smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2229140 SAQCWQNTNXTCTO-SNFPTOCBSA-N 475.520 4.886 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 13943594 UIWDYZPTKGTDEL-MFOYZWKCSA-N 451.331 4.687 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 15008510 WTPQFTZEPOVIPL-UDWIEESQSA-N 462.483 4.628 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1 59135946 KCFBXHBFHDOZRU-CPNJWEJPSA-N 477.517 4.691 10 40 JJCB O=C1C[C@@H](c2ccc3ncccc3c2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115646 NKCYPRNFHYRVEP-KRWDZBQOSA-N 451.434 4.860 10 40 JJCB biogenic CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(OC)c(OCC(=O)OC)cc1Br 100319452 CWOWRWIGMXVAIZ-GZTJUZNOSA-N 487.350 4.596 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC 110422756 COWHQHDFAHNELP-KEBDBYFISA-N 472.632 4.543 10 40 JJCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223310787 BRNZLJKBKRSJGH-GPUOULLFSA-N 462.619 4.649 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622435 NUWAXTWSKKSKSG-XZOQPEGZSA-N 471.026 4.506 10 40 JJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 223687920 ZTCCCSJQXZGFNE-LOSJGSFVSA-N 462.619 4.587 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)c2c1 408773751 XDJPJEVAENUFQA-CJLVFECKSA-N 458.514 4.866 10 40 JJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)cc2Cl)cc1 408943313 RPPLQHVJISJDLW-UDWIEESQSA-N 490.899 4.592 10 40 JJCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 670416574 XQHKQRWFZFYAFN-LHHJGKSTSA-N 484.298 4.851 10 40 JJCB CC(=O)[C@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9009877 MTFIUQRMLGDFCN-SDHSZQHLSA-N 455.460 4.987 10 40 JJCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 10232907 KLESTBLDEYRJTJ-FBJMNJBLSA-N 478.573 4.571 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 12696945 LBVAQABVJPQTEZ-UHFFFAOYSA-N 492.428 4.548 10 40 JJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c([N+](=O)[O-])c1 222835901 WNQCXAPBSBCVAQ-DHIUTWEWSA-N 465.579 4.787 10 40 JJCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224172217 WJPYTVRXIYXJKS-OAQYLSRUSA-N 486.465 4.701 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408890365 RWRDPDYSFNUFPD-OEAKJJBVSA-N 486.524 4.653 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S 409134126 MVMUJOCJZFXHEC-BKUYFWCQSA-N 455.649 4.901 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 409206506 WOHWZIKIXHXDKW-JCMHNJIXSA-N 477.948 4.778 10 40 JJCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409228308 XBTVLOWQSIBJPW-MFKUBSTISA-N 472.504 4.904 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 9293639 AFIAKGAZJPHBRV-MNVVZTSHSA-N 481.887 4.938 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl 9296623 YLBAZGOJWGWPCD-SFQUDFHCSA-N 452.869 4.528 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(=O)N=C2O)o1 9312937 FRPHWEXSDVUFER-ATVHPVEESA-N 480.860 4.902 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(-c4ccccc4)noc3C)c2C)cc1 12637189 YUIMYXGLUNCFGV-UHFFFAOYSA-N 472.497 4.884 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 13145461 COBBXQBVCVQEBJ-UHFFFAOYSA-N 456.292 4.625 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 17994338 SJMOHJFCZHUNAC-NJYVYQBISA-N 492.314 4.689 10 40 JJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)S2)cc1 18193864 FPEDGSIKDUFCBN-DHDCSXOGSA-N 464.297 4.544 10 40 JJCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22851811 QQBAQWNATIGTEN-QFIPXVFZSA-N 487.585 4.677 10 40 JJCB CN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 26967310 STOQSPIPXQUGHR-OVHOFWQVSA-N 491.805 4.616 10 40 JJCB Cc1oc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 28739505 IGZTZBPFXNUAJK-UHFFFAOYSA-N 450.535 4.527 10 40 JJCB CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 33747442 WSSYBTFYTFMGJB-ZNZIZOMTSA-N 479.532 4.692 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccccn3)n2C)c(C)n1-c1ccc(OC(F)F)cc1 34718846 MIRROKCFWVXYEJ-UHFFFAOYSA-N 469.517 4.861 10 40 JJCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)c1 41108049 CRCANMJVKFJUQS-QNPCYTEQSA-N 455.543 4.792 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(I)cc2)C(=O)N1c1ccc(Br)cc1 59198142 YZWPSZIILDBBRW-NTEUORMPSA-N 497.086 4.560 10 40 JJCB COc1ccc(N2CCCN(C(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)CC2)cc1 83947473 KKHLBHIQJDOMPT-AREMUKBSSA-N 492.019 4.949 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223543974 JDVOEQHOLWWGCS-DNQXCXABSA-N 454.603 4.760 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 408936503 KPOCHRPCTWDSOB-BKUYFWCQSA-N 450.853 4.725 10 40 JJCB CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 1801925 YKMVGNYIIFFHIB-QBFSEMIESA-N 452.652 4.562 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)c1 8819183 ILRGECUVMDMPDO-ZHZULCJRSA-N 454.573 4.518 10 40 JJCB CCSC1=NN2C(=N)/C(=C/c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 41083513 LUWHWCRBYAIHKC-CGQRCSLRSA-N 489.582 4.748 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc(-c4sc(-c5cccc(C)c5)nc4C)n[nH]3)CC2)cc1 49002320 ATSXDPRQVOOOLS-UHFFFAOYSA-N 473.602 4.788 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CNCc2ccccc2)c2ccccc12 101359920 HFIKYBCDMVMSNC-VMBKIOOXSA-N 464.569 4.598 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102748729 SRPBONRGTZUWMR-UODIDJSMSA-N 455.558 4.892 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225509387 OTMYMEBBDBJMSG-SXOMAYOGSA-N 496.640 4.804 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 408742003 UEMHDNQBRLMOFF-CPNJWEJPSA-N 477.314 4.695 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Br)cc1 408882890 SNVQXPNPLBFGTF-ZHZULCJRSA-N 493.382 4.859 10 40 JJCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 409107075 UPNSPTSNZIZBBI-MOSHPQCFSA-N 473.392 4.831 10 40 JJCB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1C 409338546 LVGYLPBPUZQKQW-MFOYZWKCSA-N 477.405 4.572 10 40 JJCB CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 