 30 50 IKEA O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1 9445157 OVDDNJCFQQDCSQ-RMKNXTFCSA-N 432.657 6.167 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19638554 MDKPGMFAWUMHKT-RXFWQSSRSA-N 443.543 5.240 30 50 IKEA COc1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 19771493 VNDRUXQCBKDZQX-MTDXEUNCSA-N 449.982 5.079 30 50 IKEA CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Br)cc1 19833865 BIWYDRADXLLKGV-HYARGMPZSA-N 445.386 5.448 30 50 IKEA O=C1C[C@H](S/C(=N/c2ccccc2)Nc2ccccc2)C(=O)N1c1cccc(Cl)c1 100032804 DMTGWMBPXZPIDN-FQEVSTJZSA-N 435.936 5.505 30 50 IKEA CN(C)[C@H](CNc1oc(/C=C/c2ccc(F)cc2)nc1C#N)c1ccc(C(F)(F)F)cc1 1775976092 OHXQIKDZGDDIQR-PCANVONCSA-N 444.432 5.589 30 50 IKEA O=C(Oc1cccc(/C=N/NC(=S)Nc2ccc(F)cc2)c1)c1ccc(Cl)cc1 2543950 YVYBPIUTLHNFLL-ZMOGYAJESA-N 427.888 5.019 30 50 IKEA CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O 8448934 CHJLCNXRVDJGGC-UHFFFAOYSA-N 437.536 5.793 30 50 IKEA C=CCCC(=O)N[C@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 12242909 JKSADICZNIGJLM-MRXNPFEDSA-N 433.021 5.737 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 217799481 OGVUEVZLBVSKDA-HQOKVJKCSA-N 448.858 5.111 30 50 IKEA biogenic C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)SC1=S 2967188 LHEKEQJRTNAVRD-HZHRSRAPSA-N 447.581 5.815 30 50 IKEA COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 8415132 OVUKUJSLCIKTLD-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA N#Cc1c(-c2ccccc2)cc(C(F)F)nc1SCc1cc2c(cc1Cl)OCO2 8455948 AYZJUSPDVOLENV-UHFFFAOYSA-N 430.863 6.232 30 50 IKEA CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 9680429 DVWBBQPDRSRDCA-QHCPKHFHSA-N 429.347 6.300 30 50 IKEA C=CC[C@@H]1CC=C[C@@H](C)N1Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 20203177 YQUNGKUIQGXXGN-ISKFKSNPSA-N 442.607 5.053 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)s1 994456 MEOAIUDWLHOVHU-FQEVSTJZSA-N 445.382 5.674 30 50 IKEA CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 1219214 FRBKOIJENMRIFX-QFIPXVFZSA-N 432.907 5.189 30 50 IKEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccccc1Cl 2506507 JWTFZWZJSWNPDV-ZMOGYAJESA-N 427.888 5.019 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(CC)cc1 2757375 LROSTCZLJWODRG-ATIYNZHBSA-N 429.560 5.564 30 50 IKEA CCSC1=N/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)S1 6271258 RFEPLNLXGVKRFF-WJDWOHSUSA-N 434.380 5.752 30 50 IKEA COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 8913998 FVWWBSVRCAEWET-PIKZIKFNSA-N 438.527 5.616 30 50 IKEA CCCCCCCCCCCCNC(=O)c1cc(Br)c2ccccc2c1O 100072007 CGGGGQNSARMICB-UHFFFAOYSA-N 434.418 6.959 30 50 IKEA CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 257348655 HTZDJVPKUOXQMG-HXXWEPEYSA-N 442.684 7.139 30 50 IKEA CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 8448972 DLJVZDBDEACPBV-UHFFFAOYSA-N 449.591 6.873 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 15837449 NJIJEDZFYYAHCJ-OAQYLSRUSA-N 445.321 5.739 30 50 IKEA O=[N+]([O-])c1ccc(Nc2cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c2)c([N+](=O)[O-])c1 22781513 VFGMIZXSABPQOD-LSHDLFTRSA-N 447.234 6.010 30 50 IKEA C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@@]2(C)[C@H](C)CC[C@@]3(CCC(=O)[C@@H]23)CC1=O 257356410 HVPFVUHFUULZFU-UJDYKWCVSA-N 434.693 5.641 30 50 IKEA C=C(C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccccc2c1=O 1068069 KRGLEZOTSMTPRH-UHFFFAOYSA-N 441.556 5.430 30 50 IKEA C=CCn1c(SCC(=O)c2ccccc2)nc2scc(-c3ccc(F)cc3)c2c1=O 1801754 HLWRCFBRSRDIEY-UHFFFAOYSA-N 436.533 5.425 30 50 IKEA C#CCOc1cc(Br)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 2776227 BVJODGJFCNGHAW-KRWDZBQOSA-N 436.305 5.097 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1 2865485 NBBHMJXMRLARDM-HRAATJIYSA-N 439.342 6.363 30 50 IKEA C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2 17100052 WZRFKWAYTCQKRC-UHFFFAOYSA-N 436.433 6.671 30 50 IKEA O=C(O)[C@@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)/C(=N/c2ccc(Cl)cc2)S1 32109895 HLPZEZRNGAXCJH-IARRCKNESA-N 447.000 5.353 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O 32787446 IHEJEKZAKSNRLY-UHFFFAOYSA-N 438.781 10.624 30 50 IKEA endogenous,in-man CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]([N+](=O)[O-])C[C@]4(C)[C@H]3CC[C@@]12C 257348222 CKRLTARSGDZFIB-ZEEZMGGSSA-N 431.661 6.932 30 50 IKEA COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 8913997 FVWWBSVRCAEWET-KMRXNPHXSA-N 438.527 5.616 30 50 IKEA O=C(COc1ccc(Br)cc1)Nc1ccc(/C=C/C(=O)c2cccs2)cc1 9426167 JTQGBWOINHISMD-LFYBBSHMSA-N 442.334 5.424 30 50 IKEA N#Cc1c(NC(=O)c2ccccc2Cl)n(CCc2ccco2)c2nc3ccccc3nc12 1776005290 GFLBZLKOYCKZFE-UHFFFAOYSA-N 441.878 5.198 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4oc(-c5ccccc5)c(CC(=O)O)c34)C2=O)cc1 1857526755 WTAWIIKLLNSNJJ-BKUYFWCQSA-N 426.424 5.352 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 909360 XEWNTSPCWZVDPT-NRFANRHFSA-N 433.470 5.549 30 50 IKEA COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccccc2)c(Cl)c1 2549055 RZWAHTGGSSNXIY-IZZNHLLZSA-N 439.942 7.166 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 4081453 MQYXUWHLBZFQQO-BQCGOYODSA-N 426.729 8.025 30 50 IKEA biogenic,in-vitro O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1 15836616 BBKYVZZVKUFMFO-RAXLEYEMSA-N 435.346 6.259 30 50 IKEA COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2 27546970 NCOITTTVHHXZIC-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA C=CCCCCCCCC[C@]1(O)[C@@]2(C)CC[C@@H](C2(C)C)[C@]1(O)CCCCCCCCC=C 216543863 QYSKLDWWBWCAAM-OGAWYMSISA-N 446.760 8.518 30 50 IKEA CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 1066563 TYMIGKASUDASBX-WINIVTDRSA-N 425.532 5.848 30 50 IKEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1 9559995 DQMUKBLCFGBICH-CZUORRHYSA-N 446.330 5.015 30 50 IKEA COc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)c(OC)c1 95496445 PEGZZIZHZPXEII-UHFFFAOYSA-N 428.525 5.190 30 50 IKEA COc1ccc(Oc2ccc(CNc3oc(-c4ccc(OC)cc4)nc3C#N)cc2)cc1 1775976037 NVGJQIMSFCADTP-UHFFFAOYSA-N 427.460 5.635 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 844130 SJNPZJQFLYAIKK-GAJHUEQPSA-N 439.914 5.404 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Br)C2=C(CCCC2=O)N1 1213397 GMUGSLOUSBOHRG-NRFANRHFSA-N 444.369 5.293 30 50 IKEA COc1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OCc1ccccc1 2695951 MCLSZYHOJNIQLB-MFKUBSTISA-N 430.533 5.386 30 50 IKEA CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 8994611 QVVUBRKUPNRMHT-HSZRJFAPSA-N 435.593 5.206 30 50 IKEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 9065412 WYCYFJNWELPIOU-IBGZPJMESA-N 425.271 5.171 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 9109153 KDWXDVAGMJZEAF-NRFANRHFSA-N 448.316 5.540 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O 60258609 KHICUSAUSRBPJT-SFTDATJTSA-N 428.610 6.196 30 50 IKEA biogenic O=S(=O)(Cc1cccc(C(O)=Nc2ccc3nc(Cl)sc3c2)c1)c1ccccc1 328595143 LXOFJJUAVIWQKC-UHFFFAOYSA-N 442.949 5.560 30 50 IKEA O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2c1ccc(Cl)cc1 712377 HSAOUOCDHBXCPU-UHFFFAOYSA-N 448.906 5.866 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1 1184398 BQEAGWNBPANOMQ-ZHRRBRCNSA-N 439.602 5.395 30 50 IKEA C=CCn1c(SC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 1821529 FEDGBLCZXGKHJA-UHFFFAOYSA-N 442.569 6.646 30 50 IKEA CCCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3147781 RXEVFQIQBAFKFA-HNNXBMFYSA-N 444.628 6.034 30 50 IKEA CCc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 8742244 UAMHNFUXDDMCPH-KCWPFWIISA-N 443.587 5.810 30 50 IKEA Cc1c(O)ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c1O 16677640 HWGMWZXLILYNJA-VULFUBBASA-N 430.895 5.630 30 50 IKEA Cc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1ccco1 225387339 OUGZHCFJRYRYTQ-LSHDLFTRSA-N 433.689 5.712 30 50 IKEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)s3)n2)cc1OC 2325703193 XWFPYUATUDAPFQ-LLVKDONJSA-N 449.351 5.141 30 50 IKEA COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 1146419 PLXXREVEQJNVMN-UHFFFAOYSA-N 449.300 5.499 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)N(CC)c1ccccc1C 100970147 HAWDERCUHIIMAR-UHFFFAOYSA-N 430.721 8.792 30 50 IKEA C[C@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4=C(CCCC4=O)Nc4nc5ccccc5n43)cc21 226074048 FMTLDGNAGVCGTD-IVCQMTBJSA-N 426.564 5.780 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 710571 NOPGTQHGCKXWIJ-XMMPIXPASA-N 433.523 5.216 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1OC 812844 WDIGNQZYAIJBOV-XRHLQHRESA-N 444.506 5.822 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(SC)cc1 1130162 SAXCBFNQTZAPLH-NTKDMRAZSA-N 433.573 5.333 30 50 IKEA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 2062028 ZWJUESPZACRXLF-XMMPIXPASA-N 449.522 5.052 30 50 IKEA N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)cc1 2260438 DWTZAFBWMOFVEK-UHFFFAOYSA-N 449.988 5.753 30 50 IKEA COc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)cc1OCc1ccccc1 2344295 YWDJYQUWTKUPHO-MFKUBSTISA-N 430.533 5.386 30 50 IKEA O=C(Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cccc(OC(F)(F)C(F)F)c1 2753298 YFBXEYOMDIIDBL-UHFFFAOYSA-N 449.278 5.301 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC 9982685 QSWKHWCARMUOIP-IIBYNOLFSA-N 439.602 5.313 30 50 IKEA N#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c(F)c1 16448736 ZSGCDCJEAYYILR-UHFFFAOYSA-N 426.234 6.065 30 50 IKEA O=C(CC/C(C/C(=N\O)c1ccc(F)cc1)=N\O)N(Cc1ccccc1)Cc1ccccc1 17195498 NWEHDIQJVKGIOJ-NLLYGJECSA-N 447.510 5.234 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 19639975 ITJXPPUKBJZXDH-NRFANRHFSA-N 444.369 5.293 30 50 IKEA O=C1/C(=C\NCCc2ccc(Cl)cc2Cl)Nc2ccc(Br)c(Cl)c21 100393915 TZNHOYJXOBGSOX-RIYZIHGNSA-N 446.559 5.691 30 50 IKEA CC1(C)OB(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)OC1(C)C 204936465 GPTMWZAAIQOCLM-UHFFFAOYSA-N 442.367 6.329 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]32)cc1 257350145 VBLKGSKRRMCRKY-BHMXKCEWSA-N 444.637 5.681 30 50 IKEA C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(C)cc1 1119025 GELPHDBJRZZFLE-UHFFFAOYSA-N 447.589 5.294 30 50 IKEA CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)c2ccccc2Cl)C1 2570722 IMLOGDONUFNSQY-UHFFFAOYSA-N 431.897 5.798 30 50 IKEA O=C(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1)c1ccccc1 22130543 XAFNWJWTPVDGOJ-RELWKKBWSA-N 426.541 5.556 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 666751 PPJAPMPUIWUORI-NBGIEHNGSA-N 449.978 5.901 30 50 IKEA Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(c5cccs5)CC4=O)cc3)sc2c1 1148706 WDWCGQUTDGNYAW-UHFFFAOYSA-N 444.581 6.345 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(C)c2)cc1 8779932 PCUDZKQAQSCLPO-VWLOTQADSA-N 445.559 5.351 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O 13568560 SWQKAUBNQMTHIB-QUGAMOGWSA-N 430.479 5.519 30 50 IKEA Cc1ccc([C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)c(C)c1 226909086 UFZFTJYRWWOMTM-VJGNERBWSA-N 446.510 6.111 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S 1180486 GABUXUQILBDUGP-UUASQNMZSA-N 441.317 5.549 30 50 IKEA C=C(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nc2sc3c(c2c1=O)CCC3 2848156 QNXPZKRTZPIGRX-UHFFFAOYSA-N 437.011 5.213 30 50 IKEA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 4794451 UBSHQMLVNOBBER-FQEVSTJZSA-N 439.577 5.635 30 50 IKEA Clc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(Br)cc23)c(Cl)c1 13475903 LJCDRHUPHCRITO-IFRROFPPSA-N 436.100 5.021 30 50 IKEA COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1OC 15659923 BZALJEZENKRHHS-RAXLEYEMSA-N 425.484 5.417 30 50 IKEA CCCCCCCCCCCC[N+](C)(C)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C 101020258 CHOAPRPCLBAGHF-UHFFFAOYSA-N 428.769 8.841 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1OC 812853 KEJCZAYCFMYQRW-CRYYWNKWSA-N 444.506 5.822 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 2844517 HSRHEDXSOZKCBK-VFNWGFHPSA-N 445.437 5.223 30 50 IKEA CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O 14953268 WRGQSWVCFNIUNZ-XTXLJPNXSA-N 436.526 5.037 30 50 IKEA in-vitro,metabolite CCCCCCCCCCCCOCC[N+](C/C=C/c1ccccc1)(CCO)CCO 102312249 SWALXVUDHDLRCR-OBGWFSINSA-N 434.685 5.439 30 50 IKEA CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 672279 LOHBBIJNKKFBPB-PPHZAIPVSA-N 427.548 6.105 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 1445919 ZFRJQLJGTOIGFV-HFJWLAOPSA-N 435.479 6.120 30 50 IKEA O=C(/C=C\Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 15836417 OXDWGZIBHOXAEB-SEYXRHQNSA-N 447.343 5.603 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(CC)cc1 2757373 LROSTCZLJWODRG-BKMJKUGQSA-N 429.560 5.564 30 50 IKEA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 3874199 DKHGMERMDICWDU-GHDNBGIDSA-N 444.659 8.918 30 50 IKEA aggregator,endogenous,investigational Cc1cc2c(cc1C)N[C@H](c1ccc(OC(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 4081160 WWIXZOWECVWWJU-JOCHJYFZSA-N 430.470 6.424 30 50 IKEA CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl 4098965 QQODLKZGRKWIFG-ZAAXVRCTSA-N 434.294 6.317 30 50 IKEA in-man CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3/C(=N\[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257350183 VIIVBTDLDAKMPX-KZTFXRITSA-N 430.677 7.740 30 50 IKEA O=C(O[C@@H](/C(O)=N/Cc1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 328592391 WOUXDZDALHCPGG-HHHXNRCGSA-N 435.523 6.260 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 1177194 KRQRITBIGHTDQJ-QFIPXVFZSA-N 438.930 5.722 30 50 IKEA CSc1nnc(N2C(=O)C[C@@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)s1 1445851 QSXDDHOJLANZIU-LBPRGKRZSA-N 433.986 5.077 30 50 IKEA C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1cccc(C)c1 2544626 VFTLFNZLMUSGEM-UHFFFAOYSA-N 441.988 5.077 30 50 IKEA Cc1ccc2occ([C@@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 4081886 LXUSMDMQPSEYKW-VWLOTQADSA-N 428.532 5.940 30 50 IKEA biogenic CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 4199816 LJFKTOGWRXCVAM-RUZDIDTESA-N 429.564 5.306 30 50 IKEA CSc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19840531 KOCLNSLPPORYAS-JOCHJYFZSA-N 433.577 5.046 30 50 IKEA COc1cccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3Cl)o2)c1 20602397 AQCGNKYJOJMXEB-CMDGGOBGSA-N 447.712 6.179 30 50 IKEA COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 253501622 PFLCXOYUUHWAGR-AZQOAERPSA-N 439.640 5.984 30 50 IKEA biogenic Cc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(OCC(C)C)cc2)cc1 1884181 LXNUEWGSFQGOHC-QPLCGJKRSA-N 436.577 5.069 30 50 IKEA COc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 9088535 NEGFPUAOZJOOMU-MFKUBSTISA-N 446.532 5.183 30 50 IKEA CCc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013694 UOLSNFLKQATORM-XMMPIXPASA-N 432.539 5.631 30 50 IKEA CC1(C)OB(c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)OC1(C)C 169745046 NJVKYFHOQLLDHU-UHFFFAOYSA-N 436.364 5.023 30 50 IKEA in-vitro CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O[C@@H](C)CC 671960 BELHMXOTTYPSEN-MYUZEXMDSA-N 446.591 6.417 30 50 IKEA COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 710576 PQEHEKCBFSELGZ-VWLOTQADSA-N 445.559 5.085 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccnc2)cc1 1001501 VQEAGRYMZHFYAX-NFQMXDRXSA-N 439.515 5.011 30 50 IKEA COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 9065148 RIUCOGLEHBNCHB-OAQYLSRUSA-N 427.928 5.078 30 50 IKEA CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094921 PWZJXSPDNGIODC-PKTZIBPZSA-O 444.677 5.311 30 50 IKEA in-vitro CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1O 857615 SNUMIEZPTBRLEA-RUZDIDTESA-N 434.536 5.344 30 50 IKEA COc1ccccc1[C@H](/N=C(\O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O 6427430 GZZKJMGEZUEPPD-QHCPKHFHSA-N 448.906 5.727 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 8996552 GQNKIKRBGGKUKO-QFIPXVFZSA-N 430.504 5.059 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1199627 OORWVNVDYBEJOM-IBGZPJMESA-N 425.271 5.171 30 50 IKEA N#Cc1c(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CCCC3=O)sc2c1CCCCC2 1430160 HGXDRSPJWKJWCL-GOSISDBHSA-N 434.536 5.555 30 50 IKEA CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 8415271 RLAAGAQFHFKTRS-NRFANRHFSA-N 444.428 5.451 30 50 IKEA Cc1cc(C)c(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)c(C)c1 25559054 YHTJQMJJLBOWDZ-MZJWZYIUSA-N 447.478 6.149 30 50 IKEA COc1ccc(Br)cc1/C=N\n1c(-c2cccc(OC(C)C)c2)n[nH]c1=S 32577089 VFRUECJFSZJOAM-NHDPSOOVSA-N 447.358 5.048 30 50 IKEA C=C[C@@H](Cc1nc(-c2cc3ccccc3cn2)nn1-c1cccc(OC)c1)c1ccccc1 1875347409 OJGQPQGDPFDJIK-FQEVSTJZSA-N 432.527 6.003 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1 872435 IGNKQYZXOGECOQ-PPHZAIPVSA-N 426.516 5.899 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1C(F)(F)F 1127603 ALEVSAGTMVIFJA-XCLFUZPHSA-N 447.478 5.302 30 50 IKEA N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 1140659 VLPRORBEWKUXPP-UHFFFAOYSA-N 449.963 5.452 30 50 IKEA COc1cccc(/C=C2\N=C(SCc3ccccc3)SC2=O)c1OCc1ccccc1 2822389 LLJSAXOVIAHFHT-QNGOZBTKSA-N 447.581 6.178 30 50 IKEA O=[N+]([O-])c1ccc(N/N=C(\Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 4577135 PCAKPWYJEOQLPI-WNAAXNPUSA-N 434.496 5.730 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1219703 WDLUUDAGFQCRQK-XTXDOFFSSA-N 445.902 5.531 30 50 IKEA C=CCc1ccc(OCCOCCOc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 15823299 BDFBZYOSICLLIH-UHFFFAOYSA-N 432.516 5.129 30 50 IKEA Cc1cc(C)n(C(=S)CSc2nc(-c3ccc(F)cc3)cc(-c3ccco3)c2C#N)n1 19647703 DXRXXSCDZSCKLU-UHFFFAOYSA-N 448.548 5.801 30 50 IKEA CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 100717219 IXJOWDDYUDDZQR-SIHNDCSESA-N 445.544 5.250 30 50 IKEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 218606102 NRYXEJASFVQXCP-HXUWFJFHSA-N 444.535 5.020 30 50 IKEA CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 4064668 MQCRGRCXXRGJAF-FQRUVTKNSA-N 445.559 5.400 30 50 IKEA CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc(Cl)cc4)c3c2C1 25559740 AMFYFSVVIFQCJF-JZNDDVEWSA-N 427.017 6.722 30 50 IKEA Brc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 32691002 IJYBZIUXKUAZCE-XYGWBWBKSA-N 429.321 6.019 30 50 IKEA Brc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 239121053 JEYYRFVFUFXRQW-UHFFFAOYSA-N 432.365 5.171 30 50 IKEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(Br)cc1 252429353 GLANPKJYUZDVGV-UHFFFAOYSA-N 428.142 5.185 30 50 IKEA C=C(CN1CCC[C@@H]1c1ccccc1Cl)C(=O)N[C@@H](c1ccccc1)c1cccnc1 2325826363 ZVXSDBPCJMECGP-RPBOFIJWSA-N 431.967 5.334 30 50 IKEA CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC 2792447 UBCZTMJKKKKYAV-QGZVFWFLSA-N 440.609 5.749 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 4064694 GTAYUCKXHAMCRM-YUDQIZAISA-N 446.550 6.828 30 50 IKEA CCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 8435064 VFLYQKHOKFQGFC-TURZUDJPSA-N 438.531 6.141 30 50 IKEA CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 8846664 NVTWIXACOHQGCP-XGCWNURASA-N 444.962 6.718 30 50 IKEA Cc1ccc(/N=C(\CS(=O)(=O)Cc2ccccc2)C(F)(F)C(F)(F)C(F)F)cc1 22205002 FWXAOSKQIDOVAJ-WGOQTCKBSA-N 437.405 5.218 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 827598171 VOETZVYTDQTIBX-QJWWBAGSSA-N 446.588 5.239 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc2c(cc1Cl)OCO2 851457 MZHUNDCNEGIOGO-RUZDIDTESA-N 431.919 6.531 30 50 IKEA C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)CC1 12470265 RZIRHYIJPCTMCB-HSZRJFAPSA-N 448.611 5.230 30 50 IKEA C#CCOc1cc(Br)c([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 2776226 BVJODGJFCNGHAW-QGZVFWFLSA-N 436.305 5.097 30 50 IKEA COc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2Br)n[nH]c1=S 9088339 RAQNKTRVSRNPRB-WSDLNYQXSA-N 439.338 5.414 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC1=S 12343639 RMMBGQMTRSTSMX-RGEXLXHISA-N 431.966 5.185 30 50 IKEA CCCCCCCCCCCCCCOc1ccccc1NC(=O)CSc1nc[nH]n1 100813220 BTUQUOWASKAVIJ-UHFFFAOYSA-N 446.661 6.615 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc2c(cc1Cl)OCO2 851458 MZHUNDCNEGIOGO-VWLOTQADSA-N 431.919 6.531 30 50 IKEA Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 2258471 UIUYURTYOATAQH-UHFFFAOYSA-N 443.597 5.798 30 50 IKEA C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2)o1 6142117 VTVZBJAINPBAPU-NWCNHZITSA-N 449.963 5.663 30 50 IKEA C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cc(Cl)ccc2o1 18219729 GVEJYMKBBLLBFM-UHFFFAOYSA-N 449.923 5.060 30 50 IKEA C=C[C@@H](CCC1(CC[C@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1 43198818 VDGIQSSYFMFIRB-GOTSBHOMSA-N 436.686 7.980 30 50 IKEA CCCCCCCCCC(=O)N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 97950791 NUENIKSMRXNLSG-OAQYLSRUSA-N 443.846 7.205 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O 720494 ALLHTRHSEXYSHK-DXPJPUQTSA-N 446.934 6.034 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc(C)c(C)c2c1=O 1895158 HLQLYPQRAVHCRG-UHFFFAOYSA-N 446.597 5.903 30 50 IKEA C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2790826 ZXFJQVARNFMMEO-STQMWFEESA-N 449.418 5.005 30 50 IKEA CCCCCCCCCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21 2899179 POZAVRGDGMJJJY-KOEQRZSOSA-N 442.401 7.006 30 50 IKEA COc1cccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3OC)c2C#N)c1 8809736 AURHJGTXOOROPW-UHFFFAOYSA-N 438.552 6.597 30 50 IKEA COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1CSCc1ccco1 19644158 VLKRULCIKXYHJA-FSJBWODESA-N 445.997 5.696 30 50 IKEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccc(Oc2ccccc2)c1 24302581 KQHXNOPSPSWLIW-UHFFFAOYSA-N 445.515 5.172 30 50 IKEA CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 672277 LOHBBIJNKKFBPB-XHCCPWGMSA-N 427.548 6.105 30 50 IKEA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCC5)c3n2)cc1 1070695 HZPJCWMNIYWTJT-UHFFFAOYSA-N 449.486 5.317 30 50 IKEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 1147919 AWIYDOPOGWXPKE-GKVSMKOHSA-N 429.451 5.713 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])o2)cc1 9089757 VRGBYQUSAQYZMH-OWJWWREXSA-N 431.448 5.176 30 50 IKEA CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253505575 GGQIDQJAIYDGEX-LSHGJVDWSA-N 427.585 5.436 30 50 IKEA biogenic O=C1Nc2ccccc2/C1=C1/S/C(=N\c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 1136722 XXXZJQNYFCICPR-LWHDSRAQSA-N 433.439 5.096 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccc(F)cc1 1429660 BRYSJWLHPYPQGP-SFHVURJKSA-N 448.563 5.801 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 144490211 XIPFMGYXSZQUGV-JCKUYFFHSA-N 431.661 7.183 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253500188 YSSYRCSUIQKJPD-JCEDDHLOSA-N 444.700 7.651 30 50 IKEA biogenic FC(F)(F)C1CCN(c2ncc(/C=N/OCc3ccc(Cl)cc3Cl)s2)CC1 263640100 XQUARUKPTMGUGM-PGGKNCGUSA-N 438.302 5.779 30 50 IKEA N#Cc1c(NC(=O)COc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 2964577 PRCXAPJWDVGKNL-UHFFFAOYSA-N 428.875 6.156 30 50 IKEA CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(Cl)c1 638336 FKUBFJQZCBWXEX-UHFFFAOYSA-N 446.938 5.869 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 1124675 SEYXWBFDICIKQK-UHFFFAOYSA-N 449.363 5.177 30 50 IKEA CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1145233 JYUVZCUGGYUEOC-SJLPKXTDSA-N 444.569 5.829 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O 13568556 BNQZVNDPPTXWIL-QUGAMOGWSA-N 446.934 6.034 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 15837452 NJIJEDZFYYAHCJ-NRFANRHFSA-N 445.321 5.739 30 50 IKEA Cc1cc2c(cc1C)N[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 18284767 WWSSKWKAQOULIF-MUUNZHRXSA-N 438.571 7.318 30 50 IKEA CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)O 60258613 KHICUSAUSRBPJT-LEWJYISDSA-N 428.610 6.196 30 50 IKEA biogenic C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 1772820197 OESLKRXCBRUCJZ-QDHZLWAQSA-N 442.728 6.996 30 50 IKEA N#Cc1ccc2c(c1)CCC[C@H]2C(=O)OCc1coc(-c2ccccc2C(F)(F)F)n1 1875343316 XAEYZDGWYHIFHM-GOSISDBHSA-N 426.394 5.395 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 630117 YWAXPUVZPSJNGK-XRHLQHRESA-N 440.499 5.403 30 50 IKEA CC[C@@H](C)Oc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O 673083 PNXJNSIYRDXNJQ-WGDIFIGCSA-N 432.564 6.027 30 50 IKEA C=CC[C@H]1CC=C[C@H](C)N1Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 206696024 YQUNGKUIQGXXGN-UPVQGACJSA-N 442.607 5.053 30 50 IKEA O=C1CCCC2=C1C(c1ccccc1OCc1ccc(C(=O)O)cc1)C1=C(CCCC1=O)O2 1115530 RYSXQPNCTYKMKB-UHFFFAOYSA-N 444.483 5.092 30 50 IKEA N#CCCn1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(-c2cccc([N+](=O)[O-])c2)n1 12548813 NGAASUCNKCBYIN-UHFFFAOYSA-N 438.443 5.258 30 50 IKEA C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(C)cc2C)SC1=S 22228963 SBCRFMDTQRFMEB-QNGOZBTKSA-N 425.575 5.148 30 50 IKEA O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)CCC/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 25692681 FDLQEQJYIXTTDH-DJJIWSAGSA-N 433.247 6.030 30 50 IKEA CC(C)[C@H](OC(=O)[C@@H](/N=C(/O)c1ccccc1)c1ccccc1)C(O)=Nc1ccccc1 328592471 SOXFWCHWFGPACR-GOTSBHOMSA-N 430.504 5.589 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 1217704 PIKWZUCRTCRENM-HFJWLAOPSA-N 441.487 5.583 30 50 IKEA CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(F)cc2)C2=C1CCCC2=O 1461725 KWPCGCZAHIPHBJ-UHFFFAOYSA-N 431.507 5.448 30 50 IKEA CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1 1903402 FQZFIVOMFHKBCE-CSKARUKUSA-N 439.665 6.550 30 50 IKEA investigational CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 8432072 BZFSOUBHLWUHFZ-MHZLTWQESA-N 446.591 6.419 30 50 IKEA Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 21722280 JSJJKZFMYQJYKV-VWLOTQADSA-N 427.504 6.109 30 50 IKEA C[C@@H]1CCCN(/C(=N\c2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)C1 2050024880 FYZDLNUGRYSMSA-GNLKYHOKSA-N 437.612 7.287 30 50 IKEA CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1O 9560080 YDFSVUSOZNKRKV-DZGCQCFKSA-N 446.330 5.102 30 50 IKEA O=C1c2ccccc2/C(=N/N=C/c2ccco2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 100487590 XVNQCDWPODPSOG-LWDYBMGMSA-N 432.479 5.317 30 50 IKEA O=C1c2ccccc2/C(=N/N=C/c2cccs2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 100490960 HVGXDJIYCGJBDN-UDJHQSBFSA-N 448.547 5.785 30 50 IKEA O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]23)cc1 198244411 LRZMINYCHKGPFT-OIYHUGEZSA-N 443.503 5.829 30 50 IKEA C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1 13633744 BHUNOURHCFITPO-GTWSWNCMSA-N 449.510 6.173 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1 16294212 RYMSTZOJZHSMKA-OAQYLSRUSA-N 444.428 5.451 30 50 IKEA C/C(=N\N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 33679687 AOSPMPNFGJAMCT-HKGWMZNFSA-N 438.383 6.838 30 50 IKEA Brc1ccc2nc(NN=Cc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 252679782 REQADNDMPFXOST-UHFFFAOYSA-N 442.320 5.987 30 50 IKEA CC(C)(C)c1cc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)cc(C(C)(C)C)c1O 1821401 TWVVUQVGSADJIQ-LQKURTRISA-N 443.547 5.839 30 50 IKEA NC(=S)N/N=C/C1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1 2981298 SHIMQAFXPKRXRL-WVWWYIFQSA-N 441.625 5.874 30 50 IKEA C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1Cl 16247899 GFRHSMQNJXCAJM-DJUDNFEDSA-N 434.348 5.140 30 50 IKEA C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CC[C@@H]1C)CCC21SCCS1)C1SCCS1 43762231 CPGWNLKFCZHRGO-AXNOTKAXSA-N 442.781 6.439 30 50 IKEA CCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O 100071210 VXTRPEFUPWORNH-QFIPXVFZSA-N 448.692 6.241 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C)c(C)c3)cc2)SC1=S 2882560 VCYMBWNBCXOYFD-CJLVFECKSA-N 439.602 5.539 30 50 IKEA CCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 6573770 VQLDWEOTGXGYEB-WJDWOHSUSA-N 434.380 5.752 30 50 IKEA Cc1ccc(Nc2nc(C)c(C(=O)/C=C/c3c(O)ccc4ccccc34)s2)c([N+](=O)[O-])c1 25586177 XOEGCFSJMAPYHG-FMIVXFBMSA-N 445.500 6.167 30 50 IKEA Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1-c1ccc(C(C)(C)C)cc1 244795337 REJRUZRZEKNGGI-UHFFFAOYSA-N 430.581 5.216 30 50 IKEA N#Cc1ccc(OCc2cccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2)cc1 2325822598 DENOYKNAXAZBSV-UHFFFAOYSA-N 446.934 5.474 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 717036 RFBYMWAFDRFDDM-VBKZILBWSA-N 447.478 5.302 30 50 IKEA O=C(OCc1ccccc1)[C@H]([C@H](SCc1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2274811 PNLJTDSOHFTNAV-BJKOFHAPSA-N 446.528 5.531 30 50 IKEA COc1cc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)ccc1OCc1ccccc1 2357888 KPZGAVGMRRUEKF-MFKUBSTISA-N 430.533 5.386 30 50 IKEA O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1ccc(Br)cc1 25560427 JUIGRQMQUQLCJH-UHFFFAOYSA-N 430.325 5.349 30 50 IKEA CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254385424 LBERVHLCXUMDOT-QAUFCQNWSA-N 442.684 7.571 30 50 IKEA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C 257358970 XRLBQELEYBVDHJ-JIQQANKKSA-N 444.612 5.265 30 50 IKEA O=C1CCCC2=C1C(c1cccc(OCc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)O2 1158127 UMDLNCHRTUPMSS-UHFFFAOYSA-N 434.919 6.047 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc13)N2 1424708 WGADOOZKZYOCEQ-IVCQMTBJSA-N 436.467 5.515 30 50 IKEA C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1 10035316 KDUKQIGZEHYLQG-OWJWWREXSA-N 432.907 6.000 30 50 IKEA Cc1ccc(C(=O)/C=C2\Nc3ccc([N+](=O)[O-])cc3N\C2=C\C(=O)c2ccc(C)cc2)cc1 17721782 ORXNONNFHLAHLN-PMICNGQHSA-N 