8819443 CLPSEWHMUQWMOK-QNGOZBTKSA-N 486.615 4.723 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1O 8819987 AYIUFUHJGASZTQ-MOSHPQCFSA-N 470.572 4.521 10 40 JJCB CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2ccccc2OC)SC1=S 9425562 TXVGHCCKEWKODY-HKWRFOASSA-N 459.589 4.773 10 40 JJCB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9463339 AAEKODKPPAKIEC-UODIDJSMSA-N 479.532 4.692 10 40 JJCB CN(C)c1oc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1Br 59104674 WSPKPHQYFOBICZ-KPKJPENVSA-N 499.184 4.542 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223480221 WHCMPVLBBBTGQJ-LOSJGSFVSA-N 455.587 4.757 10 40 JJCB C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCOCC2)cc1 225838687 SBMNPSIPZKPCMA-ZDUSSCGKSA-N 454.821 4.987 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408868664 PJWBKNFETXUMOB-CIAFOILYSA-N 494.906 4.754 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 408874667 DVOJWMOHLNZERM-CIAFOILYSA-N 494.906 4.841 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2435714 JLLNKSUKZIGJOX-HIXWQLQUSA-N 469.563 4.934 10 40 JJCB N=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 9282678 NFBUFHDPBAABIF-QHKCELSSSA-N 480.528 4.891 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1OC 9333987 PCIBEHIBHQJGBQ-PLPOMQQBSA-N 494.573 4.581 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)c2C)c([N+](=O)[O-])c1 16268493 GVZVOFKMUIHARX-UNOMPAQXSA-N 476.514 4.683 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 223541367 BWACSDAARKAJRP-UIOOFZCWSA-N 483.597 4.786 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Br 223617332 NQFHDYGPCYQOIU-YADHBBJMSA-N 485.451 4.607 10 40 JJCB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225951834 TUAINZNIKASPEZ-OAQYLSRUSA-N 493.725 4.790 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)c1C 408757646 OHPHXQKWZOVSHH-HAHDFKILSA-N 464.525 4.926 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)c(OC)c1 409095843 DMMUJAHUBPWWJL-LDADJPATSA-N 495.988 4.596 10 40 JJCB COc1ccc2c3c(n(-c4ccc5c(C)cc(O)nc5c4)c(=O)c2c1OC)-c1ccccc1C3=O 1547138844 HGXPSEQTHDEJFH-UHFFFAOYSA-N 464.477 4.782 10 40 JJCB biogenic Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccc(Br)cc1 3287760 ARGYLKOPAVQVPD-UHFFFAOYSA-N 463.309 4.866 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1OC 8763493 DUXHDWPDFXWPJD-LGMDPLHJSA-N 477.633 4.561 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 8816374 GZRJCYVPKHGRLM-CIAFOILYSA-N 476.510 4.937 10 40 JJCB CC[C@@H](C)Oc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 10130628 YIVSLWMHEDAOJH-AHEVQNHNSA-N 477.389 4.698 10 40 JJCB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)c1 13758254 HYPQDDSKLZNQMD-RGEXLXHISA-N 463.584 4.939 10 40 JJCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1 408867879 OHCZCVVLUVOLOX-LPYMAVHISA-N 460.917 4.920 10 40 JJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409056973 NZMDSOCIGDHAIZ-CAOOACKPSA-N 481.343 4.595 10 40 JJCB Cn1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc21 9234401 HUXOHQULWBCOTE-AWQFTUOYSA-N 451.617 4.627 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)o2)cc1 17045885 FDQONYJMPDWQPV-XSFVSMFZSA-N 460.442 4.639 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c1C 59109538 PAKFRUCAPWTDQE-DEDYPNTBSA-N 450.495 4.946 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)c1 59248963 OCFFHPVPWQYYCL-DEDYPNTBSA-N 464.319 4.523 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222837031 MXXRHMQIUJIRCV-PKTZIBPZSA-N 465.579 4.787 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)N(c2cccc(C)c2)N=C1C 408535496 SWUWGIJQDJIYCX-JWGURIENSA-N 490.585 4.831 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2cccc(F)c2)c1 408893302 DQDBANUJDMGMPU-CIAFOILYSA-N 480.879 4.733 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC 408900790 VBGODHJFROXZPS-LZNAANCOSA-N 456.926 4.891 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)c1 409097756 JGSSIRXONGVPND-LPYMAVHISA-N 476.964 4.896 10 40 JJCB COCCN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524731243 PMHSEEPGZMFGAV-BKMJKUGQSA-N 476.617 4.879 10 40 JJCB biogenic COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 8453058 DCWORWUOYNFROM-VZKFJVGXSA-N 478.574 4.737 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 8819103 MCFGITPOIUEFKF-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=O)N=C2S1 41082852 WHFJGLIDVKLELA-JEGSZOCCSA-N 456.915 4.848 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Br)c1OC 59136305 VVXZDBVYFIWFSZ-XYOKQWHBSA-N 479.327 4.667 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 223555206 DFXHWZZTSBAAFA-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 223792632 WCQWCLMTXXAKNQ-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 408935614 ICNIEMHGQCWJJR-STZFKDTASA-N 477.314 4.695 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC(C)C)C2=O)cc1 409052751 AETLQUZKTWSRSL-RQZCQDPDSA-N 463.317 4.703 10 40 JJCB O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 409341309 AYVFXGPEIWYDND-UNOMPAQXSA-N 466.500 4.759 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 2269102 URAZTGNIHXNUKK-RVDMUPIBSA-N 464.890 4.627 10 40 JJCB CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 2408536 WSSYBTFYTFMGJB-NXCFDTQHSA-N 479.532 4.692 10 40 JJCB O=C(Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O)c1ccccc1I 9144419 UECYFWZKHDSCDY-UHFFFAOYSA-N 487.680 4.972 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 9282611 FVNMTLPVWMQJFO-XBKRUARRSA-N 461.469 4.674 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 9293663 OZSXWRIUYLSTBP-ZZYMSUEGSA-N 450.524 4.730 10 40 JJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 32694373 WCTKFJMLDONRNI-YDDPGSGASA-N 477.991 4.992 10 40 JJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 100931039 REOYEQVTPPESDE-LFVJCYFKSA-N 460.559 4.823 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622492 NUWAXTWSKKSKSG-GOTSBHOMSA-N 471.026 4.506 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)cc1Cl 408805197 JMDBOIJSKZJQBX-OVCLIPMQSA-N 477.742 4.865 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1 409144920 HENXLUBKGHRYMO-XDHOZWIPSA-N 461.499 4.611 10 40 JJCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 409240534 LEPXZVFNISMLHC-UDWIEESQSA-N 458.495 4.541 10 40 JJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O 409247583 DKNOQIDLNYVVSA-WOJGMQOQSA-N 496.370 4.772 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 409346502 LDFRCFBUWCBPLQ-DHDCSXOGSA-N 481.349 4.867 10 40 JJCB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)ccc2c2c1CCCC2 1614472765 HVGLMGJCHJOAAV-ALYLFKNPSA-N 460.618 4.772 10 40 JJCB biogenic CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C(=O)N=C1O 5947694 XUCHYAYEBKAMOV-LDADJPATSA-N 466.335 4.696 10 40 JJCB COc1ccccc1OCCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 6298659 DHRVRCUAVJXZBR-OQKWZONESA-N 487.556 4.523 10 40 JJCB CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN21 8691746 MLWVCLZAHOXDIB-ZRBLBEILSA-N 452.510 4.817 10 40 JJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 10232827 FNNWTXLCUPCRNR-YNGKYYQNSA-N 480.523 4.752 10 40 JJCB Cc1ccc([C@H](c2cc([N+](=O)[O-])ccc2O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12939034 HJWIVDGVIQXMEA-HSZRJFAPSA-N 472.467 4.934 10 40 JJCB CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221158 PANGMBJSCNNIEI-HNNXBMFYSA-N 490.464 4.511 10 40 JJCB biogenic C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc21 208198895 JBZCASAASYWDEZ-HIPSJFSSSA-N 482.378 4.838 10 40 JJCB COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1 226069849 SFGZZUFFYQCPGT-AREMUKBSSA-N 498.708 4.988 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1 409209780 IQOBKPXKUVTTKR-XKZIYDEJSA-N 489.553 4.776 10 40 JJCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCC)c1 1195938 MGPZJJFSLGSZGE-DHDCSXOGSA-N 465.358 4.622 10 40 JJCB COc1ccc(N2CCN(C(=O)c3sc4nc(C)nc(N5CCC(C)CC5)c4c3C)CC2)cc1 9434318 PUSXHCUVDSAKBX-UHFFFAOYSA-N 479.650 4.515 10 40 JJCB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OC(C)C 13426864 WGMPQHZIHXHSST-LFVJCYFKSA-N 488.613 4.937 10 40 JJCB Cc1cc(-c2csc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)n2)c(C)n1-c1ccc(F)cc1 103877234 TYAWMEMXWOEWJJ-UHFFFAOYSA-N 487.560 4.785 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C2=O)cc1 107771955 NOZBPXRGJPAZSM-XWAFYUISSA-N 456.926 4.755 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C)c1 113833884 XSEZTZBSWYOPQQ-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223467894 HNSYVUSIIQVLDK-JWQCQUIFSA-N 454.603 4.760 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(=O)O 223538503 DXNQYVFOKQNNPJ-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)SC1=S 409143750 HQQQGTWLTRJOFK-LJQANCHMSA-N 480.449 4.754 10 40 JJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1OC 2261849 AGSLFHPSSJXEIL-LZYBPNLTSA-N 499.397 4.565 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 4108910 YFRSWTSLBKGPAY-KQWNVCNZSA-N 470.525 4.758 10 40 JJCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 23744940 LEVQCUHSGLAGNP-UHFFFAOYSA-N 459.634 4.857 10 40 JJCB O=C1C[C@H](c2ccc(F)c(F)c2F)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96117524 GLDACDMBZVXPOM-GFCCVEGCSA-N 454.356 4.730 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 100414106 SIFAUZJHQPCUNX-NJYVYQBISA-N 492.314 4.689 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409238456 DJVHRQMWBTYCOI-FYJGNVAPSA-N 492.963 4.596 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 1737243 VSCSDIPLMSCTIY-FOCLMDBBSA-N 461.362 4.576 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 9232767 LRRUSJWKFORAQM-YBFXNURJSA-N 455.517 4.819 10 40 JJCB C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1)N1CCN(C)CC1 16949264 YSYWMXHWPBILKI-JWGURIENSA-N 498.077 4.966 10 40 JJCB N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CCCCC4)nn23)C(=O)N=C2SC=NN12 41074286 RIELBXOJJFUFGP-PMOKRTJVSA-N 461.576 4.754 10 40 JJCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1 100415682 UHDIDDINXMOJFI-GSDHBNRESA-N 487.511 4.843 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 260838971 FXXMPLCHZXDHHO-REWPJTCUSA-N 485.694 4.963 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 408574736 MMPVEUKEKALTCD-MTJSOVHGSA-N 470.616 4.939 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)ccc1Br 408766510 VBDOZZIGHLETCK-KPKJPENVSA-N 454.107 4.731 10 40 JJCB Cc1ccccc1Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2221972 IRPQGSHWKFOZRA-UCQKPKSFSA-N 453.473 4.804 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1Cl 8770346 KHYSTRQIRDHQHN-WJDWOHSUSA-N 466.833 4.814 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1O 9232407 SJZBRXRBAMRIHM-MHWRWJLKSA-N 465.394 4.635 10 40 JJCB CC1=NN2C(=N)/C(=C/c3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1 13940024 RYNKHWGIOUQSII-ZQCYNNBZSA-N 457.559 4.976 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1 41077880 ZUBHEDCUBSFIQF-DEIISRMLSA-N 473.533 4.909 10 40 JJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ncc(Br)cc1Br 100535490 SNHZQRYPEYWBBZ-ZROIWOOFSA-N 450.134 4.634 10 40 JJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 113469068 NBJZNGCIPXLYJA-ULJHMMPZSA-N 493.564 4.910 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 113837892 GNWPAUQTXXLSRE-YBFXNURJSA-N 461.536 4.572 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 223311856 IHQQPKCOELIZOO-UCGXPXSYSA-N 475.662 4.707 10 40 JJCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1 409337956 AFJJAVSZWMLKJZ-SXGWCWSVSA-N 490.971 4.906 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)c1 409357454 QJKJCUOSNGTOIC-LPYMAVHISA-N 489.553 4.776 10 40 JJCB COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1NC(=O)c1ccc(Cl)cc1Cl 1024429 YTIQZYAUZIHNCE-UHFFFAOYSA-N 485.279 4.753 