439.471 5.583 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 1202514 JEBIZTUAMZAJHH-HFZDXXHNSA-N 427.544 5.534 30 50 IKEA CCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2s1 101015322 GEDVBQOBQDNITA-UHFFFAOYSA-N 449.726 8.413 30 50 IKEA COc1ccc(OC)c(/C=C/C(=O)c2c(O)nc3cc(C)ccc3c2-c2ccccc2)c1 170620015 XKJKBIQSAWJJIL-JLHYYAGUSA-N 425.484 5.829 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]([C@H](C)[N+](=O)[O-])[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 827598169 VOETZVYTDQTIBX-IOINTRNCSA-N 446.588 5.239 30 50 IKEA CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 1066556 TYMIGKASUDASBX-XHCCPWGMSA-N 425.532 5.848 30 50 IKEA CC(=O)Nc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1135005 KWZFNXJXMQGOAQ-RBTNQOKQSA-N 437.543 5.933 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1202713 BRXDEBWFHMZQRS-IBVKSMDESA-N 445.534 5.673 30 50 IKEA COc1ccccc1/C=C/C=C1\CC(C(C)(C)C)C/C(=C\C=C\c2ccccc2OC)C1=O 4531643 VQJJXFQTUPJNFO-BLVLBNKCSA-N 442.599 7.308 30 50 IKEA N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1cccc(Cl)c1Cl 2749488 MGIZTSJALCDBMQ-UHFFFAOYSA-N 442.154 7.153 30 50 IKEA O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(O)=N/C(=N\c2ccc(Cl)cc2Cl)N1 2861679 FJCSJUUHDWLHCA-CQSZACIVSA-N 446.121 5.245 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1 9301157 ZDMMAPDMIUEIRU-HHHXNRCGSA-N 447.538 6.015 30 50 IKEA CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 13568543 XNPQQCZYFCCLKP-MRDQGFSESA-N 430.573 6.515 30 50 IKEA C#CCn1c(=O)c(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc2ccc(OC)cc21 14994569 FNXGAIPLDSYUKP-AREMUKBSSA-N 442.946 5.176 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 138166225 QHSIPLRFUZZWRP-RGIAPHJHSA-N 431.532 5.096 30 50 IKEA C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@H]23)CC1=O 257356411 HVPFVUHFUULZFU-WJFGYLIDSA-N 434.693 5.641 30 50 IKEA O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1/C(O)=N/CCCSc1ccccn1 328591585 ZLJLEBJLGLYZCY-QGZVFWFLSA-N 438.380 5.132 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC 1217619 VGEDZCPHLUUQHL-NGOKVRLYSA-N 440.543 5.992 30 50 IKEA CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4065489 FEAIPHNAYUBJNB-LGGPFLRQSA-N 438.571 6.845 30 50 IKEA Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1ccc(C(F)(F)F)cn1 6143140 AKJZKLKZGKQJGI-JFLMPSFJSA-N 428.462 5.031 30 50 IKEA C=CCNC(=O)c1c2n(c(C)cc1=O)-c1ccc(Cl)cc1S[C@@H](c1cccs1)C2 14981580 NYQMLHNSJUFLNG-HXUWFJFHSA-N 442.993 5.166 30 50 IKEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccc(Oc3ccccc3)c2)cc1 16789672 MHRQKVCTWPPXLV-LFVJCYFKSA-N 431.521 5.002 30 50 IKEA O=C1c2ccccc2/C(=N/N=C2CCCCC2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 101148472 CULXSTLNPHOSFZ-NSSHJNEVSA-N 434.539 6.010 30 50 IKEA CSc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 1130357 KUGQVAHDEZEQDF-OLILMLBXSA-N 448.591 7.024 30 50 IKEA CCCSc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 2504246 NLIFCNUNWPYLPG-HNNXBMFYSA-N 427.595 5.204 30 50 IKEA COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 19879327 BPHOMYDPLZNYIT-MTDXEUNCSA-N 449.982 5.079 30 50 IKEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1 206603352 NURXVXDTTCQEIK-PXNSSMCTSA-N 432.520 5.171 30 50 IKEA Cc1cc(C#N)ccc1CCNC(=O)[C@H](Cc1cccc(C(F)(F)F)c1)C1CCCCC1 1875343443 IWPSOEYNVSFKPX-XMMPIXPASA-N 442.525 5.983 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3F)cc1)Nc1ccc3ccccc3c12 2191669 GNCZFYYXNDJFPJ-PMERELPUSA-N 449.525 7.231 30 50 IKEA CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 13568632 NHFCPFSRZFVRAF-NQIIRXRSSA-N 447.575 5.396 30 50 IKEA CCCCCCCCCC(=O)N[C@@H](Nc1ccc(C(=O)O)cc1)C(Cl)(Cl)Cl 97950884 TZWLHSBOEIHZSZ-GOSISDBHSA-N 437.795 5.750 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 253498556 LJQHVTRFOZQNII-LMBKNKKASA-N 444.537 6.592 30 50 IKEA COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)cc(OC)c1OC 718230 OQNRXDDJICPRGJ-HSZRJFAPSA-N 430.504 5.134 30 50 IKEA Cc1cc(Cl)ccc1/N=C/N(C)SN(C(C)C)S(=O)(=O)Cc1ccccc1 39425545 ZCWUACZQDIUOPI-KGENOOAVSA-N 426.007 5.044 30 50 IKEA CCCCCCCCCCCCCCCCN1C(=O)/C(=N\NC(N)=S)c2ccccc21 102311147 DGBSJNFGNBAQMY-VYIQYICTSA-N 444.689 6.052 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 2776233 BJAQRJZBQYOTIL-KBMIEXCESA-N 449.522 5.149 30 50 IKEA CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 8398559 IOASURKICNNIIS-UHFFFAOYSA-N 436.666 5.482 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 9329780 AJODGYLCVPQYID-HXUWFJFHSA-N 434.835 5.031 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 1204593 OFFYFBDLLLMXKK-AOMKIAJQSA-N 425.887 5.014 30 50 IKEA CCCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 8396796 AZSQKYMBAGGFGD-SANMLTNESA-N 445.559 5.577 30 50 IKEA Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccc(Br)cc3)c(-c3ccccc3)c2c1 13424261 VPOOTIZUKSQPMW-UVTDQMKNSA-N 444.328 6.162 30 50 IKEA CCCCCCCCCCCC[C@@H]1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O 100071205 VXTRPEFUPWORNH-JOCHJYFZSA-N 448.692 6.241 30 50 IKEA COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC#N 2912776 ITBXDBVCFSZDFC-MHZLTWQESA-N 438.527 6.060 30 50 IKEA C/C(=N\c1ccccc1)C1=C(O)C=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 3620943 NXPSCNHCWFSEKP-USMPFQSLSA-N 444.372 7.625 30 50 IKEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1OC 9089010 PTGBUASYOOSAHH-QFIPXVFZSA-N 449.890 5.140 30 50 IKEA O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)Nc1ccc(C(=O)c3ccccc3)cc1N2 9861359 OHMAFGPLYJZEIW-VWLOTQADSA-N 428.919 6.157 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 19643770 RUCSBLGADDDLHI-CWVVSJDFSA-N 445.559 5.399 30 50 IKEA C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 669280 DSDHDHWRLVRSFP-UHFFFAOYSA-N 448.379 5.114 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(SC)cc1 1130160 SAXCBFNQTZAPLH-DVECYGJZSA-N 433.573 5.333 30 50 IKEA CC1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 4547106 KQLODMNRFYNBPZ-IFQMDVHZSA-N 426.170 7.766 30 50 IKEA CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 8926756 FXNBYLPGDWPUPX-NPMXOYFQSA-N 441.618 5.685 30 50 IKEA CC1=Nc2ccccc2N/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 9281100 FJOTZLTVHBWUEO-NRFANRHFSA-N 432.867 5.789 30 50 IKEA N/C(=N\OC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Br)cc1 13110617 DLNWBXZXKHTZMW-UHFFFAOYSA-N 440.322 5.509 30 50 IKEA aggregator COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1 217738094 PQALWAMMDDOMKX-JWRUUXOFSA-N 449.462 5.301 30 50 IKEA biogenic COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 263586833 YKCFBZLHKFKMBQ-NBZOHKLQSA-N 448.858 5.111 30 50 IKEA biogenic O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 869997 RWPGUUJGDRLQDU-GDLZYMKVSA-N 432.523 6.487 30 50 IKEA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccsc1 1429677 WQHQQWGORFXHFO-MRXNPFEDSA-N 436.602 5.724 30 50 IKEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)cc2Cl)C(=O)C1 100006831 DQTUPAIZFSEFNI-IBGZPJMESA-N 437.363 5.853 30 50 IKEA N#Cc1cc(Cl)ncc1N=C(O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 328600352 XIYPEDKJBNBHRB-UHFFFAOYSA-N 444.244 5.178 30 50 IKEA CC1(C)OB(c2cn([Si](C)(C)C(C)(C)C)c3ccc(Br)cc23)OC1(C)C 1772572695 MHJFXMSQLQDCIE-UHFFFAOYSA-N 436.275 5.556 30 50 IKEA CCOc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 8439500 FDTIDYNSCPMNCV-VWLOTQADSA-N 445.559 5.433 30 50 IKEA C=CCSc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 2504203 XNSMVGXIAJTCIL-CQSZACIVSA-N 443.569 5.119 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 8972344 UIRHLVVFWAYYHY-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 19536175 DJZBLXGFFYGOPQ-VWLOTQADSA-N 431.532 5.185 30 50 IKEA CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccc(N(C)C)c3)C[C@@]21C 257357203 MREOZLCREPXSCQ-MKFFEXNQSA-N 429.604 5.407 30 50 IKEA COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)c1 8809737 ZBWSOZNGDDVKHX-UHFFFAOYSA-N 449.000 7.303 30 50 IKEA CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 8996291 GFZGGNOCYASFLQ-JOCHJYFZSA-N 448.906 5.305 30 50 IKEA N/C(Cc1cccc2ccccc12)=N\OC(=O)N1c2ccccc2Sc2ccccc21 9136834 OUWGAZDEOWEFCB-UHFFFAOYSA-N 425.513 6.094 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br 710623 DREGCMXRRNUOIK-RNODOKPDSA-N 446.385 5.395 30 50 IKEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O 720496 ALLHTRHSEXYSHK-QMTYFTJSSA-N 446.934 6.034 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1 2865483 NBBHMJXMRLARDM-IIBYNOLFSA-N 439.342 6.363 30 50 IKEA CCCOc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 8892465 QRFJIXQSKWMRLJ-LYZGTLIUSA-N 449.550 7.180 30 50 IKEA C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(Cl)c(OC)c3)c12 15822716 PRCJGTXFXJLODG-MDZDMXLPSA-N 440.330 5.995 30 50 IKEA COc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1Cl 8434829 URWRZNMVWVLYGW-ODLFYWEKSA-N 445.327 6.154 30 50 IKEA CC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681679 VEAHUEAEPJJBDN-UHFFFAOYSA-N 434.192 5.315 30 50 IKEA N#Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)sc2c1CCCC2 2420192 VNTVFDMASFOWOE-UHFFFAOYSA-N 426.497 5.524 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F 19761925 VNVRIFOIKKKMRY-NYHFZMIOSA-N 425.887 5.014 30 50 IKEA Cc1ccc(Oc2ccc(CNc3oc(-c4cccc5ccccc45)nc3C#N)cc2)cc1C 1857800876 YQFMXVHHSXVJDR-UHFFFAOYSA-N 445.522 7.388 30 50 IKEA COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2Cl)c1C#N 8809738 QIGYMGQSSIDDJI-UHFFFAOYSA-N 442.971 7.242 30 50 IKEA O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)CCC/C1=C\c1cc([N+](=O)[O-])ccc1Cl 25692775 MWEWOCIGOBYNOF-QHKWOANTSA-N 433.247 6.030 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2ccccc2cc1O 1160028 GLFMXWGDOFVUTH-UHFFFAOYSA-N 444.560 5.338 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1 1184396 BQEAGWNBPANOMQ-AOMKIAJQSA-N 439.602 5.395 30 50 IKEA Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 13304963 JPGWXONZVVNIMI-MFKUBSTISA-N 445.320 5.725 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1 14966054 HNNODYHRTBGTRI-FQEVSTJZSA-N 449.572 5.423 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccn1 16400156 WGBPAZJWJQUBBF-UHFFFAOYSA-N 448.857 5.418 30 50 IKEA CC(C)Cc1c(C#N)c(N)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N 19337928 SEZSGXTYASLHOL-UHFFFAOYSA-N 426.545 5.248 30 50 IKEA COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1F 1074521 XDKMKSMRMGPQFU-CRICUBBOSA-N 449.522 5.148 30 50 IKEA COC(=O)c1ccc(CSc2nc(C(F)(F)F)c3c(c2C#N)CCc2ccccc2-3)o1 2761703 NYTJMMXZDLJREY-UHFFFAOYSA-N 444.434 5.410 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1 9010455 HGIGHMZGXILPRD-RCDICMHDSA-N 427.953 5.245 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 29551444 ZGLHBRQAEXKACO-CTDODPKRSA-N 428.657 5.727 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccnc5ccccc35)CC(=O)O4)C2=O)cc1 217759562 XHQWTGPOCVGBEE-ZPZBNPFISA-N 449.462 5.301 30 50 IKEA biogenic O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 9110182 NYPUIMUEMHXKAX-FQEVSTJZSA-N 434.835 5.031 30 50 IKEA CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 4065486 FEAIPHNAYUBJNB-KCWXNJEJSA-N 438.571 6.845 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 8413282 VVJIIMFCLMYORP-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA CCCc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2c(nc3ccccc32)c1C#N 19808428 OGRRPFHHQYACIF-UHFFFAOYSA-N 443.982 5.287 30 50 IKEA N#Cc1c(N2C(=O)C[C@H](c3ccccc3F)C3=C2CCCC3=O)sc2c1CCCCC2 1430168 VZVPKTLQQRMNGH-QGZVFWFLSA-N 434.536 5.555 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 1445917 ZFRJQLJGTOIGFV-WXTAPIANSA-N 435.479 6.120 30 50 IKEA C=CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2060629 LAKCXVVECRMEIK-UHFFFAOYSA-N 442.628 6.189 30 50 IKEA C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 253598147 MQYXUWHLBZFQQO-SOTSMLHSSA-N 426.729 8.025 30 50 IKEA CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)C[C@H](c2ccccc2)CC1=O 1076679 SYRXVJCQXNAJMR-NRFANRHFSA-N 428.576 5.687 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 1176655 KEFQWZYOJXNKTN-JOCHJYFZSA-N 435.955 5.286 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O 13568559 SWQKAUBNQMTHIB-MRDQGFSESA-N 430.479 5.519 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1ccccc1O 16400692 ZETQDHKYDWHHLR-UHFFFAOYSA-N 443.450 5.466 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 17028005 AZRWCPUUKODWHN-JOCHJYFZSA-N 428.454 5.868 30 50 IKEA CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1 100990526 ZILOAZTVOLFCRO-UHFFFAOYSA-N 431.086 7.145 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)C[C@H]12 245253925 SZBWKZHLROZHJQ-IEOJDNJFSA-N 432.560 5.831 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1O 815892 XYKAAHIVTFOQNE-HFJWLAOPSA-N 426.516 5.689 30 50 IKEA C=CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 2208338 IYXIFBXMMFGACQ-UHFFFAOYSA-N 444.600 5.944 30 50 IKEA biogenic COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1COc1ccc(F)cc1 18172703 LIZRBLCKQSXCIM-UHFFFAOYSA-N 431.511 5.588 30 50 IKEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 20617934 WHJUXPWJZGURKU-ZVBGSRNCSA-N 435.292 5.188 30 50 IKEA O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)c3ccccc3)cc1N2 669925 KQWSHJJCECJSCG-RUZDIDTESA-N 439.471 5.412 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 9560047 VMJSNTZIJYYPPK-HYBUGGRVSA-N 439.511 5.492 30 50 IKEA CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c(OC)c1 16267733 PANTVYYITSYOMF-JAIQZWGSSA-N 429.973 5.395 30 50 IKEA COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2F)cc1 100345971 JUPPCYMDCKUKNV-VLSFKVKESA-N 429.447 5.017 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 252441229 LDRSZLORBJFCJZ-ANKXWIDRSA-N 427.629 5.306 30 50 IKEA biogenic C=CCn1nc(-c2ccc(N3CCc4ccccc43)cc2)nc1[C@@H]1C[C@]1(C)Br 1875348953 IGZSFHMYXACAOK-CVDCTZTESA-N 435.369 5.466 30 50 IKEA COc1ccc2c(c1)/C(=C1/SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2 2270495 CEGRGVVMJBBEEU-RELWKKBWSA-N 439.627 6.376 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccccc1Br)Nc1ccccc1-2 3000499 ZEVNDSJYXKRMDC-QGZVFWFLSA-N 427.327 5.082 30 50 IKEA CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 13571034 QEHNNDUUHHJSQI-FQEVSTJZSA-N 430.485 5.235 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 19536144 YTSBKNUBBRGSOM-NRFANRHFSA-N 433.470 5.549 30 50 IKEA CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 253499436 HDTQUHRXMVKWMI-CABDSGELSA-N 442.728 8.638 30 50 IKEA biogenic CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]4[C@]3(C)C[C@H]1O2 257350327 WJIXKJVODIQPNM-DFPJVFEVSA-N 444.700 7.376 