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)c1C 9010052 CVERZSUEQAHSHD-KGENOOAVSA-N 489.553 4.561 10 40 JJCB COc1ccc([C@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9111238 HKUBMCTXJHKQJC-UODIDJSMSA-N 467.496 4.857 10 40 JJCB CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 9350342 VATVBGDKGLDIHL-UHFFFAOYSA-N 492.626 4.615 10 40 JJCB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)Nc2cc(C)ccc2C)c(C)c1 12529047 IDHSZTFTRXJXJE-UHFFFAOYSA-N 499.618 4.943 10 40 JJCB aggregator Cc1nc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n(C[C@@H]2CCCO2)c1C 21569084 YMWLHMACJUHEFT-FQEVSTJZSA-N 467.591 4.790 10 40 JJCB CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96114631 HRQRAFCZQVOBCG-MRXNPFEDSA-N 474.465 4.805 10 40 JJCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CNCc2ccc(F)cc2)c2ccccc12 101354365 WATPQMAWQGUGBL-RXKZJVHISA-N 482.559 4.737 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 223348509 LWYJJYVAXCLAEA-BJKOFHAPSA-N 472.570 4.953 10 40 JJCB COc1cc(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OC 408902492 OMSNTUIBDMJMAP-OQLLNIDSSA-N 483.352 4.714 10 40 JJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 409367905 NPKZBVQYLFGIQH-VGOFMYFVSA-N 469.331 4.840 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC 2393303 MGEZRTYKBHBTNE-MHWRWJLKSA-N 466.378 4.881 10 40 JJCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 8870225 GQYVPBRDHFYUQV-HMAPJEAMSA-N 474.563 4.624 10 40 JJCB COc1ccc(N2CCN(C(=O)Cc3csc(SCc4ccc(C)cc4)n3)CC2)cc1 8936100 MVQFFGCGQNJKBQ-UHFFFAOYSA-N 453.633 4.644 10 40 JJCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2S(=O)(=O)c2ccc(Cl)cc2)cc1 9288921 UWCVWMQKKGCRPA-UHFFFAOYSA-N 497.024 4.689 10 40 JJCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)n1nc3c4c(cccc41)C(=O)c1ccccc1-3)c2[N+](=O)[O-] 12493033 HWVUZLCBTHJPGA-UHFFFAOYSA-N 499.438 4.620 10 40 JJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(N(C)C)c(Br)c1 100251756 NQQMWMQTNYVNOK-RIYZIHGNSA-N 462.731 4.673 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223721251 BYCARDYJFGLQTO-LOSJGSFVSA-N 462.619 4.723 10 40 JJCB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)no1 408669601 XDZXAQBLONJLBD-UHFFFAOYSA-N 487.512 5.219 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1cccc(F)c1 408874830 BITHAFSMBCIKGR-HYARGMPZSA-N 458.489 4.708 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OC 409197859 QIAFAKYJCVHXHB-MHWRWJLKSA-N 467.410 4.812 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c(C)c1 409240880 QOHWNDDGTHRIOV-OEAKJJBVSA-N 457.530 4.590 10 40 JJCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 1244669 WHFLVMOPEGCKJH-LZYBPNLTSA-N 469.371 4.557 10 40 JJCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 2264589 OWWSVTOKRIKOMA-MNDPQUGUSA-N 470.664 4.855 10 40 JJCB CCOC(=O)[C@H]1[C@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9293168 WSSYBTFYTFMGJB-KKUQBAQOSA-N 479.532 4.692 10 40 JJCB CC(C)Cn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccc(Cl)cc2c1=O 12633707 RESZUGCHRMJLJL-UHFFFAOYSA-N 473.042 4.523 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl 13893168 ANRVSYHPXPEGPI-MFOYZWKCSA-N 451.331 4.687 10 40 JJCB COc1ccc(C)cc1-n1cccc1/C=C1/C(=N)N2N=C(c3ccccc3F)SC2=NC1=O 41108201 BBJWDGCAZLFMPV-PKDRVQFCSA-N 459.506 4.601 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)cc1C 408847542 NJEIQNBNZHWGGM-SRZZPIQSSA-N 491.931 4.729 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 408993863 XMWYRNFEPCRQIS-RVDMUPIBSA-N 492.494 4.615 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O)Nc1cccc(F)c1 409236241 FKLQSXXOBPDLNK-RGVLZGJSSA-N 457.502 4.630 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409240184 OWQUDFOIDHURLI-CPNJWEJPSA-N 491.931 4.509 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(O)cc1 409242384 ROWSFNOFPOIYAR-OEAKJJBVSA-N 459.571 4.754 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9632047 POQGRYXLRISQLJ-RUZDIDTESA-N 481.474 4.689 10 40 JJCB N=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3)=NN12 12285042 WTJIQGOMPJAOCC-NSDVAZHGSA-N 468.538 4.812 10 40 JJCB O=C(OCc1csc(Nc2ccccc2)n1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 12555706 DKHQEYWXIMKWRZ-UHFFFAOYSA-N 487.584 4.812 10 40 JJCB COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 20154769 KWUYNDJJTUIJRW-VFHVDCSJSA-N 496.614 4.710 10 40 JJCB Nc1nc(N)c(/N=N/c2ccccc2)cc1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104090926 PAQABCKKWSEBTJ-SWGBCSPSSA-N 474.510 4.668 10 40 JJCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc12 107931195 CAAJVIBCONZHRN-ULJHMMPZSA-N 450.494 4.889 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cccc(Cl)c2)c1 408804666 GISHXXSJNPNNOD-FYJGNVAPSA-N 462.889 4.594 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1 408819250 ZZSCNFXLCCCPRT-UDWIEESQSA-N 492.915 4.690 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2cccc(Cl)c2)c1 408873478 UPHMCTACGQDVSJ-BKUYFWCQSA-N 478.957 4.759 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(O)c1 2278915 WVSZERIXPBVHTQ-BOPFTXTBSA-N 477.405 4.775 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 2671716 YDRCEIQSAWVGFZ-STZFKDTASA-N 465.600 4.704 10 40 JJCB Cc1ccc(-c2c3c(nc4nc(N5C[C@H](C)C[C@@H](C)C5)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 10339161 FYKQXFZDIPXLCH-IAGOWNOFSA-N 450.542 4.987 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238589 QLWIDXHYBSJFTK-UNOMPAQXSA-N 461.430 4.756 10 40 JJCB CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 32099361 CGEDSRYMARBJFS-PDGQHHTCSA-N 471.296 4.892 10 40 JJCB COc1cc(/C=C2/SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)ccc1O 35419316 DYMWDFDNPDHJPE-WLRTZDKTSA-N 461.874 4.696 10 40 JJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1 101481046 JJIYRXZFRCGGNL-ZRBLBEILSA-N 485.923 4.652 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 225603581 LXBXMEOPGSEWEO-UHFFFAOYSA-N 478.058 4.681 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 408880614 GDBRXAXKNDSZCH-UYRXBGFRSA-N 450.853 4.725 10 40 JJCB C[C@H]1S[C@@H](c2ccc(N(C)C)cc2)N(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1=O 1084176 MPLWESDNAKRVML-GIPWTMENSA-N 488.824 4.786 10 40 JJCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 8818996 LPVYRKRHRBEQIE-CLXYIWAZSA-N 476.532 4.708 10 40 JJCB Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)c1 9805589 OLLWNKMXPBOKMV-GLOGPVGLSA-N 461.330 4.706 10 40 JJCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 15012544 DUXPRXRCQYBIAG-MTJSOVHGSA-N 466.335 4.616 10 40 JJCB CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OCCOC)c1C 44827069 LGMNYJAVFMVGIT-XDJHFCHBSA-N 499.589 4.535 10 40 JJCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c1 59136261 LGUIEKHFFCCENL-SFQUDFHCSA-N 464.474 4.852 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409128728 UCGHLJAUQYLQRE-FVHJOOJJSA-N 497.686 4.718 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br 409241245 SJKILBKDWLJUQX-UKTHLTGXSA-N 479.783 4.721 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 2199835 WSFAGCMSXAAUBW-SDXDJHTJSA-N 451.573 4.878 10 40 JJCB COc1ccc(N2CCN([C@@H](c3ccc(C(C)C)cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23157231 PSCRDLXJVGWORZ-QHCPKHFHSA-N 477.634 4.848 10 40 JJCB CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCC(=O)O)[C@H]3c2ccc(N(C)C)cc2)cc1 83854262 FWVCPSHQUCTEGN-VGCHZVNRSA-N 474.605 4.806 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)C2)cc1 260899523 LPOSOVFHLSRXHB-VWNXMTODSA-N 483.678 4.509 10 40 JJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 408776152 MQQLTRKQLVDORS-OQLLNIDSSA-N 493.741 4.566 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1 409203374 XPBVSAIHHBSUTF-UCQKPKSFSA-N 491.569 4.786 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 13940293 LZBJZTLVEQMTBH-STZFKDTASA-N 477.314 4.695 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(C(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1 16215897 ZZCHDAYVIUOXLE-PXNMLYILSA-N 454.356 4.809 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)N(c3ccccc3)C2=O)cc1 59139034 LBVGYFLEJVSGFU-QGOAFFKASA-N 498.276 4.776 10 40 JJCB COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221756 NKHGRSSWPYOSKU-QGZVFWFLSA-N 478.522 4.994 10 40 JJCB biogenic COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 100423692 XPSNJAJFZZXWKB-UNOMPAQXSA-N 490.463 4.847 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 408804501 AMJCMMOOMFINHQ-UKTHLTGXSA-N 493.741 4.566 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)SC1=S 409145183 POVXFDUWSJEECB-JCMHNJIXSA-N 468.600 4.577 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC 409334221 VHAKYJAKKZDDAD-FRKPEAEDSA-N 480.361 4.601 10 40 JJCB CCOC(=O)c1ccccc1NCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S 8426829 PXRHTYLOGZPTSP-QNGOZBTKSA-N 469.632 4.980 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 8819371 ZXDFKDVIOWVFOK-MFOYZWKCSA-N 482.505 4.563 10 40 JJCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccc(O)cc1 13547480 HYYTXXBHKAVBIR-CLCOLTQESA-N 455.583 4.770 10 40 JJCB CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 17307355 HCVXPOBUXJMUAL-NDEPHWFRSA-N 490.623 4.584 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 33707009 UAAKSIBZAFNXAX-DSNGMDLFSA-N 464.477 4.617 10 40 JJCB Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084686 XBVVMUQIMAIVRP-RKOFDGRNSA-N 489.601 4.515 10 40 JJCB Cc1c(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c2ccccc2n1C 59198562 DMXWHMIEDWFPQS-BOPFTXTBSA-N 454.349 4.921 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(C)cc1 224471464 YKPRAPTYGOOUMZ-UHFFFAOYSA-N 460.574 4.944 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Cl 408879823 HATBNSNJAKDXLY-DEDYPNTBSA-N 467.308 4.956 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 409245542 VKWWXYNJDRZKBA-XNTDXEJSSA-N 485.279 4.926 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cc1Cl 409344784 HDZKMRUACYQJCF-QGMBQPNBSA-N 451.953 4.780 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c1 2125649 RYXKZJIRTNQUKS-PDGQHHTCSA-N 484.386 4.780 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2700780 LQJRWSJCMXLKCM-DHDCSXOGSA-N 452.897 4.574 10 40 JJCB Cc1cc(NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)nc(C)n1 4972342 NKTXOTGVPZWTEQ-CYYJNZCTSA-N 477.502 4.867 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(NC(C)=O)c2)cc1 8994671 JHXYFAOMDJSEPQ-PBWSGDRGSA-N 463.622 5.000 10 40 JJCB biogenic CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)C1 10060224 YYYJRPMPZDBSKY-QKYYUXOMSA-N 480.586 4.520 10 40 JJCB Cc1cccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c1 12436739 MAWXSZSIVDENSD-GGBOFOFLSA-N 474.464 4.634 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1C 13751972 QRCBXLUQCZUBJB-UHQOKOQESA-N 483.553 4.645 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16741685 QAMZUIMJGIIMML-XMMPIXPASA-N 456.652 4.660 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 17209340 WRASOGFNVCPYLV-RGVLZGJSSA-N 463.490 4.603 10 40 JJCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1Br 20215752 BATZUIWWIOCEKR-NTEUORMPSA-N 464.772 4.840 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)cc1OC 32701763 FXHNNXKACAKLMD-PTGBLXJZSA-N 498.670 4.824 10 40 JJCB Cc1cccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])c1 33529789 UVTMULARTDOMDC-NDENLUEZSA-N 463.877 4.597 10 40 JJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S 54360597 CWZJJRBDCJRELL-YNGKYYQNSA-N 453.516 4.983 10 40 JJCB O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 58850016 IYGJSIMWLWWYGZ-YZUZCNPQSA-N 491.525 4.920 10 40 JJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 95471577 AFAGTWTZANKSKE-ULJHMMPZSA-N 474.586 4.500 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc2ccccc12 97998305 ZTNAUYQKIKZFKM-FYJGNVAPSA-N 464.568 4.697 