30 50 IKEA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 2080806769 LDRSZLORBJFCJZ-AROXNORKSA-N 427.629 5.306 30 50 IKEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1123519 BHOVGMRNGZGRNQ-NIYFSFCBSA-N 425.488 5.883 30 50 IKEA C=CCN1C(=O)/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S 2856381 IRRXSMCJLXUQLK-XQNSMLJCSA-N 448.613 5.806 30 50 IKEA CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O 14686651 TYDBFNAOFZIICW-CQSZACIVSA-N 442.552 5.307 30 50 IKEA biogenic,in-vitro C#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2060677 RKTQAEYXBXWLHU-UHFFFAOYSA-N 426.585 5.246 30 50 IKEA biogenic CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)cc1 15800498 ZRJJEOLWVAPPKB-ZXGJNYTGSA-N 433.339 5.438 30 50 IKEA N#Cc1c(NC(=O)CN2CCCc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 220962133 DVDPXIWEVUEPTE-UHFFFAOYSA-N 433.511 5.877 30 50 IKEA O=C(C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O)c1ccc(Cl)cc1 263616722 KEXVCQFFPJYXCU-UHFFFAOYSA-N 431.847 5.268 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCc1ccccc1 1219402 FMXRLXNNXMDUPU-XMMPIXPASA-N 437.495 5.007 30 50 IKEA O=[N+]([O-])c1ccc(/C=N\Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 4577685 AMFHUDPQIPHXIT-NHDPSOOVSA-N 438.241 5.007 30 50 IKEA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC(F)F)cc3)c2C#N)C1 13959827 YSDXAPCZFLBDEP-FTXNUJCXSA-N 430.520 6.024 30 50 IKEA O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1ccc(-c2ccccc2)cc1 25584407 TZZQFQBNKIHCQR-UHFFFAOYSA-N 427.527 6.253 30 50 IKEA CCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 100730671 CSGHZFMNVVSDIF-UHFFFAOYSA-N 438.652 8.483 30 50 IKEA Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@]2(C)C(=O)c2ccc(Cl)cc2)c1 245255478 IPHQYXBFPOIGLR-RCXJIHSJSA-N 428.919 5.784 30 50 IKEA CCCC1(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(=O)OC2(CCCCC2)OC1=O 257354954 GQONRLKFRLHMSB-UHFFFAOYSA-N 442.327 5.060 30 50 IKEA O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 1445920 ZFRJQLJGTOIGFV-QYBDOPJKSA-N 435.479 6.120 30 50 IKEA CSc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 19770762 TXKMGHFTPVRGSX-XMMPIXPASA-N 433.573 5.162 30 50 IKEA Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 1216813 XLAHUQIIMZNDHU-BCHFMIIMSA-N 425.488 5.883 30 50 IKEA N#Cc1ccccc1NC(=O)CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2883734 FMWZMRCOSVPWAJ-UHFFFAOYSA-N 444.947 5.943 30 50 IKEA C=CCc1ccc(OCCOCCOc2ccc(Cl)cc2Br)c(OC)c1 2985410 GIFGRDWYXKCFEK-UHFFFAOYSA-N 441.749 5.314 30 50 IKEA COc1ccccc1/C=C\C(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 4552149 BEPYDKGHSWSSOC-KAMYIIQDSA-N 426.428 5.008 30 50 IKEA C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4=C(CCCC4=O)Nc4nc5ccccc5n43)cc21 226074035 FMTLDGNAGVCGTD-PUAOIOHZSA-N 426.564 5.780 30 50 IKEA C=C[C@H](CC[C@@]1(CC[C@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1 257358556 VDGIQSSYFMFIRB-JBNMYPGFSA-N 436.686 7.980 30 50 IKEA COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9109336 MKCLAPWUSSIDLX-XYOKQWHBSA-N 437.835 5.372 30 50 IKEA Cc1cc(OCc2ccc(/C=N/n3c(S)nnc3-c3ccco3)o2)cc(C)c1Cl 20617910 ZHMMYKPWTIFADX-LSHDLFTRSA-N 428.901 5.151 30 50 IKEA COc1cc(/N=C/c2cc(Br)cc(Br)c2O)c(OC)cc1Cl 86040449 ITKLRNMLTDZGIO-FBCYGCLPSA-N 449.526 5.338 30 50 IKEA C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccc(OCC)cc1 244773931 PIWVVAJPRBWCKN-UHFFFAOYSA-N 445.544 5.879 30 50 IKEA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 1843602 QQODLKZGRKWIFG-MOXGXCLJSA-N 434.294 6.317 30 50 IKEA in-man C[C@H]1CCc2c(sc(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)c2C#N)C1 2728135 CVAAWKFNLNQBEO-LBPRGKRZSA-N 440.462 5.414 30 50 IKEA Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 9434557 KUGGIIYEUXJTCI-HHHXNRCGSA-N 436.555 6.448 30 50 IKEA CCCCCCCCCC(=O)N[C@H](Nc1cccc(C(=O)O)c1)C(Cl)(Cl)Cl 97950794 PQUABKUSBHTACD-SFHVURJKSA-N 437.795 5.750 30 50 IKEA C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)C[C@]21C 261493089 SSBVUUVGCIMTCL-BQTYIAINSA-N 426.685 6.526 30 50 IKEA biogenic CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 1082103 KCENSAJUJSBWMW-MBSDFSHPSA-N 436.939 5.048 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])o2)cc1 4402972 VRGBYQUSAQYZMH-OYLFLEFRSA-N 431.448 5.176 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)NCc1ccccc1 8991541 GIZLWNSHYMYEQE-UHFFFAOYSA-N 427.451 5.048 30 50 IKEA CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 13568679 YSNMAQAFVVBILW-HFJWLAOPSA-N 430.573 6.515 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC 709671 BMGCNEXJQXCUPY-WXTAPIANSA-N 427.504 5.078 30 50 IKEA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 1130190 YDGAXONAICYVCT-NRFANRHFSA-N 426.438 5.312 30 50 IKEA CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4047856 AGQNVTZMIXEHKC-MNNSJKJDSA-N 437.587 6.512 30 50 IKEA C=C[C@@]1(C)C[C@H](S(=O)(=O)c2ccccc2)O[C@@H]([C@]2(C)C3=C(CCC3=O)CC[C@H]2C)C1 71786330 CQXWQXWSQQSTQB-HDMDDYEVSA-N 428.594 5.253 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 2865441 XCQYTDYOONTSMC-SFHVURJKSA-N 439.298 5.938 30 50 IKEA COc1ccc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)cc1 16382241 JRLFMUPXJYWWIY-UHFFFAOYSA-N 433.577 5.160 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccccc1OCC(N)=O 684838 JHFCDXVXPJCLHW-AREMUKBSSA-N 426.516 5.013 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 970923 CSZDKWFUAMZIAD-CRICUBBOSA-N 434.461 6.685 30 50 IKEA N#Cc1cc2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCCC2 6456741 VYNYDNVVUQFMSI-UHFFFAOYSA-N 439.890 5.625 30 50 IKEA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F 14299868 GHMKQBWHPQMXSH-UHFFFAOYSA-N 437.649 5.439 30 50 IKEA in-vitro CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 19535939 WEUPWBNKPHPDRU-NRFANRHFSA-N 444.369 5.293 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3 257349209 MNPFRDKDRKYDAA-SOTKZAEUSA-N 442.684 7.283 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 986590 ZTASUGYKTPNPGU-BCHFMIIMSA-N 442.584 6.305 30 50 IKEA Cc1ccc(C(=O)C2=C(N)N(c3cccnc3)C3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 1130416 RSQCHAOFARIGAM-QHCPKHFHSA-N 441.556 5.116 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 1408929 UXXFGVKPOTVQKM-WINIVTDRSA-N 426.516 5.683 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 1155930 GAPWZHICPGVRHT-XMMPIXPASA-N 447.531 5.027 30 50 IKEA Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 1216815 XLAHUQIIMZNDHU-SIBVEZHUSA-N 425.488 5.883 30 50 IKEA C#CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 2117657 ISSYGQRVUKSIKP-UHFFFAOYSA-N 428.557 5.001 30 50 IKEA biogenic N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 2875225 JSLSKEOLLHWVNT-UHFFFAOYSA-N 428.513 6.003 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 4078031 NNEXSNHINRWDGU-IVCQMTBJSA-N 435.354 6.973 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 15836250 VJZJITIIANLCTI-FQEVSTJZSA-N 428.504 5.269 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl 18107332 AGSJCDZPIJHFJN-QFIPXVFZSA-N 429.347 6.156 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19855324 PUMHXNHZVUZKGS-NBGIEHNGSA-N 433.523 5.387 30 50 IKEA CCCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21 100070956 MFYGWCVLNPQWRR-UHFFFAOYSA-N 437.219 7.680 30 50 IKEA in-vitro Cc1nn(-c2ccccc2)c(CN(Cc2ccccc2F)C2Cc3ccccc3C2)c1C#N 2325867402 UZSVNCXFRZKNLU-UHFFFAOYSA-N 436.534 5.361 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccc1F 649724 KGDSYAUFSTYSMI-SANMLTNESA-N 440.518 6.283 30 50 IKEA COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 667217 UGKPFACXVQUBKU-UHFFFAOYSA-N 429.944 5.027 30 50 IKEA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 1175427 GNFWYUKPEKUBAW-OAQYLSRUSA-N 444.428 5.451 30 50 IKEA N#Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 2886379 ALNIIGVZLRQHRL-UHFFFAOYSA-N 448.857 5.418 30 50 IKEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 9348149 ZHPSZZSUZUNKQM-MFKUBSTISA-N 446.532 5.086 30 50 IKEA Cc1c(Cc2ccc(Cl)cc2)c(-n2cnc3ccccc32)n2c(nc3ccccc32)c1C#N 9507578 GPJLVTCRANENRU-UHFFFAOYSA-N 447.929 6.251 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)NCCN(C)c1ccccc1 100970910 IEJSHGHNPDBCGX-UHFFFAOYSA-N 445.736 7.684 30 50 IKEA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@H]3CC[C@]21C 257350121 UXGWFWJQNSRBBQ-HJYXIWIOSA-N 426.685 7.895 30 50 IKEA O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 1220858 MFFDKMQSIXVXRN-AWEZNQCLSA-N 430.154 5.218 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccco2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 2844404 YVXMMMIGPJJACV-DWXRJYCRSA-N 449.522 5.656 30 50 IKEA CCN(CC)c1ccc(/C=N/Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)cc1 9542082 TZKRCBPRLXRXGF-MQRLXVCBSA-N 449.668 6.525 30 50 IKEA CC1CCN(CN2C(=O)/C(=N\c3ccc(OC(F)(F)Cl)cc3)c3ccccc32)CC1 12417802 CZCVSZJCVBULKX-QOMWVZHYSA-N 433.886 5.011 30 50 IKEA CCCCCCCc1c(C#N)c(=O)oc2c(Br)c(O)c(Br)cc12 253470600 NASLVJKXGCCATF-UHFFFAOYSA-N 443.135 5.408 30 50 IKEA Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] 861116 MBGAFOVYUZEWKC-AFMDSPMNSA-N 425.488 5.883 30 50 IKEA Cc1ccc(C)c(-c2csc(NC(=O)/C=C/c3ccc(Br)cc3)c2C#N)c1 2773632 JBUKEJILUJRXRX-JXMROGBWSA-N 437.362 6.318 30 50 IKEA CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 8413556 WTIZSDUJURQMSX-XMMPIXPASA-N 445.563 5.031 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC 9007926 CFXRUWIAACZKTI-RUZDIDTESA-N 434.536 5.257 30 50 IKEA O=C(/C=C/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 13532463 PDVGYBUXCSPYFL-QLWRNEEHSA-N 443.930 5.303 30 50 IKEA CCCc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2c(nc3ccccc32)c1C#N 20057844 IRACIFTWIRYNOE-UHFFFAOYSA-N 443.982 5.287 30 50 IKEA N#Cc1c(O)nc(O)c(C#N)c1-c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 44123166 JGRJYZRLMWAVNH-UHFFFAOYSA-N 449.466 5.061 30 50 IKEA COC(=O)c1ccc(/C=C2/C[C@@H](C(C)(C)C)C/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 252346961 NADWIFYTOHURMR-NCBKXCMZSA-N 446.543 5.752 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1OC 709635 SQPJLGCMLIETMA-MRDQGFSESA-N 446.572 6.053 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1 997341 NZUPJUOBQUUWIH-DEOSSOPVSA-N 446.934 6.390 30 50 IKEA O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1Cl 1079882 DEMUMECVKQQPIA-LBPRGKRZSA-N 436.758 5.692 30 50 IKEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1OC 9087752 QFAIFCOJESFSFW-JOCHJYFZSA-N 449.890 5.140 30 50 IKEA CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 9680430 DVWBBQPDRSRDCA-HSZRJFAPSA-N 429.347 6.300 30 50 IKEA CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(NN)cc1 101016831 JGQIXXYPXISIQT-UHFFFAOYSA-N 425.683 6.074 30 50 IKEA COc1ccc2[nH]c3c(=O)n(N=C[C@H]4CC=C(CCC=C(C)C)C[C@@H]4C)c(O)nc3c2c1 253534154 ZTMKRAFIEVYSGH-FUHWJXTLSA-N 434.540 5.145 30 50 IKEA biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]([C@@H](C)[N+](=O)[O-])[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 827598168 VOETZVYTDQTIBX-HBVFLTIUSA-N 446.588 5.239 30 50 IKEA COc1ccc(C(=O)CSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)cc1OC 803990 AYVYJFNGADIMAF-UHFFFAOYSA-N 438.471 5.262 30 50 IKEA N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccc(Cl)cc31)CCC2 8856114 ZENWZDSYMPICQH-UHFFFAOYSA-N 449.988 6.017 30 50 IKEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Oc2ccccc2)c1 9546458 YCESPSWTHZCRKN-RUZDIDTESA-N 447.534 6.417 30 50 IKEA O=C(/C=C/c1ccc(F)cc1Cl)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 253536216 JXJFMJNOQPFLSN-YRNVUSSQSA-N 438.285 6.949 30 50 IKEA CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]12 257348675 HXUGNDVVHVLCAY-KLDKZMGUSA-N 442.684 7.139 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257350152 VEEBKUQFPONGGR-ILZOKFJHSA-N 444.700 7.171 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 2788649 ZYTGHOYEGAMYNS-HSZRJFAPSA-N 425.544 5.696 30 50 IKEA CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 97950784 RSDDXNATUIZKTN-HNNXBMFYSA-N 434.622 6.578 30 50 IKEA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257358571 VEEBKUQFPONGGR-XOGGIGDWSA-N 444.700 7.171 30 50 IKEA O=C1C=CC=C/C1=C/C=c1ccc(=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1 409415902 OKJYKDQIGPYCKE-XXGYMJRSSA-N 426.515 5.352 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 1857741699 VOETZVYTDQTIBX-NXINNWMTSA-N 446.588 5.239 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccnc2)cc1 1001500 VQEAGRYMZHFYAX-DCFHFQCYSA-N 439.515 5.011 30 50 IKEA CSc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 1185118 VOAABNTYLFSTQX-SANMLTNESA-N 440.568 6.225 30 50 IKEA CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)ccc21 4062292 YINWYWNTGNNZFR-NDEPHWFRSA-N 435.571 7.036 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1OC 9559906 GIPWOQUJELTBGT-BBRMVZONSA-N 446.330 5.015 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccccn1 12384441 NLCMJXJYNAJVLZ-HHHXNRCGSA-N 437.543 5.467 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc5ccccc5c4)c3c2C1 25559701 CKEDGCDUCJJIIR-BKXZIFFXSA-N 442.632 7.222 30 50 IKEA CCOc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 25560179 OZHKBXNNFKQDBH-CVKSISIWSA-N 443.528 6.110 30 50 IKEA Cc1ccc(Oc2ccc(CNc3oc(COc4ccc(F)cc4)nc3C#N)cc2)cc1C 1857800739 SCYDZWPNGRSTRU-UHFFFAOYSA-N 443.478 6.286 30 50 IKEA C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccc(C)c(Cl)c1 992443 KTPDPPXJUVXQGD-KHUIZHDGSA-N 441.984 5.412 30 50 IKEA Cc1ccccc1Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nc2c(C)cccc12 2913406 PCCHTVQSWMOTDK-UHFFFAOYSA-N 434.330 7.268 30 50 IKEA COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccc(Cl)cc2)cc1 4546627 BDJDWCPJUGITMR-SVBPBHIXSA-N 439.942 7.166 30 50 IKEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 16213205 AWIYDOPOGWXPKE-SSOJOUAXSA-N 429.451 5.713 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 18143242 GDCZHXZFINBTRP-WXTAPIANSA-N 430.935 6.328 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C 19761819 DFPGCFXBBZYONE-UQBPGWFLSA-N 431.532 5.008 30 50 IKEA CCCCCCCCCCCCc1nc(C)c(CCCCCCCCCCCC)nc1C 97950621 PTJHWLTXDXYAMX-UHFFFAOYSA-N 444.792 10.020 30 50 IKEA Cc1nc(N/N=C2/C[C@H]3C[C@H]2[C@H](C)C3(C)C)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 100300513 KEQZDFJKOYAAEQ-NZNFTEKUSA-N 427.530 5.082 30 50 IKEA CCCCCCCCCCCCCCCCCC[C@H]1NC(CC(=O)O)=[N+](CC)[C@@H]1O 101683473 JMHNSQADFAHCJD-RCZVLFRGSA-O 425.678 5.834 30 50 IKEA CC(=O)c1c(C)nc(SCC(=O)Nc2ccccc2)c(C#N)c1/C=C/c1ccccc1 951723508 ZICOGCCOAIKXLQ-BUHFOSPRSA-N 427.529 5.366 30 50 IKEA S=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 2542732 VUMZXCIROYJTFK-ZMOGYAJESA-N 430.360 5.893 30 50 IKEA COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)c3c(c2C#N)CCCC3)cc1 8385210 FSDVDERWMJINQC-UHFFFAOYSA-N 432.520 5.622 30 50 IKEA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1OB(F)F 169806182 TYUJGNSCNIWVLJ-SFQUDFHCSA-N 428.243 6.618 30 50 IKEA CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 252430996 XLLVCEWUWMRFCJ-QBCHSUENSA-N 443.635 6.570 30 50 IKEA CCCCCCCC[C@H](CCCCCC)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 1848351619 XXJQRXNTPDYOCY-QFIPXVFZSA-N 434.539 7.927 30 50 IKEA COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 8414961 BDFRDFCFDWYBNM-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA C=C(C)[C@@H]1CC=C(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)CC1 12586774 CIXVZYOFCZIULW-JOCHJYFZSA-N 438.612 5.077 30 50 IKEA Clc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 17952025 IZKKTDYBAJIIHM-GFTXTJKWSA-N 443.377 8.085 30 50 IKEA CCCCCCCCCCCCOC(=O)C[n+]1cccc(C(=O)Nc2ccccc2)c1 100857799 KLLNNGDQXABIGP-UHFFFAOYSA-O 425.593 5.691 30 50 IKEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1c3cc(C(F)(F)F)ccc3N[C@@H](c3ccc(C#N)cc3)[C@H]21 1848443985 YOSXNYRXMMTPFT-ACKNAASYSA-N 426.438 5.415 30 50 IKEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O 720495 ALLHTRHSEXYSHK-AKJBCIBTSA-N 446.934 6.034 30 50 IKEA C[C@H]1CCc2c(sc(NC(=O)c3cccc4c(Br)cccc34)c2C#N)C1 1127678 NFVHGMOUROWBMV-LBPRGKRZSA-N 425.351 5.913 30 50 IKEA N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 3462383 NOAWEEYYENTJKQ-UHFFFAOYSA-N 432.504 6.173 30 50 IKEA COCC/N=C(/O)c1ccc(OC2CCN(C/C(C)=C/c3ccccc3)CC2)c(Cl)c1 14970822 VCCSYJWDYVAOPK-KNTRCKAVSA-N 442.987 5.238 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 257346687 KNJVWAVLNHNHKV-CYLIMVRESA-N 430.654 6.502 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 781130 COCBLBSQRYDPIB-DNOBIOAJSA-N 426.516 5.683 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(CC)cc1 2757374 LROSTCZLJWODRG-GJZUVCINSA-N 429.560 5.564 30 50 IKEA C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 2161855 UDGAXPRWOLJBBQ-UNOMPAQXSA-N 447.915 5.679 30 50 IKEA C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 2164786 RNZFBYOSZMLDMB-SXGWCWSVSA-N 438.719 5.900 30 50 IKEA CCOc1cc(C#N)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OCC 12411334 JBGZBGHIRTWEBQ-UHFFFAOYSA-N 437.323 5.460 30 50 IKEA CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 100061159 LCWOHEQEDRUWFP-UHFFFAOYSA-N 426.623 6.354 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 709498 KMNOZBRXYDIKND-AVRWGWEMSA-N 434.461 6.685 30 50 IKEA CS[C@H]1CCCC[C@@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1145231 JYUVZCUGGYUEOC-FUHWJXTLSA-N 444.569 5.829 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 3772463 WFCYVGXXJPBHNY-MHZLTWQESA-N 445.607 6.086 30 50 IKEA CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 5092529 KNSLAUYCFAAQEL-PPHZAIPVSA-N 427.548 6.105 30 50 IKEA C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 12342949 ZPMUQRJHSHASDR-VNSNFZHPSA-N 438.358 5.761 30 50 IKEA BrC(=C\c1ccccc1)/C=N/N1CCN(Cc2cccc3ccccc23)CC1 12558495 WEVQENAYLUVJHK-QPFIVIFOSA-N 434.381 5.379 30 50 IKEA C=CCn1c(SCC2CCCCC2)nnc1C1CCN(Cc2cccc(C)n2)CC1 14984452 XWGSIFXUQLLGRR-UHFFFAOYSA-N 425.646 5.220 30 50 IKEA C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O 257357609 PBCULPOTNCGYFY-JBUIQZJLSA-N 442.596 5.328 30 50 IKEA COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc(Cl)c1OC 717711 DQROHLGPGSBAHS-HSZRJFAPSA-N 447.962 6.711 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccccc1 1219403 FMXRLXNNXMDUPU-DEOSSOPVSA-N 437.495 5.007 30 50 IKEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2544620 DKNDGGJFBXFFLE-UHFFFAOYSA-N 441.000 5.813 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccs2)C2=C(C[C@H](c3ccco3)CC2=O)N1 4612992 IYRMYBMNAPPNAO-FYSMJZIKSA-N 445.544 5.045 30 50 IKEA C=C1/C(=C\C=C2\CCC[C@]3(C)[C@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O 100016422 DJXFYPCZCCPBLC-XFVUMEGDSA-N 426.641 5.481 30 50 IKEA in-vitro CCOC(=O)c1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1 100743591 UACGHASZPFYBLQ-UHFFFAOYSA-N 436.577 5.036 30 50 IKEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 1772491841 UOCUEIOMIAYZNI-JVKJHZRISA-N 428.613 5.468 30 50 IKEA CCOc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 8413551 WTIZSDUJURQMSX-DEOSSOPVSA-N 445.563 5.031 30 50 IKEA O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 9113203 RYVDBLNLUOGLOD-QRQCRPRQSA-N 427.887 5.628 30 50 IKEA [N-]=[N+]=Nc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N=[N+]=[N-])cc4)cc3)cc2)cc1 15636547 RVGWONWUJLHABN-UHFFFAOYSA-N 448.442 8.386 30 50 IKEA C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 16732249 KIHDCBXSHUIXFX-XMMPIXPASA-N 443.499 5.185 30 50 IKEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc12 666967 XQSQMDZQANDGKB-JIPXPUAJSA-N 437.539 5.765 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 883126 DVDPCBUPISECOT-QMTYFTJSSA-N 432.470 5.953 30 50 IKEA C=CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 1791911 SDPWLQQQGILKIE-UHFFFAOYSA-N 428.601 5.799 30 50 IKEA biogenic CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCC)c(OC)c1 2055151 XUSXREMOXJOAHW-DEOSSOPVSA-N 441.568 5.185 30 50 IKEA CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 16426552 BINPVEMYXWENRX-CLYVBNDRSA-N 444.962 6.718 30 50 IKEA COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)C#Cc1ccccc1 19638805 IWFKAMGOHJBITP-UHFFFAOYSA-N 443.568 6.240 30 50 IKEA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 20606251 YBSVIYLDKAMQIP-KGLIPLIRSA-N 427.526 5.085 30 50 IKEA COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 253501624 PFLCXOYUUHWAGR-JJYFZJQISA-N 439.640 5.984 30 50 IKEA biogenic COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O 263586473 UTXXZOLHNGBYPU-CFKHXJFWSA-N 449.462 5.301 30 50 IKEA biogenic N#Cc1c(-c2ccccc2)[nH]c2nnc(-c3ccc(Cl)c(C(F)(F)F)c3)c-2c1C1CC1 725236963 UXLUNMKSQUMWLH-UHFFFAOYSA-N 438.840 6.665 30 50 IKEA Cc1ccc([C@H](CNc2oc(COc3ccccc3F)nc2C#N)N2CCC(C)CC2)o1 1775975949 MLRQVYSMNZOQKF-FQEVSTJZSA-N 438.503 5.051 30 50 IKEA C=CCc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(CC=C)C2=O)c1 8872399 LBUXNANMINAWKD-XLNRJJMWSA-N 437.586 5.260 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)ccc2C)SC1=S 15857090 BPOOJJIGRJUPKQ-CJLVFECKSA-N 439.602 5.539 30 50 IKEA N#Cc1c(C(F)(F)F)cc(Cc2ccccc2)nc1SCc1ccc(C(=O)O)cc1 8451277 VBAPQLRJWGBFHA-UHFFFAOYSA-N 428.435 5.553 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccccn1 12384440 NLCMJXJYNAJVLZ-MHZLTWQESA-N 437.543 5.467 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)c3ccc(C)cc3)CC[C@@H]12 248114358 ZJUABQDERHSYQM-JMTTVTNBSA-N 440.605 5.634 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl 668372 BWBNFUAXBGAFBL-QHCPKHFHSA-N 443.374 6.546 30 50 IKEA C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 2836596 LUPOCOYEZXNCIE-UHFFFAOYSA-N 425.517 5.136 30 50 IKEA O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C\c1ccccc1[N+](=O)[O-] 4531649 UVZRGIGWZSLUIN-AWKIKHLOSA-N 430.460 6.226 30 50 IKEA COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 9041176 DYQWWXXDCPZJAQ-QHCPKHFHSA-N 431.488 5.190 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N3CCCCC3)c2C#N)cc1 888145 QXLLARCPQOCPND-UHFFFAOYSA-N 443.572 5.400 30 50 IKEA C=C(C)Cn1c(SCC(=O)Oc2ccccc2)nc2sc3c(c2c1=O)CCCCC3 1162363 PYQGMYXIAPITIS-UHFFFAOYSA-N 440.590 5.001 30 50 IKEA CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 1213028 IEZGPYRAYNHBCB-XCLFUZPHSA-N 435.486 5.651 30 50 IKEA COc1ccccc1-c1cc(-c2ccccc2)nc(SCCN2CCCCCC2)c1C#N 2217452 RHNILBICAZCEPZ-UHFFFAOYSA-N 443.616 6.264 30 50 IKEA C=CCN(CC=C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 9994665 MZAPZNQSLWJYLY-INIZCTEOSA-N 442.650 6.027 30 50 IKEA COC(=O)c1ccc(/C=C2/C[C@H](C(C)(C)C)C/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 252346960 NADWIFYTOHURMR-BUBJVVLKSA-N 446.543 5.752 30 50 IKEA CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)O)cc1 101015818 XFSMHGSDWRPVAM-UHFFFAOYSA-N 446.675 6.188 30 50 IKEA CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1430112 PBTQKDHOKIUUQU-DOTOQJQBSA-N 429.347 5.187 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 2073019 NEUHYIQTLUDKOE-OPAMFIHVSA-N 441.980 5.716 30 50 IKEA CCOc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013705 MTTFLXDXMWWTIH-DEOSSOPVSA-N 448.538 5.467 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 18324598 KFMRSICDARYYBV-WINIVTDRSA-N 426.516 5.683 30 50 IKEA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 20606252 YBSVIYLDKAMQIP-KBPBESRZSA-N 427.526 5.085 30 50 IKEA CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(N)cc2)n1C 100854442 JQINDLBTPFVKGD-UHFFFAOYSA-N 427.677 7.172 30 50 IKEA O=C(/C=C/C=C/c1ccccc1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2309679 PDVGYBUXCSPYFL-SWIXBYDISA-N 443.930 5.303 30 50 IKEA CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 4043965 CDZJJLMRMQTLMI-RUZDIDTESA-N 436.596 5.377 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)NCc1ccco1)c1ccccc1N2 12652157 FZEASFVXNGYIKW-DEOSSOPVSA-N 447.922 5.823 30 50 IKEA COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)c(OC)c1 15659925 TXLGTBYZHLTLKB-KAMYIIQDSA-N 425.484 5.417 30 50 IKEA C[C@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl 102265849 OMNFGJKJTUMWAP-NLCLAEEJSA-N 426.170 7.766 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1Cl 682658 CTZAXLCKRMFICN-HXUWFJFHSA-N 448.872 6.045 30 50 IKEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(Oc3ccccc3)c2)C1=O 6378675 PJRDDFLGOUFKBY-XLNRJJMWSA-N 443.524 6.023 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 626970 YGGFGMYIPDTDLB-XMMPIXPASA-N 431.532 5.043 30 50 IKEA CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 22135311 PIXIVVCSXXSSGG-FQEVSTJZSA-N 436.895 5.408 30 50 IKEA C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3c(C)cccc3C)c2)SC1=S 22257317 DCELAXMYPYGBPS-LTGZKZEYSA-N 439.602 5.539 30 50 IKEA Cc1ccc([C@H](/N=C(/O)c2cc(F)ccc2I)c2ccccn2)cc1 328589867 LVHIDSGPROTLLZ-IBGZPJMESA-N 446.263 5.228 30 50 IKEA CC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1/C=C/c1ccccc1 951723437 GQVQMNHWPBZTGE-SDNWHVSQSA-N 441.556 5.674 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 688404 GCNGHUCAMXSTCS-NRFANRHFSA-N 441.453 5.015 30 50 IKEA Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)c(C)c1 12953868 PWOSTUOCBMDMHG-OVCLIPMQSA-N 448.584 6.399 30 50 IKEA CCCCCCCNc1c(C(=O)c2ccccc2)cc2c3c(cccc13)C(=O)c1ccccc1-2 100366204 HFCOSDZIJYZOIB-UHFFFAOYSA-N 447.578 7.665 30 50 IKEA CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(Cl)nc1 100857605 YNSPXKZBIVDTNI-UHFFFAOYSA-N 431.086 6.837 30 50 IKEA C=C[C@H](Cc1nc(-c2cc3ccccc3cn2)nn1-c1cccc(OC)c1)c1ccccc1 1875347410 OJGQPQGDPFDJIK-HXUWFJFHSA-N 432.527 6.003 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O[C@H](C)CC 671957 BELHMXOTTYPSEN-CLYVBNDRSA-N 446.591 6.417 30 50 IKEA CN(C)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 1421739 CKRGZYBCQPGMIS-HRFSGMKKSA-N 434.539 6.457 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl 18107335 AGSJCDZPIJHFJN-JOCHJYFZSA-N 429.347 6.156 30 50 IKEA COc1ccc2c(-c3ccccc3)c(/C(O)=N/Cc3cnc(Br)s3)oc2c1 328591538 YXWHZODBWHDRBL-UHFFFAOYSA-N 443.322 5.832 30 50 IKEA O=C(Oc1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1)c1ccc(Cl)cc1 2542587 RHPMDYYWMWPGAL-ZMOGYAJESA-N 444.343 5.533 30 50 IKEA OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95671128 LWCLGUDCFDTQBF-UHFFFAOYSA-N 428.135 5.133 30 50 IKEA in-vitro C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 100685922 GTMJEAVXRNJUAA-WIYYLYMNSA-N 429.383 5.193 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1OC 812850 KEJCZAYCFMYQRW-XGCWNURASA-N 444.506 5.822 30 50 IKEA COc1cccc([C@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 893671 IQINLGKEWVTTPJ-WXTAPIANSA-N 430.935 6.328 30 50 IKEA CCOc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 8439503 FDTIDYNSCPMNCV-RUZDIDTESA-N 445.559 5.433 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccco1 9082841 MQPHVQVIGXMZRJ-AREMUKBSSA-N 426.516 5.665 30 50 IKEA CN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1 20470050 CSEWJOXSVCTUKZ-OTYYAQKOSA-N 447.170 5.193 30 50 IKEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 253617487 PMBSWZWCNKVWLV-KAIPXGEMSA-N 442.684 7.139 30 50 IKEA Cc1cc(Oc2ccc(CNc3oc(Cc4ccccc4)nc3C#N)cc2)ccc1Cl 2050025100 SUVIAEMTEZPDAE-UHFFFAOYSA-N 429.907 6.503 30 50 IKEA Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 1084148 IASDRNVNEONLOG-VWLOTQADSA-N 425.532 5.482 30 50 IKEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Oc2ccccc2)c1 2190441 SAPYUMSWCLGZQY-VWLOTQADSA-N 447.531 5.027 30 50 IKEA CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 15836440 XDBFHSYJDSNEQP-QFIPXVFZSA-N 438.930 5.722 30 50 IKEA COc1ccc(N(c2ccc(OC)cc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 208939815 MARLZALFJNQDEJ-UHFFFAOYSA-N 431.341 5.473 30 50 IKEA O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1 334162613 COQSTYJJLXBXGJ-VXLYETTFSA-N 430.975 7.863 30 50 IKEA CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 805505 BFLSOFSVIURLKS-NGOKVRLYSA-N 440.543 6.073 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1467859 KGWJKHNQEUXZHS-HFJWLAOPSA-N 441.487 5.583 30 50 IKEA CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)c2ccc(Cl)cc2)C1 2570718 HCGGXWLPAVGAIW-UHFFFAOYSA-N 431.897 5.798 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(O)cc1 9246682 UHKFJYFVMFKIQX-AREMUKBSSA-N 438.527 5.845 30 50 IKEA COc1cccc([C@H](C#N)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1OC 768156023 IWCKINCAWCMPCR-FQEVSTJZSA-N 440.421 5.384 30 50 IKEA C=C(CN1CCC[C@H]1c1ccccc1Cl)C(=O)N[C@@H](c1ccccc1)c1cccnc1 2325826360 ZVXSDBPCJMECGP-DQEYMECFSA-N 431.967 5.334 30 50 IKEA COc1ccc(OC)c(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c1 22205938 QEMPFDANDCLWEO-YSURURNPSA-N 426.847 6.250 30 50 IKEA CCOC(=O)N1C=C[C@H]2C=C[C@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@@]21c1ccccc1 101042795 ZLEIAUDTJAGXJQ-NAETUBRWSA-N 425.528 5.528 30 50 IKEA Cc1ccc(Oc2ccc(CNc3oc(-c4ccc(Cl)cc4)nc3C#N)cc2)cc1C 1857800894 ZZGKAIJUJNQMBZ-UHFFFAOYSA-N 429.907 6.888 30 50 IKEA COc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2506408 MFQMBPDSNLOOMZ-CVKSISIWSA-N 445.523 5.008 30 50 IKEA C=CCn1c(CN(C)Cc2ccc(-c3ccccc3C)cc2)nnc1SC[C@H]1CCCO1 55182730 QWBYJVSUEFAZFR-HSZRJFAPSA-N 448.636 5.343 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257348902 JVBJMRIVVNLPKI-UKCISVJFSA-N 433.677 6.024 30 50 IKEA COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 666737 