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Br)c3C)C2=O)cc1 408779792 KKZGWVHWPABZAG-CPNJWEJPSA-N 478.346 4.831 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)c1C 408780170 ULTBUQMRXDYVJJ-FOWTUZBSSA-N 458.499 4.590 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1cccc(F)c1 408871014 XAIVPGVBLVWETJ-STZFKDTASA-N 450.922 4.901 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1 408900061 SNTLZTPTAZVALF-LFVJCYFKSA-N 498.535 4.726 10 40 JJCB O=C1C(=Cc2cc3c(cc2Cl)OCO3)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3146294 ZBBALECWKGBWRN-UHFFFAOYSA-N 462.914 4.817 10 40 JJCB CCCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1C 14357247 XCIARLFJVPVZLW-UHFFFAOYSA-N 463.917 4.983 10 40 JJCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1cccc(O)c1 20025977 FPVVPAGWXCVNDW-CLCOLTQESA-N 455.583 4.770 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c2C)cc1F 21511668 OIAIBGFXJGPLHQ-UHFFFAOYSA-N 456.558 4.552 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1O 33457716 KOUSXAPYOCCVLL-YBEGLDIGSA-N 450.379 4.955 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccccc2)c1 408806849 BZBPORSYDOUPGB-HYARGMPZSA-N 456.498 4.557 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccc(Cl)cc2)c1 408811632 RLAOSYBGRFXIRR-LPYMAVHISA-N 476.916 4.902 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1 408815268 PVXTWDCUZRUSBA-LFVJCYFKSA-N 470.525 4.948 10 40 JJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O 408821157 DAGWBUHJAOOAET-LDADJPATSA-N 494.931 4.966 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC 409097639 NNWPFJBYARUXDR-YRNVUSSQSA-N 469.708 4.721 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409240376 TUEZAVVKBCFIBV-UCQKPKSFSA-N 488.569 4.957 10 40 JJCB COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16007228 JNIJLEPTRJTOKD-VXNXHJTFSA-N 469.924 4.946 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c1C 59136252 QFHFHQSBDGJAQR-SFQUDFHCSA-N 464.474 4.852 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Br)cc1 223617835 IUKURTSFJYWFFV-VXKWHMMOSA-N 485.451 4.607 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408530277 DTGYXLOBLBNOAV-DEDYPNTBSA-N 490.899 4.543 10 40 JJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408534818 RIIODOGGQDUEKU-CYVLTUHYSA-N 452.518 4.740 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1C 408816662 RYXLQVZSEXEGRW-WOJGMQOQSA-N 457.324 4.520 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1ccccc1Cl 408883889 SCWIZOATMVAUTP-FYJGNVAPSA-N 460.917 4.914 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)cc1Cl 408991921 PFCPSTSURMDPGS-RVDMUPIBSA-N 455.948 4.619 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)cc1 409213440 VGFQEYXUQMWICT-UCQKPKSFSA-N 491.569 4.786 10 40 JJCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12 409338372 ITFIINLIVPXUFP-PXLXIMEGSA-N 477.567 4.990 10 40 JJCB CCCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c2ccccc21 409341236 AHSUGGSOVDGYCB-MOSHPQCFSA-N 451.573 4.606 10 40 JJCB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 409348790 SVNXOMPFHXEMGO-CIAFOILYSA-N 476.510 4.937 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Br)c1 8763458 PLMHSPJZBSFDQY-RVDMUPIBSA-N 451.367 4.662 10 40 JJCB O=C(O)/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccccc2)o1 9561855 MKDWLZRXXLQYFP-XMHGGMMESA-N 452.492 4.853 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(Br)c1OC 59861608 YPZSWMHDEJKUSZ-OQLLNIDSSA-N 473.323 4.980 10 40 JJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 108133311 KJNLQOAUTPAGMF-APSNUPSMSA-N 483.398 4.817 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223657279 MGGBLPDDLJMPSM-RPBOFIJWSA-N 462.619 4.642 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c1C 408782813 JTMFUYCYIONNSW-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 408893196 CYWYYRDWGWADOE-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 408914998 SWPFVZTWBBVLGG-UDWIEESQSA-N 450.853 4.725 10 40 JJCB O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 409007652 QAUMGFYRPVHLST-UHFFFAOYSA-N 482.496 4.778 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409011314 GAIFPWMKRSEXHV-LDADJPATSA-N 470.710 4.560 10 40 JJCB CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 409048844 XMHITZFFHXMJFJ-ZSOIEALJSA-N 477.389 4.706 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCCOc3ccc(Cl)cc3)C2=O)cc1 9470669 TUAMYICFXSYSOX-QJOMJCCJSA-N 477.948 4.839 10 40 JJCB COc1ccc(N2CCN(CCOc3ccc4c(=O)c(-c5ccccc5)coc4c3)CC2)cc1 54307019 JVKZXGQBABAFLH-UHFFFAOYSA-N 456.542 4.670 10 40 JJCB biogenic COc1cc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 58928823 PPXRIWPAGSVKPV-TYILLQQXSA-N 460.324 5.000 10 40 JJCB COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl 103563321 URJBPYYGKPJLOS-AVBZKNHISA-N 456.955 4.932 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(C)n1-c1ccc(C(=O)O)cc1 214987418 CXRPUJXJWSXJQX-CIAFOILYSA-N 477.498 4.937 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(=O)O)c1 223538746 QVCUINMITFNXNV-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223688865 QENHIGWGIJROLK-GOTSBHOMSA-N 469.010 4.678 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(OCC)c3)C2=O)cc1 408876158 JMNHIYIICPRSGM-HZHRSRAPSA-N 488.515 4.880 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1-c1ccc2c(c1)OCO2 3506926 GTFAPTNCUPMRMZ-UHFFFAOYSA-N 456.292 4.625 10 40 JJCB CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 33436684 RECFVXMZXDOOEO-BOPFTXTBSA-N 476.314 4.895 10 40 JJCB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 41076330 MXMKBMYMKMTYKP-GYJSJHSDSA-N 458.543 4.629 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc21 208196925 YUFFDNVJKVGJPW-ONDHQXCVSA-N 482.378 4.838 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223721782 KFNRCPQRZCUUAK-CLJLJLNGSA-N 476.646 4.977 10 40 JJCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc12 408802105 DAJMBTSBGNARCH-UHFFFAOYSA-N 