TZHQCUTUDAQUHL-RLWLMLJZSA-N 445.559 5.256 30 50 IKEA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2ccccc2)c1 2542598 MUPYNUJGZUCIKW-WPWMEQJKSA-N 439.540 5.688 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 18137672 FCTUPJZLWWGATE-HRFSGMKKSA-N 426.491 5.746 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 1217701 PIKWZUCRTCRENM-DWXRJYCRSA-N 441.487 5.583 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 18324215 MMJIPLSDWUQPEK-MHZLTWQESA-N 445.607 6.086 30 50 IKEA Brc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 19848778 HYATVAXGRXVDKZ-LGUFXXKBSA-N 434.381 5.190 30 50 IKEA CCCCCCCCCC(=O)N[C@@H](Nc1cccc(C(=O)O)c1)C(Cl)(Cl)Cl 97950795 PQUABKUSBHTACD-GOSISDBHSA-N 437.795 5.750 30 50 IKEA C=CCOc1ccc([C@@H]2[C@@H](CCC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 139873340 CRAXEGWIEKMGLK-AOYPEHQESA-N 447.481 5.897 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 253502204 MQYXUWHLBZFQQO-UJZGQTOSSA-N 426.729 8.025 30 50 IKEA in-vitro COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1OC 883393 BXJTUGWLCUHXTK-HMILPKGGSA-N 440.543 5.992 30 50 IKEA CCOc1ccc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 6296266 JIXRALDUESHLDT-UHFFFAOYSA-N 428.941 5.295 30 50 IKEA CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 13568545 XNPQQCZYFCCLKP-WGDIFIGCSA-N 430.573 6.515 30 50 IKEA CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl 100611972 PFQDBCCUCKOIFO-MRXNPFEDSA-N 438.852 5.454 30 50 IKEA COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(=O)(=O)Cc3ccccc3)n2)cc1 1119704 RFACMNBJPKLSCG-UHFFFAOYSA-N 440.524 5.270 30 50 IKEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 2292163 ZBYISUQVRYYTTR-ZDUSSCGKSA-N 445.009 5.397 30 50 IKEA N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(F)c1 8590623 QFFQPHWQTVBBAU-UHFFFAOYSA-N 426.234 6.065 30 50 IKEA CCCCCCCCCCCCCC[C@H](OCCCCCCCCCCCC)[C@@H]1CO1 1525673767 SLXJGQQISNMEOA-VMPREFPWSA-N 438.781 9.783 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1183785 ZTEHWVZATXHWEJ-QRQCRPRQSA-N 441.980 5.715 30 50 IKEA Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2Br)n[nH]c1=S 2304342 CLGBXVDKMTUISC-SRZZPIQSSA-N 425.311 5.111 30 50 IKEA COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1 12437351 SRHPYMJSPOOPMI-RCCKNPSSSA-N 427.500 5.445 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]([N+](=O)[O-])C[C@]4(C)[C@@H]3CC[C@@]12C 257348220 CKRLTARSGDZFIB-HTFDCONISA-N 431.661 6.932 30 50 IKEA COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccs1 781601 CPBIHIHWHZSILW-FYSMJZIKSA-N 437.561 5.070 30 50 IKEA N#Cc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1067681 HUVMRDVZDJAZMB-UHFFFAOYSA-N 444.463 5.303 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1202510 JEBIZTUAMZAJHH-RLWLMLJZSA-N 427.544 5.534 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccc(C(=O)c3ccccc3)cc1N2 1202885 VYWNXLFAJOZAHZ-VWLOTQADSA-N 428.919 6.157 30 50 IKEA COc1cc(/C=C2/CCC/C(=C\c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O 8672196 TYDRJXNCYVKYQC-QSPLRUFESA-N 435.303 5.642 30 50 IKEA O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 8817352 OFUDCQMFADEAGB-INIZCTEOSA-N 431.300 5.233 30 50 IKEA COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC 8927119 GCYFXVGPAAVVBB-UKTHLTGXSA-N 443.930 6.777 30 50 IKEA CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Br)cc1 9086162 UDSWMTLCRITWHE-UHFFFAOYSA-N 433.353 6.516 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccccc2)cc1 18324468 CHAKSZGALGQIOW-PIKZIKFNSA-N 438.527 5.616 30 50 IKEA CCCCCCCCCCCCCCCCCCc1ccc2cc(/C(C)=N/O)ccc2c1 100166950 NWPNYXRNIAURSB-GKPLWNPISA-N 437.712 9.842 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1OC 815786 NOXGFUIHZRXLNU-XHCCPWGMSA-N 440.543 5.992 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 1129672 QMXFSNDVGFEAOF-CJAUYULYSA-N 449.522 5.656 30 50 IKEA Clc1cccc2c(C#Cc3ccccc3)c3c(Cl)cccc3c(C#Cc3ccccc3)c12 2559800 DCCXNTCSVXAHAN-UHFFFAOYSA-N 447.364 8.099 30 50 IKEA CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 8740839 KESLFXKGVCKTDC-SFHVURJKSA-N 436.514 5.296 30 50 IKEA aggregator C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 136736016 FVWJYYTZTCVBKE-STIYEXJSSA-N 442.728 6.997 30 50 IKEA biogenic CC(C)=CC(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2C1=O 138112754 FPBGDMGTAHIUMI-ULXDPTIJSA-N 440.672 5.351 30 50 IKEA biogenic C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 257424100 GESZMTVZGWZBPW-BYQVUASFSA-N 442.728 7.306 30 50 IKEA biogenic COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCc2cccc(Cl)c2)c1 627331 XFRREFHWGGKXDH-HSZRJFAPSA-N 437.923 5.060 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 709963 HJCKFKPMUDVFJX-IQGLISFBSA-N 434.461 6.685 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC 883252 NOHJYOJEXDRYDO-DNOBIOAJSA-N 442.515 5.389 30 50 IKEA C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 986180 PXSCLSQDJPNZKS-SFHVURJKSA-N 426.607 5.521 30 50 IKEA CCOC(=O)c1c(NC2=CC(=O)C[C@@H](c3ccc(OC)cc3)C2)sc2c1CCCC2 1444535 PEKCAGZINQHBCG-INIZCTEOSA-N 425.550 5.255 30 50 IKEA N#Cc1c(SCc2ccc([N+](=O)[O-])cc2)nsc1SCc1ccc([N+](=O)[O-])cc1 2314005 MORIEZVIIBHGJZ-UHFFFAOYSA-N 444.519 5.416 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 12648741 YLNFDTSZCDVHIG-WGDIFIGCSA-N 446.934 6.244 30 50 IKEA CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 662411 GDAYKPCAGLNMJO-MHZLTWQESA-N 437.543 5.569 30 50 IKEA O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 252495390 OPMLANDLXCWTHI-CIAFOILYSA-N 434.835 5.172 30 50 IKEA C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1 2860935 SFJMUWIIYMIKSK-UHFFFAOYSA-N 444.329 6.071 30 50 IKEA CCCCCCCC/C=C/CCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC 102314618 UJXAEQUPRRGRMR-FOCLMDBBSA-N 438.693 7.937 30 50 IKEA O=C(Oc1c2c3c(noc3c3ccccc13)C(Oc1ccccc1)=CC2=O)c1ccccc1 652138 FZSCSCSGLCMGDI-UHFFFAOYSA-N 433.419 5.816 30 50 IKEA O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 15635744 JAGVPBGFOWXWKA-QOCHGBHMSA-N 441.241 5.130 30 50 IKEA Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 15769695 HJWJEHRGWLNEIU-DKUDOZJNSA-N 440.455 5.086 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 717195 FOXLSVCGCITMAQ-XOBRGWDASA-N 447.478 5.302 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 1204589 OFFYFBDLLLMXKK-KSFYIVLOSA-N 425.887 5.014 30 50 IKEA COc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013761 ZYXZJJXBBBQEEO-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 13568681 YSNMAQAFVVBILW-WXTAPIANSA-N 430.573 6.515 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc12 18285127 XTDJTDQSFSJBQM-HHHXNRCGSA-N 441.575 6.357 30 50 IKEA CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC 111906425 NSZKIDSVINDASL-UHFFFAOYSA-N 432.645 7.892 30 50 IKEA CCCCCCCC(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl 3147791 SJZMFSKESUOBNN-OAHLLOKOSA-N 445.612 6.001 30 50 IKEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 18127433 YAMQNFIPIVPJBW-QFIPXVFZSA-N 435.955 5.286 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 27547486 IBUCDDIHJKAJBX-NRFANRHFSA-N 444.428 5.451 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1 681735 MNMDEHXZKFJNTK-CRICUBBOSA-N 443.459 5.108 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)Nc1ccccc1-2 2874008 KHIMYIYBAKULBV-QGZVFWFLSA-N 427.327 5.082 30 50 IKEA N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc(Br)cc2)n1 3356973 WQHGUSKWVGQIGG-UHFFFAOYSA-N 429.705 5.132 30 50 IKEA COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccccc2)c(Cl)c1 4546933 RZWAHTGGSSNXIY-CLJLJLNGSA-N 439.942 7.166 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 22135376 CQFWDBFXSUJVMU-LJQANCHMSA-N 425.271 5.171 30 50 IKEA C=C(C)COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1OC 253413299 UKNJDJJFBFCGIA-HXUWFJFHSA-N 444.483 5.028 30 50 IKEA biogenic C=CCNC(=O)[C@H]1C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 1775975028 BFIGATMIZVPDFM-RPWUZVMVSA-N 429.564 5.370 30 50 IKEA CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OCC)c1OCC 655518 ICSJIABNFIJZDY-AWEZNQCLSA-N 428.554 5.193 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Cl)cc1 1118007 MWNJVILOCMXLBA-UHFFFAOYSA-N 430.986 5.237 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 19762661 PZLCEOCVSXGAHN-HSZRJFAPSA-N 437.923 5.060 30 50 IKEA N#Cc1ccccc1CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 2843379 TVZLMUZQBCYMND-UHFFFAOYSA-N 431.542 5.478 30 50 IKEA CCCCCCCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 2901009 YZVSKPTVTFPSMJ-UHFFFAOYSA-N 431.399 6.385 30 50 IKEA COc1ccc(/C=N/OC(=O)COc2ccc(Cl)cc2)cc1COc1ccc(F)cc1 2902216 NUDYPZHFKSSXCQ-LGJNPRDNSA-N 443.858 5.023 30 50 IKEA N#Cc1ccc(-c2ccc(OC[C@@H](O)CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1 2947270 JBUASTNFAZMYPG-LJAQVGFWSA-N 448.566 5.667 30 50 IKEA C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 9472366 KHYOPUZNBHHDRP-HSZRJFAPSA-N 447.462 5.070 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC 9559912 HRGKDTWDANVPNH-LSDHHAIUSA-N 446.330 5.015 30 50 IKEA CCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O 59696285 SAIMYQVCHHQQMU-UHFFFAOYSA-N 447.726 6.812 30 50 IKEA in-vitro CCc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 1430889 JIHNHILMTGHDLC-IBGZPJMESA-N 430.573 5.589 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19830815 JHTBJUSVJWSFGY-NLFFAJNJSA-N 433.523 5.387 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4c(F)cccc4Cl)c3c2C1 19924557 PFEWZTWVQXTLCZ-OZHCYYCFSA-N 430.980 6.471 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC 709638 YSPATPBMNCXEOI-QYBDOPJKSA-N 427.504 5.078 30 50 IKEA O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cc(=O)c3ccccc3o1)Nc1ccccc1N2 711583 KBXAJVANAVAWLX-PVPMGCCUSA-N 440.524 5.834 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc2c(cc1Br)OCO2 756486 LBXRTSABDOEHLK-NRFANRHFSA-N 441.325 5.400 30 50 IKEA Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)sc1C 1052642 WJIPRCZVZIFPFJ-HXUWFJFHSA-N 430.485 5.289 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 5397097 HKLRGZCPIUHXOU-VWLOTQADSA-N 445.559 5.351 30 50 IKEA C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@@H]2CCCCO2)C1 12327399 CEPHYRMQGZVQQA-NRFANRHFSA-N 441.593 5.359 30 50 IKEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 16156183 POQHQOCAQWRJPI-RQZCQDPDSA-N 449.757 5.180 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F 16731472 IVDPNZJDFYAFMR-XMMPIXPASA-N 444.506 5.431 30 50 IKEA Cc1cc(Cl)ccc1/N=C/N(C)SN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1 71770457 TVROFFSRAAJUHB-CIAFOILYSA-N 446.425 5.556 30 50 IKEA CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O 673085 PNXJNSIYRDXNJQ-MRDQGFSESA-N 432.564 6.027 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 8036049 ICDMLAQPOAVWNH-HAAQQRBASA-N 431.661 6.449 30 50 IKEA in-vitro Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1ccc(C#CC(C)(C)O)cc1 12205344 RVSHLBILZCVJDH-DEOSSOPVSA-N 427.592 5.106 30 50 IKEA CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 12381905 QMJDXUNAWVEDGN-SIBVEZHUSA-N 426.516 5.836 30 50 IKEA CC/C(=N\c1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCc2ccccc2C1 1857798748 AAYYNRCULAGXRI-XLVZBRSZSA-N 437.612 7.284 30 50 IKEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 781131 COCBLBSQRYDPIB-MYUZEXMDSA-N 426.516 5.683 30 50 IKEA COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(F)c1F 2879932 LLOYOXZLGXCDFB-SECBINFHSA-N 440.462 5.588 30 50 IKEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 18180931 BNIZRPPVKJKMQP-VWLOTQADSA-N 448.563 5.503 30 50 IKEA O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(Cl)c(Cl)c1 100457306 YRLPMOBYRKLMQQ-WYMPLXKRSA-N 431.344 6.180 30 50 IKEA COc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013762 ZYXZJJXBBBQEEO-HSZRJFAPSA-N 434.511 5.077 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S 12343688 HHBYSUIXVDXTBR-WOJGMQOQSA-N 436.385 5.960 30 50 IKEA C/C(=N\Nc1nc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Br)cc1 16663411 ZELMPEWMZRNOGZ-JVWAILMASA-N 431.337 6.204 30 50 IKEA C=CCN1C(=O)C(c2c(C)[nH]c3ccccc23)(c2c(C)[nH]c3ccccc23)c2ccccc21 8398332 BVWDWWSPNHIOOC-UHFFFAOYSA-N 431.539 6.133 30 50 IKEA CCc1c(C)sc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C#N 9130396 FHPOTEJYQQSYNE-GDBMZVCRSA-N 449.458 5.193 30 50 IKEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)c1 9357446 BERAVWHCSNSSSR-PCLIKHOPSA-N 430.533 5.468 30 50 IKEA CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1O 9560078 YDFSVUSOZNKRKV-UKRRQHHQSA-N 446.330 5.102 30 50 IKEA C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O 14711612 YLTPWCZXKJSORQ-GYCJOSAFSA-N 438.520 5.610 30 50 IKEA biogenic,in-vivo COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 19848356 BDXYIDKTYMVVNB-QFIPXVFZSA-N 437.496 5.148 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 36370848 BKOGUJNRCSWUNA-IOXAISTQSA-N 446.653 5.473 30 50 IKEA CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C 204124783 FXHGBACNYDFALU-UHFFFAOYSA-N 435.336 5.172 30 50 IKEA CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253505578 GGQIDQJAIYDGEX-XANUVNBQSA-N 427.585 5.436 30 50 IKEA biogenic C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 826960 HWZBZCMMNSVFEZ-UHFFFAOYSA-N 430.982 5.151 30 50 IKEA CCCCCCCCCC[C@H](C(=O)OC(C)C)[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 100657916 VFHFSRKPNDEJAW-HSZRJFAPSA-N 445.495 7.421 30 50 IKEA O=[S@@](c1ccc(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1)C(F)(F)F 1776003322 JERIMQVZKCFJCS-HJWYETAXSA-N 425.369 5.408 30 50 IKEA O=C1CCCC2=C1[C@H](c1ccccc1)c1c(O)nc(SCc3ccccc3Cl)nc1N2 1129493 ZZLWRRCVJBKGIH-IBGZPJMESA-N 449.963 5.692 30 50 IKEA CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O 2062884 LRUYIRWSJUGJCW-UHFFFAOYSA-N 435.564 6.402 30 50 IKEA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 2868527 AHKWGLVSLPVSDA-VWLOTQADSA-N 437.580 5.708 30 50 IKEA N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(F)c1 2884718 SFGBQUPPCWFPCN-UHFFFAOYSA-N 428.250 5.509 30 50 IKEA CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1O 9560079 YDFSVUSOZNKRKV-ZFWWWQNUSA-N 446.330 5.102 30 50 IKEA CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 252627206 ROUYAPDUUUROKS-FAOJBXBBSA-N 448.500 5.211 30 50 IKEA CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525135 RSYAEGYTIQGKTB-MLFAPQLCSA-N 428.701 8.248 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc2c(cc1Br)OCO2 756485 LBXRTSABDOEHLK-OAQYLSRUSA-N 441.325 5.400 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(F)cc1 993759 LMMGMZUBXLIXJQ-SANMLTNESA-N 440.518 6.283 30 50 IKEA