464.905 4.529 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C2=O)cc1Cl 408985098 VFHJXHPANDAICU-JAIQZWGSSA-N 491.931 4.729 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 409012110 JCHPLOFFMSXNOV-MOSHPQCFSA-N 483.309 4.796 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409341958 CMYOOANRUMXKAG-WOJGMQOQSA-N 477.991 4.692 10 40 JJCB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C 1346222 XKPZIHOLGIVEBB-UHFFFAOYSA-N 463.519 4.779 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCC3)C2=O)cc1OC 8819955 YEYBOPAZKRJIPT-HKWRFOASSA-N 462.637 4.524 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9310074 OAESRWZQBCWASH-YBEGLDIGSA-N 471.252 4.618 10 40 JJCB COc1cccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1 9762227 XJUGLVBFPQMSCM-WQRHYEAKSA-N 465.980 4.646 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccco1 408936852 LDQHAVFREXWFBW-WOJGMQOQSA-N 457.269 4.832 10 40 JJCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(C)cc1 409125354 CYYUGMIHYXHOJB-HAHDFKILSA-N 458.539 4.983 10 40 JJCB CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 2361824 YLITUIWNNSXKAH-LTGZKZEYSA-N 465.981 4.945 10 40 JJCB CCOC(=O)[C@H]1N2C(=O)[C@@H](N=[N+]=[N-])[C@@]2(c2ccccc2)SC12c1ccccc1-c1ccccc12 8383798 LGDCTGUWGJXHDU-XLGIIRLISA-N 468.538 4.963 10 40 JJCB COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9111241 HKUBMCTXJHKQJC-CYXNTTPDSA-N 467.496 4.857 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 9235173 UAEKTFRFJQMTLZ-CIAFOILYSA-N 477.498 4.937 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 9310705 JJHWLOLPMHLNSZ-MHWRWJLKSA-N 464.366 4.829 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)c2C)cc1 9512148 MUOBKICIMAYGSS-UHFFFAOYSA-N 489.572 4.773 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13643928 BVXINOAOHQDTML-AJOUPAOOSA-N 484.691 4.877 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 34794610 RQDRICGHXMJQGY-JLPGSUDCSA-N 472.516 4.993 10 40 JJCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)C(=O)C2=O 100919990 URUNJFKMGKZHIQ-WOJBJXKFSA-N 495.167 4.630 10 40 JJCB CC1(C)[C@@]2(C(=O)Oc3c(Br)cc(Br)c4cccnc34)CC[C@@]1(C)C(=O)C2=O 100919992 URUNJFKMGKZHIQ-PMACEKPBSA-N 495.167 4.630 10 40 JJCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1cccc2ccccc12 104123995 AJQQUMFFWDHJIC-MJAPIOKUSA-N 493.570 4.777 10 40 JJCB CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 109020592 YUGIJHAPGBQYGL-ATVHPVEESA-N 477.742 4.948 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 224220932 ILJFZVHKIONPQM-UHFFFAOYSA-N 493.673 4.970 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O 225505744 WAKAUCOCKRWTLO-SVBPBHIXSA-N 497.624 4.806 10 40 JJCB O=C(O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1 408841107 HPNPYDKJAONWIT-DEDYPNTBSA-N 463.287 4.687 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(I)cc3)c2C)SC1=S 3183402 VHCGLIFYFNFHOD-YBEGLDIGSA-N 468.385 4.920 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4SC(C)C)o2)c([N+](=O)[O-])c1 20239035 QCSFAMPJILNJQF-PRZRADHTSA-N 485.547 4.972 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C 223651124 IHVYPIIEISDOPR-RPBOFIJWSA-N 462.619 4.587 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 409242806 VVKSSVDDHFDYJA-BUVRLJJBSA-N 457.530 4.672 10 40 JJCB CC(=O)Nc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409368154 NOIZQXBMPOMXTD-PXNMLYILSA-N 481.386 4.890 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl 666022 ZJXJXFWYXJFVBU-QGOAFFKASA-N 466.896 4.918 10 40 JJCB COC(=O)c1c(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CC[C@H](C)C2 2889880 GARWZEOFRNWCJZ-UGSOOPFHSA-N 463.559 4.574 10 40 JJCB COc1cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)ccc1OC(=O)c1ccco1 41083581 MHGIUQNNWSYVMF-URDSPAQOSA-N 489.484 4.951 10 40 JJCB Cc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41085022 XAPWDXUIXDRQLX-RKOFDGRNSA-N 489.601 4.515 10 40 JJCB O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)N1CCCC1 408577487 STKYEVUEAXVPCR-UYRXBGFRSA-N 458.992 4.747 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c1 408763723 ULUOIDQNGHPWHW-WSDLNYQXSA-N 479.989 4.978 10 40 JJCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 408949679 BSZUBGZBWDOAFX-GHRIWEEISA-N 469.328 4.517 10 40 JJCB COc1cccc([C@@H]2Nc3ccc(I)cc3C(=O)N2c2cccc(F)c2)c1O 2746599 WVFWTDPXAKFAAY-HXUWFJFHSA-N 490.272 4.916 10 40 JJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 9339683 RXOFZHDSQIVZEG-ZHZULCJRSA-N 479.583 4.614 10 40 JJCB Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 9458093 BOFZXBUBMBWURX-FSWFDUBRSA-N 497.580 4.824 10 40 JJCB COc1ccc(N2CCN(C(=O)CSc3ncc(-c4cccc(Br)c4)o3)CC2)cc1 16841418 YUVBRXQBDDUFFR-UHFFFAOYSA-N 488.407 4.554 10 40 JJCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1Cl 32109789 VAZNVSMZIKOGSF-YBEGLDIGSA-N 458.257 4.931 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 33777241 MYKALILFZDWBJQ-JLPGSUDCSA-N 472.516 4.993 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59136174 JGVCWSYPOPQDNU-GZTJUZNOSA-N 494.504 4.822 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 169680801 SIFAUZJHQPCUNX-NJDAHSKKSA-N 492.314 4.689 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409072600 TUMHWGNEYXPVAX-DTOZUZIGSA-N 453.347 4.999 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1 409244995 LWWQEDUJRBIJAP-HAHDFKILSA-N 453.473 4.804 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2)SC1=S)c1cccs1 409328864 BQNQBCMAFOQRJT-HMMYKYKNSA-N 482.608 4.752 10 40 JJCB CCCc1cc(=O)oc2c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 524731462 ZACLMVXAZADIAF-XUZZJYLKSA-N 456.627 4.554 10 40 JJCB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1C 3350640 XVOLWQPJMJVQTA-UHFFFAOYSA-N 488.487 4.857 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 9259423 CLGMQLLVHAOORG-RVDMUPIBSA-N 480.958 4.792 10 40 JJCB O=C1c2ccccc2N[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 12550226 