C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 2544701 UFCKIACKAZXZJH-UHFFFAOYSA-N 436.581 5.168 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(F)cc1 16382165 IRWKEKYNLOFOKN-FQEVSTJZSA-N 427.306 6.278 30 50 IKEA COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21722358 NUGJZDQWIIMPQF-DEOSSOPVSA-N 445.544 5.969 30 50 IKEA CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br 710621 DREGCMXRRNUOIK-RBZFPXEDSA-N 446.385 5.395 30 50 IKEA COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(Br)cc1 8431159 ZXOVSPPEKNYKJJ-HDURRZNMSA-N 439.353 5.274 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 8914674 IMYBGGKDASVCGA-FQEVSTJZSA-N 447.560 5.235 30 50 IKEA Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 16739194 LFPHMBOIEXIZCV-FPEJUQHSSA-N 429.545 5.468 30 50 IKEA CC(C)(C)c1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O 19773327 DMOZLAGCWRPREW-OGLMXYFKSA-N 442.047 5.792 30 50 IKEA Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 681727 MWVFFRFOJIOESC-AFMDSPMNSA-N 425.488 5.883 30 50 IKEA N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 8451001 SSOLHIWTHLMYQB-UHFFFAOYSA-N 436.587 5.225 30 50 IKEA CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 13568680 YSNMAQAFVVBILW-DWXRJYCRSA-N 430.573 6.515 30 50 IKEA Cc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccc(Br)cc3)n2)cc1 16513027 MGJMVMJSEKKDSH-WGOQTCKBSA-N 443.348 6.328 30 50 IKEA CCOc1ccc(-c2csc(N(/N=C(\C)c3ccc(Cl)cc3)c3ccccc3)n2)cc1 25560159 DIYZPLSQUULRPE-MTDXEUNCSA-N 447.991 7.425 30 50 IKEA O=C1C(Cl)=C(Nc2cccc([N+](=O)[O-])c2)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 100435897 ROGGGZHKCKKMMT-UHFFFAOYSA-N 438.481 6.424 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 720525 GFHWUBIEAVZQDB-SGANQWHYSA-N 432.545 5.745 30 50 IKEA CCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2313158 PSNXDSMYOAPOQM-UHFFFAOYSA-N 440.381 7.182 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccco2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 2844403 YVXMMMIGPJJACV-WXTAPIANSA-N 449.522 5.656 30 50 IKEA O=C1/C(=C/c2cccc(Br)c2)CCC/C1=C\c1cccc(Br)c1 4547095 AHJCUJSTWXHHHI-OTYYAQKOSA-N 432.155 6.432 30 50 IKEA CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 9007669 GHSDRJJBTNDFKZ-QHCPKHFHSA-N 446.934 5.637 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)cc2)cc1 19855368 JZVUAWGNWBCWQD-CLOONOSVSA-N 449.522 5.148 30 50 IKEA CCOc1ccc(/C(C)=N/Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)cc1 25559714 DAYFHCCTDUYHQJ-CTOFZRSPSA-N 436.625 6.467 30 50 IKEA CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)s1 883352 PZWAYNKZLXUSCB-WGDIFIGCSA-N 430.573 6.299 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1467861 KGWJKHNQEUXZHS-QYBDOPJKSA-N 441.487 5.583 30 50 IKEA CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)cc1 2739311 CLPDLIRHZNCABD-NHCUHLMSSA-N 434.992 6.881 30 50 IKEA N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)Cc1ccccc1)c1ccccc1 2835341 GOBAGKHUPWIVNQ-NDEPHWFRSA-N 432.523 6.106 30 50 IKEA CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 13568552 VNLHLXBIHDGYKZ-QYBDOPJKSA-N 430.573 6.515 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cc(C)sc2C)C2=C(CC(C)(C)CC2=O)N1 18158895 MTCXQSFIPHYFDJ-JOCHJYFZSA-N 435.593 5.311 30 50 IKEA CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 2199713 VBQVKXRTWMFEIQ-NRFANRHFSA-N 443.981 5.481 30 50 IKEA CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 2291658 VEILOHJORFMSSY-XMMPIXPASA-N 432.907 6.711 30 50 IKEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S 2965978 SDJHHVOKJHTZSI-WOJGMQOQSA-N 449.956 5.454 30 50 IKEA CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(Br)c2)=C(O)C1 4391233 KOSHQQPAOMKJDC-UHFFFAOYSA-N 447.369 5.935 30 50 IKEA C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 5158349 FELCJAPFJOPHSD-ROUWMTJPSA-N 440.712 7.204 30 50 IKEA biogenic,in-vitro COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cccc(C#N)c3)n2)cc1 170623832 GYMVKXGQVGVMKK-UHFFFAOYSA-N 425.435 5.812 30 50 IKEA CC1(C)C[C@H](n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 2060633 XHTPKSASFCGETM-LJQANCHMSA-N 449.620 5.414 30 50 IKEA COc1ccccc1C(=O)Oc1ccc(Br)cc1C(=O)/C=C/c1cccs1 9379898 HCSKTCACTQXBIU-MDZDMXLPSA-N 443.318 5.635 30 50 IKEA CCc1c(C)sc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)c1C#N 995660 WPTJWOGAVGZBRN-UHFFFAOYSA-N 427.529 5.967 30 50 IKEA COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC 720132 SUQRXGNRUNKAAR-IZHWHUGBSA-N 432.545 5.745 30 50 IKEA Cc1cc(C)n(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)n1 2056332 IAEVDUHNCMPABM-UHFFFAOYSA-N 436.587 5.656 30 50 IKEA CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 8779957 JKHGYJATRXVMIK-RUZDIDTESA-N 444.575 5.636 30 50 IKEA Oc1ccccc1-c1cc(-c2ccccc2)nc(N/N=C/c2c(O)ccc3ccccc23)n1 13305358 QLWCNNXOOXKHMZ-OGLMXYFKSA-N 432.483 5.821 30 50 IKEA CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 13571036 QEHNNDUUHHJSQI-HXUWFJFHSA-N 430.485 5.235 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(Cl)cc1 17145570 LBSGRTAVMWOUBO-FQEVSTJZSA-N 448.872 6.045 30 50 IKEA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@H]3CC[C@@]21C 257350122 UXGWFWJQNSRBBQ-QQABTQGOSA-N 426.685 7.895 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1 681733 MNMDEHXZKFJNTK-SSOJOUAXSA-N 443.459 5.108 30 50 IKEA CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 32790548 IPOLTUVFXFHAHI-WHIOSMTNSA-O 426.662 6.117 30 50 IKEA in-man C#CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 2346523 DGHWQVMVQRZCGN-UHFFFAOYSA-N 432.633 5.974 30 50 IKEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1 217800283 REPYETNVMPJALL-XYUXXQEKSA-N 440.495 5.876 30 50 IKEA biogenic O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 1118593 FCZJQKYLOUNOCD-LJQANCHMSA-N 428.271 5.365 30 50 IKEA CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 1219215 FRBKOIJENMRIFX-JOCHJYFZSA-N 432.907 5.189 30 50 IKEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 2069366 CDOAWUQVYHTJJX-JOCHJYFZSA-N 427.972 5.820 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 709777 KKFOCULDYZFJPV-MYUZEXMDSA-N 434.495 5.773 30 50 IKEA CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 808700 RYGONUJZKYOZNN-NGOKVRLYSA-N 440.543 6.073 30 50 IKEA CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 1840597 UCTZFVOFMWJZOB-CQSZACIVSA-N 427.526 5.330 30 50 IKEA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@]12C 257350704 ZJFYDPFCQFKJHC-KPZHCCQSSA-N 430.677 7.740 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 257355594 BMEDGGDZYCTQMO-UPZNCPJBSA-N 442.621 5.601 30 50 IKEA CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 716594 RUAJHOHNJOQXRY-UHFFFAOYSA-N 444.955 5.845 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 1202506 JEBIZTUAMZAJHH-QFQXNSOFSA-N 427.544 5.534 30 50 IKEA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I 6827731 BULLJMKUVKYZDJ-UHFFFAOYSA-N 445.944 5.118 30 50 IKEA in-vitro CCc1c(C)sc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C#N 9130395 FHPOTEJYQQSYNE-GOEBONIOSA-N 449.458 5.193 30 50 IKEA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 1848444122 NGYUKGNHUKYVIX-HSZRJFAPSA-N 434.967 5.891 30 50 IKEA C[C@H](CNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N)N1CCCC1 1857799924 NVFCMYRFSTYARS-QGZVFWFLSA-N 436.943 5.342 30 50 IKEA CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 2775343 ZFAYHMDKIHHFJC-MHECFPHRSA-N 435.951 5.655 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 8914173 GYKFWZDWSXIVOD-LJQANCHMSA-N 443.286 5.068 30 50 IKEA O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 9370626 RVFGCCQXPBNYMV-NRFANRHFSA-N 448.316 5.228 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19830813 JHTBJUSVJWSFGY-CPJSRVTESA-N 433.523 5.387 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1 997340 NZUPJUOBQUUWIH-XMMPIXPASA-N 446.934 6.390 30 50 IKEA O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl 1079884 UIMLJUMZFLLHIF-CYBMUJFWSA-N 436.758 5.692 30 50 IKEA CN(C)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccc4ccccc4c32)cc1 1421740 CKRGZYBCQPGMIS-NFQMXDRXSA-N 434.539 6.457 30 50 IKEA C(#Cc1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12)c1ccccc1 2539437 OUHYGBCAEPBUNA-UHFFFAOYSA-N 428.534 7.946 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)cc1 17043877 XXOXHKPAFDFNLX-PZGXJGMVSA-N 436.555 6.306 30 50 IKEA N#Cc1c(-c2ccccc2)cc(C(F)(F)F)nc1SCn1cc(Br)cn1 17103033 JXRHJALAOHEHFZ-UHFFFAOYSA-N 439.260 5.348 30 50 IKEA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C#N)C1 239174493 QDCGXDOIVZLMAF-BPQIPLTHSA-N 428.598 5.547 30 50 IKEA C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 253598148 MQYXUWHLBZFQQO-ZGVRAMQJSA-N 426.729 8.025 30 50 IKEA N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCCc1cccs1 1775965050 SJEIMCPSWKZVQZ-UHFFFAOYSA-N 425.897 5.755 30 50 IKEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(CSC)c3)n2)cc1OC 2325740187 ZSPOJXLCWFOEMJ-INIZCTEOSA-N 442.537 5.319 30 50 IKEA CCN(CC)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 6720507 VSICIECRBYHMGG-HHHXNRCGSA-N 425.576 6.391 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 8413054 SUPVQWYACMXLIM-QFIPXVFZSA-N 443.572 5.539 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 8996553 GQNKIKRBGGKUKO-JOCHJYFZSA-N 430.504 5.059 30 50 IKEA C=CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1 16115955 KDKUDKHEJXMNLI-JCMHNJIXSA-N 430.435 5.235 30 50 IKEA CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253500190 YSSYRCSUIQKJPD-WUGLEMOFSA-N 444.700 7.651 30 50 IKEA biogenic CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 688809 RBSIDMDQXNRZGZ-QHCPKHFHSA-N 442.481 6.258 30 50 IKEA N#Cc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Cl)cc1 759350 BKORDFSRCDPVPG-UHFFFAOYSA-N 441.800 5.192 30 50 IKEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1199635 OORWVNVDYBEJOM-LJQANCHMSA-N 425.271 5.171 30 50 IKEA CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 1421898 LJJSPCAEEZFQQU-HNNXBMFYSA-N 445.585 5.341 30 50 IKEA Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 2865470 WTTUQZJIHKVTAA-FQEVSTJZSA-N 443.761 6.792 30 50 IKEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S[C@H](CCC1CC1)c1ccccc1 6457440 CVDRPHRLIKSYGK-HSZRJFAPSA-N 438.518 7.663 30 50 IKEA O=C1SC(SCc2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)s1 6997003 ARMSUFPHTTUFLW-GHXNOFRVSA-N 430.801 6.068 30 50 IKEA O=S(=O)(O)CCCN1C(=CC=Nc2ccccc2)Oc2ccc(-c3ccccc3)cc21 1857524764 JNVLGWGAWCKESX-UHFFFAOYSA-N 434.517 5.074 30 50 IKEA C#CCCC1(CCSc2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)N=N1 2325899406 CDTTXGRLTANISK-UHFFFAOYSA-N 448.595 7.264 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781298 CYRJXPPPAOQGQD-UZUQRXQVSA-N 439.552 5.448 30 50 IKEA CCN(CC)c1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cc1 8434937 ZAYXDIXLKPIDON-UHFFFAOYSA-N 439.596 6.019 30 50 IKEA C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1Cl 16247900 GFRHSMQNJXCAJM-BJUXRVGASA-N 434.348 5.140 30 50 IKEA CCN(CC)c1ccc(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 20608381 ZSKKKOYTDVEDHU-FSJBWODESA-N 449.411 5.696 30 50 IKEA CCCCCCCCCCCCCC[N+](C)(C)CCOCCOC(=O)Nc1ccccc1 59042388 BXMZAXOXEIYMED-UHFFFAOYSA-O 449.700 7.029 30 50 IKEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257358209 SDPXLBMMNBJQCT-YDWIZNKBSA-N 449.635 5.201 30 50 IKEA CC(C)Oc1ccccc1[C@@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1 684836 NIKVNJYTYCJLII-DEOSSOPVSA-N 428.557 5.287 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@@H]32)cc1 25541260 VBLKGSKRRMCRKY-GVURRWLTSA-N 444.637 5.681 30 50 IKEA CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 9861330 DVWAKHSJMLPFLW-HHHXNRCGSA-N 437.543 5.573 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 19646923 JSUGGEPXMUWXJH-RNODOKPDSA-N 448.371 5.590 30 50 IKEA C=CCOc1ccccc1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 55042479 JTYCFGZJWAEJBI-UHFFFAOYSA-N 444.556 5.628 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1 630713 LYLCHAAMYDNCQX-PIIWDFAUSA-N 439.559 5.741 30 50 IKEA C=C(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CC[C@H](C)C3 985907 KVVDLBFCGSPPLS-AWEZNQCLSA-N 440.590 5.180 30 50 IKEA CCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 9861204 VMSZIZZFUSRMGY-DEOSSOPVSA-N 445.563 5.031 30 50 IKEA C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@@H]2CC[N@+]1(Cc1ccccc1)C[C@@H]2C=C 253589893 YHNOHNGXUABVNJ-KUNUQYKVSA-N 425.596 6.090 30 50 IKEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1070616 VPXIKURZVDVKSA-ZHRRBRCNSA-N 441.980 5.715 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9008884 VJTJLCNHVVRRIN-DEOSSOPVSA-N 429.476 6.077 30 50 IKEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc(OC)cc2)C1=O 19925488 HSHLYGHTOOIUME-QNGOZBTKSA-N 431.513 5.392 30 50 IKEA CCCCOc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 32691016 BCIJXTKQEOCHPZ-ANYBSYGZSA-N 436.559 6.460 30 50 IKEA CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC 100989499 DSAJRCNSPOSHPL-UHFFFAOYSA-N 434.727 8.106 30 50 IKEA COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccsc2)cc1 781161 PVQUMWOXIGBNQT-JOCHJYFZSA-N 437.561 5.104 30 50 IKEA COc1cccc([C@@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 893673 IQINLGKEWVTTPJ-QYBDOPJKSA-N 430.935 6.328 30 50 IKEA C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O 979896 NFVZSOFQOSJYBQ-XDHOZWIPSA-N 445.899 5.126 30 50 IKEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 2462439 XEXSXBVLADCZJZ-IBVKSMDESA-N 443.543 5.240 30 50 IKEA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 4794448 QODACFIISUFECI-IBGZPJMESA-N 427.928 5.566 30 50 IKEA CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 8846663 NVTWIXACOHQGCP-SOKVYYICSA-N 444.962 6.718 30 50 IKEA CCCCCCCCCCN(CCCCCCCCCC)Cc1ccc([N+](=O)[O-])cc1 101013658 VTAVLLIKRLVLSP-UHFFFAOYSA-N 432.693 8.678 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1 856556 LZWMCIHUFKFIJD-WINIVTDRSA-N 442.584 6.397 30 50 IKEA CC(=O)Nc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1135006 KWZFNXJXMQGOAQ-LYZGTLIUSA-N 437.543 5.933 30 50 IKEA C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3cccc(C)c3C)cc2)SC1=S 2873990 CZNBATQQVODPSD-CJLVFECKSA-N 439.602 5.539 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 4082564 ZVNIIVXBILHVGW-CPJLOUKISA-N 435.354 6.973 30 50 IKEA CCCCCCCCCCOc1ccc(C(=O)O)c(OCCCCCCCCCC)c1 100858168 XUHJGGKACJUOQR-UHFFFAOYSA-N 434.661 8.424 30 50 IKEA CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 4065492 FEAIPHNAYUBJNB-ONOMSOESSA-N 438.571 6.845 30 50 IKEA Cc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2Cc2ccccc2)cc1C 16286137 MEPSJATUVICICD-UHFFFAOYSA-N 440.572 5.686 30 50 IKEA Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)c1 20344506 DWZZWGJNDLWQJA-UHFFFAOYSA-N 439.485 5.352 30 50 IKEA CCCCCCCCCCCCNC(=O)CC(=O)NCCCCCCCCCCCC 96022905 WXJWELMRIUKHGH-UHFFFAOYSA-N 438.741 7.451 30 50 IKEA CCCCCCCCCCCC1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 100723328 QVDQYWSCHHFLLV-UHFFFAOYSA-N 427.673 7.413 30 50 IKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)COC(=O)c1ccccc1 1772491980 RSZHYTMCURJIHZ-WUIGYTNCSA-N 434.576 5.561 30 50 IKEA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 666754 PPJAPMPUIWUORI-CPJSRVTESA-N 449.978 5.901 30 50 IKEA O=C1CCCC2=C1C(c1ccc(OCc3cccc4ccccc34)cc1)C1=C(CCCC1=O)N2 1156771 KCZNNUASQFIQHW-UHFFFAOYSA-N 449.550 6.120 30 50 IKEA C#CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 2060634 YMKUACBKVJMHGY-FQEVSTJZSA-N 448.632 5.524 30 50 IKEA biogenic CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC 6921181 JTXUVYOABGUBMX-UHFFFAOYSA-N 434.642 8.962 30 50 IKEA COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(Br)cc1 8431162 ZXOVSPPEKNYKJJ-KDDHIZETSA-N 439.353 5.274 30 50 IKEA CCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 16310186 ITQLCZJVFBUMOY-YUMHPJSZSA-N 428.467 5.500 30 50 IKEA CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 17028201 OLWBKSRHNUZJJA-AREMUKBSSA-N 446.547 5.604 30 50 IKEA O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 4118322 RZVWOBYKWHSBLJ-LZWSPWQCSA-N 433.312 5.657 30 50 IKEA O=C1Nc2ccccc2/C1=N/c1ccc(-c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1 17723987 CRYBAWINATWOBV-UHFFFAOYSA-N 442.478 5.499 30 50 IKEA CCCCCCCCCC[C@H](C(=O)OCCCCCCCC)[N+](C)(C)Cc1ccccc1 100657835 YAOFSWKXOGLWQK-MUUNZHRXSA-N 446.740 8.066 30 50 IKEA Cc1noc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc4ccccc4c3)cc2)c1C 103512788 CHALKWXORWLTJY-YPKPFQOOSA-N 447.516 5.054 30 50 IKEA Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 861011 CCILKLKMVFVRRU-JOCHJYFZSA-N 425.916 6.087 30 50 IKEA N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 2845569 TZNXAJOEWBXSEY-UHFFFAOYSA-N 444.922 5.553 30 50 IKEA CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 4074964 NSTOXWAGNZTKNY-NIYFSFCBSA-N 427.479 5.141 30 50 IKEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 4082012 GUPPYNAVRNACFU-GKVSMKOHSA-N 435.354 6.973 30 50 IKEA C=CCCC(=O)N(Cc1ccco1)Cc1cc2ccc(OC)cc2nc1N1CCCCCC1 14991775 UBLSMBRHCNOZKB-UHFFFAOYSA-N 447.579 5.712 30 50 IKEA CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl 18322539 QLJYLEUKPIZAFW-VWLOTQADSA-N 436.983 6.673 30 50 IKEA CC1(C)OB(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)OC1(C)C 201905175 HZMCBFYBIMINFR-UHFFFAOYSA-N 430.356 7.112 30 50 IKEA in-vitro C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 755585 ASKWCVANZBJACO-DENIHFKCSA-N 443.410 6.037 30 50 IKEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2 2978114 HEQHHRVJMDBPHM-OAQYLSRUSA-N 448.935 6.233 30 50 IKEA CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(Br)cc2)nc2c1CCCC2 3879152 IOOZBAXCVOLDKH-UHFFFAOYSA-N 443.410 5.768 30 50 IKEA C=CCn1c(COc2ccc(C)cc2C)nnc1SCc1csc(-c2ccccc2)n1 19648054 FGBRHWWUCDLYOY-UHFFFAOYSA-N 448.617 6.076 30 50 IKEA CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)nc21 169976517 VUUAOMHTOPOYDB-UHFFFAOYSA-N 434.893 6.013 30 50 IKEA CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2/C=N/c1ccccc1/N=C/[C@@H]1[C@H](O)[C@H]2CC[C@@]1(C)C2(C)C 828611176 PUXWGFKLGBSUCF-JAOYJPGLSA-N 436.640 5.958 30 50 IKEA CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 607797 ZXQYGBMAQZUVMI-KJLJINFSSA-N 449.856 6.544 30 50 IKEA in-man COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2Cl)o1 629404 PEGPZEMWPWLVTF-JOCHJYFZSA-N 425.912 5.377 30 50 IKEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 2978062 ZKKNTWLVCALTMT-QHCPKHFHSA-N 447.608 5.946 30 50 IKEA CCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 8915554 IYWMJZGJVOBLCB-SILNSSARSA-N 429.472 5.667 30 50 IKEA Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 21722282 JSJJKZFMYQJYKV-RUZDIDTESA-N 427.504 6.109 30 50 IKEA C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 100685927 GTMJEAVXRNJUAA-NQIIRXRSSA-N 429.383 5.193 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(SC)cc1 100853202 FXWPOPNYLDEGAO-UHFFFAOYSA-N 434.734 8.792 30 50 IKEA CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 252594364 BRYNBLNOQPNQEA-DMEHKQLVSA-N 436.508 5.726 30 50 IKEA CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccn4)c(Cl)c3)c2cc1N 261506883 BZMGKGQKSUYHAP-UHFFFAOYSA-N 431.883 5.672 30 50 IKEA O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2 672597 JKOMNYJZWAZQKC-IQGLISFBSA-N 445.360 6.429 30 50 IKEA CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 1459244 AWCFAQPUAJPTMI-UZTOHYMASA-N 427.523 5.871 30 50 IKEA COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8809724 KZPWBARPQOSHNM-SGNDLWITSA-N 437.524 5.041 30 50 IKEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](C(=O)/C=C/c4ccccc4)CC[C@H]32)C1 257349963 SWTNFHMWIPZFLE-SNTQMXGVSA-N 448.647 6.860 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 257355591 BMEDGGDZYCTQMO-BKIUCWPRSA-N 442.621 5.601 30 50 IKEA CCCCCCCCCCCCCC[C@@H](OCCCCCCCCCCCC)[C@H]1CO1 1525673765 SLXJGQQISNMEOA-FQLXRVMXSA-N 438.781 9.783 30 50 IKEA N#Cc1ccc2c(c1)CCC[C@@H]2C(=O)OCc1coc(-c2ccccc2C(F)(F)F)n1 1875343317 XAEYZDGWYHIFHM-SFHVURJKSA-N 426.394 5.395 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O[C@@H](C)CC 671965 BELHMXOTTYPSEN-XRHLQHRESA-N 446.591 6.417 30 50 IKEA CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 1010072 DXFSOTSALOYCFM-OAQYLSRUSA-N 449.963 5.556 30 50 IKEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 1160535 VLSNUPWPFQCMSZ-UHFFFAOYSA-N 431.502 5.505 30 50 IKEA CC1(C)CC(=O)C=C(NCCCN(C(=O)Nc2ccc(Cl)cc2)C2CCCCC2)C1 4679026 UQLNAUAWXHYCHO-UHFFFAOYSA-N 432.008 5.759 30 50 IKEA COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013763 PONHLWOSHSALCG-QHCPKHFHSA-N 434.511 5.077 30 50 IKEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc(C)sc2C)C2=C(CC(C)(C)CC2=O)N1 18084439 MTCXQSFIPHYFDJ-QFIPXVFZSA-N 435.593 5.311 30 50 IKEA C=C1C[C@@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4/C[C@@H](O)C[C@H](O)C4=C)CCC[C@@]32C)OC1=O 34012091 SAODSJHDCZTVAT-JXJLEVNFSA-N 426.597 5.025 30 50 IKEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 239235625 WJDXEUVLCKVSDU-UHFFFAOYSA-N 442.588 5.993 30 50 IKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]12C 253502142 LCHQKKCWNVVBHJ-DPDKLNFFSA-N 441.656 5.552 30 50 IKEA CN(C)C(=O)Oc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 1004226 KKWOYVBXBGCBGL-UHFFFAOYSA-N 437.536 5.147 30 50 IKEA CCc1c(C)sc(NC(=O)c2cc(-c3ccncc3)nc3c(C)c(C)ccc23)c1C#N 1068315 BDFQKDUIMPIAOK-UHFFFAOYSA-N 426.545 5.970 30 50 IKEA CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4045651 RBAMBOLZZZFSQB-UHFFFAOYSA-N 446.532 5.557 30 50 IKEA C=CCn1c(CN(C)Cc2cccc(-c3ccccc3C)c2)nnc1SC[C@H]1CCCO1 14994195 MNOYHYIPFMHJQF-HSZRJFAPSA-N 448.636 5.343 30 50 IKEA CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/c4ccc(Cl)cc4Cl)c3c2C1 25559717 LFXXQLWGGFPIDY-BTYNUJMBSA-N 447.435 6.985 30 50 IKEA CN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 25761160 WGSNOXYOCARBGX-MKFXEVHTSA-N 427.158 6.282 30 50 IKEA C=C[C@@]1(C)C[C@H](S(=O)(=O)c2ccccc2)O[C@@H]([C@@]2(C)C3=C(CCC3=O)CC[C@@H]2C)C1 71786333 CQXWQXWSQQSTQB-LQNAPZDISA-N 428.594 5.253 30 50 IKEA CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C)ccc1OC 100856168 FKANRVNRUGJXQB-UHFFFAOYSA-N 432.693 8.387 30 50 IKEA CC(=O)N1CC2=Nc3cccc4c3c(cn4CCC(C)C)[C@@H](c3ccc(C#N)cc3)C2=C1O 888090050 YCYPCNLSILPSMN-XMMPIXPASA-N 438.531 5.409 30 50 IKEA COc1ccccc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2 1430774 OVFUNMHMPDLFNT-KRWDZBQOSA-N 432.545 5.035 30 50 IKEA O=C(/C=C/Nc1ccc(Oc2ccc(N/C=C/C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 2875023 WCMMLZJYHFELTI-WGDLNXRISA-N 444.331 5.593 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])o2)cc1 9089758 VRGBYQUSAQYZMH-MYYSRTQBSA-N 431.448 5.176 30 50 IKEA CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 13568542 XNPQQCZYFCCLKP-QLXKLKPCSA-N 430.573 6.515 30 50 IKEA Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 257346688 KNJVWAVLNHNHKV-RGUSOMRDSA-N 430.654 6.502 30 50 IKEA O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1875316513 WEYFSFRAVAKRDT-UHFFFAOYSA-N 445.338 5.022 30 50 IKEA CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4083606 DOMWKUIIPQCAJU-LJHIYBGHSA-N 428.613 5.970 30 50 IKEA biogenic,fda Cc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n23)cc1Cl 5297428 MRDVMWVXRDOSFS-UHFFFAOYSA-N 436.946 6.964 30 50 IKEA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)s2)C2=C(CC(C)(C)CC2=O)N1 8439316 VSMDTURROHSZGZ-XMMPIXPASA-N 435.589 5.446 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1 19635426 GJXNZLWSOVVDNT-OYHNWAKOSA-N 442.342 5.528 30 50 IKEA O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 25693353 GHIVCZQXLBRHNM-IAGONARPSA-N 428.400 5.295 30 50 IKEA O=[N+]([O-])c1cc(/N=C/c2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl 1951253 YDFIIXUMXHTUDA-ASIDMNOUSA-N 443.246 6.311 30 50 IKEA C=CCC(CC=C)(C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 2861158 FQQSZVBBELZDLK-UHFFFAOYSA-N 428.507 6.107 30 50 IKEA COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 9066257 ROZACWHXJRDJAS-IBGZPJMESA-N 448.525 5.149 30 50 IKEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 12648739 YLNFDTSZCDVHIG-QUGAMOGWSA-N 446.934 6.244 30 50 IKEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1 19840976 JESHTGSGZJLKAI-UHFFFAOYSA-N 433.939 5.712 30 50 IKEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1 16294214 RYMSTZOJZHSMKA-NRFANRHFSA-N 444.428 5.451 30 50 IKEA CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 97950785 RSDDXNATUIZKTN-OAHLLOKOSA-N 434.622 6.578 30 50 IKEA Cc1cc2c(cc1C)C1=CC(C(F)(F)F)=C/C(=C3\C=C([N+](=O)[O-])C=CC3=O)N1C(C)(C)C2 136495486 NJFJQAFVQGEHIN-VZCXRCSSSA-N 442.437 5.337 30 50 IKEA C[C@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 658692 TWYXZUGWLLZXOA-ZDUSSCGKSA-N 447.507 5.670 30 50 IKEA COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC 681096 MPKRNEJXJDFNLB-VWLOTQADSA-N 447.962 6.820 30 50 IKEA COc1ccc(Br)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1 696118 MOWNCQBXBIQIBW-XMMPIXPASA-N 434.333 6.284 30 50 IKEA C=CCc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(OC)c1 2308612 LFOMRRFZECWVKR-UHFFFAOYSA-N 446.934 5.533 30 50 IKEA CC(=O)Oc1ccc(Br)c(/C=C2\N=C(SCc3ccccc3)SC2=O)c1 2834280 WJOHGQVRNTZRNN-YVLHZVERSA-N 448.363 5.278 30 50 IKEA COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 15800144 GRIDUHLZOPMRPW-NTCAYCPXSA-N 436.305 5.606 30 50 IKEA C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)OCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O 214465590 MJTTZPJXKAGWID-BSGGSXJLSA-N 446.672 5.474 30 50 IKEA C=CCNC(=O)[C@@H]1C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 1775975027 BFIGATMIZVPDFM-DNQXCXABSA-N 429.564 5.370 30 50 IKEA CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 4043961 CDZJJLMRMQTLMI-VWLOTQADSA-N 436.596 5.377 30 50 IKEA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 253499235 UILXPFRZQGQVFT-DFUZWZBHSA-N 442.546 6.174 30 50 IKEA biogenic C#CCn1c(C(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)cc2ccccc21 2325861986 FHYJKMCBIRINOY-UHFFFAOYSA-N 425.435 5.669 30 50 IKEA CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)cc1)OCCO3 4794488 YHSOMHJNKIFCNX-OAQYLSRUSA-N 440.337 5.421 30 50 IKEA CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)cc(OC)c32)cc1 4794675 LTDKSJCNNZLYJX-XMMPIXPASA-N 434.580 5.751 30 50 IKEA C=CCc1ccccc1OCCn1cc(/C=C2/SC(=S)N(CC)C2=O)c2ccccc21 6353578 XOARQXKDLXPBEC-XQNSMLJCSA-N 448.613 5.670 30 50 IKEA CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 9761316 HAAUAOQFPSNHAJ-IBGZPJMESA-N 442.968 5.054 30 50 IKEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 720527 GFHWUBIEAVZQDB-ODCWNRFASA-N 432.545 5.745 30 50 IKEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccnc2)cc1 1001502 VQEAGRYMZHFYAX-HRFSGMKKSA-N 439.515 5.011 30 50 IKEA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]12C 254611907 HAHDDRPLUQXNKO-MOWMVBNASA-N 442.596 5.186 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 861123 FLWSURSIFHMWID-QLXKLKPCSA-N 441.487 5.583 30 50 IKEA Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 2865442 XCQYTDYOONTSMC-GOSISDBHSA-N 439.298 5.938 30 50 IKEA Br/C(=N\Nc1ccc(Br)cc1Br)c1ccccc1 4290538 LCAVXBLQYLZLDG-AQTBWJFISA-N 432.941 5.380 30 50 IKEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1F 16731117 UTPRYMKBYHTWKB-FQEVSTJZSA-N 425.843 5.159 30 50 IKEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 18143240 GDCZHXZFINBTRP-HFJWLAOPSA-N 430.935 6.328 30 50 IKEA C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 36026018 MNOLWTJPNGKKBZ-PSQINSSGSA-N 448.364 5.216 30 50 IKEA O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 25693386 SXMAMABIMAQBRJ-PHEQNACWSA-N 428.400 5.295 30 50 IKEA CCCCCCCCCCCCCCCCSc1ccc(C(=O)OC)cc1[N+](=O)[O-] 101016067 XAZYSNBDKXUVIR-UHFFFAOYSA-N 437.646 7.955 30 50 IKEA O=C1CCCC(O)=C1[C@H](Sc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 101082259 UXFUODISDMCESE-MALKISGLSA-N 438.592 7.010 30 50 IKEA Cc1nc2cc(Cl)ccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)c(Cl)c1 253427649 NOYZXGUDTUFTSY-XYOKQWHBSA-N 436.313 7.552 30 50 IKEA COc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC 708631 WRIQFXLZESDFIP-UHFFFAOYSA-N 438.483 5.684 30 50 IKEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1c(F)cccc1Cl 1130016 CCPSBZYGMFJUEL-QKFKETGDSA-N 443.877 5.153 30 50 IKEA CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 1423604 HIOLYXVTOUANHY-AWEZNQCLSA-N 445.585 5.341 30 50 IKEA COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 19790555 RHUYASIFBKPRFF-MTDXEUNCSA-N 449.982 5.079 30 50 IKEA C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)/C(=N/c2ccc(Cl)cc2)S1 136937446 XXQXWDQLDZONDF-JJWVPTHESA-N 436.320 5.566 30 50 IKEA C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O 218112360 OITGNENIPHFEMQ-BRTCBXNNSA-N 439.467 5.094 30 50 IKEA biogenic C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OCC 16183999 HJULPJCFRCYCER-ATVHPVEESA-N 448.828 5.099 30 50 IKEA CCCCCCCC(=O)N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl 3065900 XVDBULGDXDEIJG-HNNXBMFYSA-N 439.861 6.561 30 50 IKEA COc1ccc(OC)c(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1 12572556 UFYBMNAMROTYCB-XYOKQWHBSA-N 445.902 5.762 30 50 IKEA