UDUFTTIGWHSNMT-VWLOTQADSA-N 472.501 4.690 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1C 15231356 HRWJNNNUHJJZEP-GZTJUZNOSA-N 498.919 4.665 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 17823185 UDSSIJUPXWYCDQ-MTIDIVMFSA-N 456.498 4.788 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 26675933 XDVIOCVSGOIDQY-FEGZGKEQSA-N 478.574 4.799 10 40 JJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)cc(I)c3O)C2=O)c1 83308387 KWJGMQQGZSAPPE-VGOFMYFVSA-N 496.688 4.774 10 40 JJCB COc1ccc(NC[C@H](O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1 101355790 GTDZTLWJHAUDHU-RLWVUDJFSA-N 480.568 4.929 10 40 JJCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)ccc2O)C(=O)N1c1ccc(Cl)cc1 102755873 KBNJRCDQXSCABO-PCCBWWKXSA-N 499.748 4.859 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223692774 ACBYMZZMCTYYPF-LOSJGSFVSA-N 462.619 4.642 10 40 JJCB CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 408578380 XVGXQMULQSFDRM-MOSHPQCFSA-N 456.589 4.712 10 40 JJCB O=S(=O)(O)c1ccc(/N=N\c2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12 12358989 TVWOWDDBXAFQDG-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB endogenous,in-man Cc1cc(C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 12509762 SJWCFWXSRDHSMI-UHFFFAOYSA-N 492.432 4.720 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 13536976 ZNBMWPYADCBZSN-CIAFOILYSA-N 459.889 4.598 10 40 JJCB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 41074391 YNYARFGKYDLSQF-KVVIXZMVSA-N 466.448 4.721 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1C 41082554 LVTWDJSXPFMREM-NOHFHRCMSA-N 461.518 4.692 10 40 JJCB Cc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 59135744 XTIRZMXDQIPCLK-PDGQHHTCSA-N 464.478 4.813 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 408812732 MIIZXTVOXIFREZ-CIAFOILYSA-N 476.916 4.902 10 40 JJCB COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br 409037080 XKAWAKCLFUADRF-WEVVVXLNSA-N 461.184 4.959 10 40 JJCB CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cccc1OC 409162043 QOKKWRUSODSISY-GZTJUZNOSA-N 462.980 4.602 10 40 JJCB CCOC(=O)[C@H]1N2C(=O)[C@@H](N=[N+]=[N-])[C@]2(c2ccccc2)SC12c1ccccc1-c1ccccc12 8383795 LGDCTGUWGJXHDU-DRLORSAXSA-N 468.538 4.963 10 40 JJCB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCCN1CCOCC1 12414306 BNHHRBRULOEXDV-RGEXLXHISA-N 493.448 4.633 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 16916198 IUVTZZNGYGVDBS-HMMYKYKNSA-N 484.599 4.794 10 40 JJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408774153 AHXRLHGIZFPAAW-IWIPYMOSSA-N 476.573 4.731 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c(C)c1 408795194 BQMQKXANWCVXIQ-MHWRWJLKSA-N 457.324 4.520 10 40 JJCB COc1cccc2cc(-c3cc(=O)oc4c(CN(C)Cc5ccccc5)c(O)ccc34)c(=O)oc12 2127678 OJQZLSUBLSTPND-UHFFFAOYSA-N 469.493 4.913 10 40 JJCB biogenic O=C(O)c1c(O)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc2ccccc12 4972351 SOENMTNLSXPXBX-GHVJWSGMSA-N 454.489 4.916 10 40 JJCB O=C1/C(=C/NNc2nc3ccccc3s2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 8430174 ZBZCKNDXKOPCSY-MDZDMXLPSA-N 460.466 4.672 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 8819535 YKBOHJWWNULVCT-AQTBWJFISA-N 474.991 4.747 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C/c4c(Cl)nn(-c5ccccc5)c4C)C(=O)N=C3S2)cc1 9280238 NYSYTPADBSXBFL-QDLOHUEYSA-N 460.950 4.810 10 40 JJCB N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12 34847819 YTVDRAIGHNYCJY-DVKULTFGSA-N 494.891 4.959 10 40 JJCB COc1ccc(N2CCN(Cn3nc(-c4cccs4)n(-c4ccccc4)c3=S)CC2)cc1 58448489 YXFWRHZYBQZCJN-UHFFFAOYSA-N 463.632 4.920 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408894328 HNWYDIXKYGRMFA-HYARGMPZSA-N 456.498 4.557 10 40 JJCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O 408956396 WMQDDXXLBRXYQN-YDZHTSKRSA-N 486.568 4.925 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1C 409141754 JYELUXGTAKXUMF-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)SC1=S 409378326 NXHZCNFKVPABSI-YVLHZVERSA-N 495.395 4.827 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 16732959 QCBFKVSZXSOKBH-HKWRFOASSA-N 494.642 4.707 10 40 JJCB CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 139632774 WWULTXLLILEUBT-CSJROMOCSA-N 481.596 4.524 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C 223651179 IHVYPIIEISDOPR-LOSJGSFVSA-N 462.619 4.587 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)C2)cc1 260905782 SHGBRNYTUXQEAZ-AKFKNWHVSA-N 483.678 4.509 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1F 408692407 LVVUWYQUWVOFPQ-WOJGMQOQSA-N 486.927 4.861 10 40 JJCB COC(=O)COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 408736452 UBWBZWBFBXGOQC-WWMYMODYSA-N 461.299 4.670 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c(C)c1 408789324 JBAIYDFRYZCIFM-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S 409172388 GREQKRRLFPKUDJ-KGENOOAVSA-N 485.540 4.669 10 40 JJCB CC(C)OC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 409186812 IEMXJYQPBDJBFE-UHFFFAOYSA-N 484.508 4.600 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 409188012 WIGCDZCAQDJFIK-HZHRSRAPSA-N 459.571 4.633 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 1106177 WVMHAENWBBLDNY-BWAHOGKJSA-N 498.579 4.796 10 40 JJCB COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2c(C)ccc2C)cc1 9224193 MFOOANMTHOXWSE-UHFFFAOYSA-N 473.495 4.840 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1 9309168 JXYHUSRHFQAFJK-BDPOZWGGSA-N 473.533 4.909 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 27020493 PJMQOOGXJFMWJI-KOEQRZSOSA-N 471.582 4.937 10 40 JJCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(c3ccco3)=NN12 33456777 XGGQEEHDQVQJOQ-OEPGTBBXSA-N 476.901 4.820 10 40 JJCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 33586441 HOFCRNYZDPMVGX-NDENLUEZSA-N 452.869 4.528 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2occ(C)c2C)cc1 104090783 VTBIFCVXKRUQCC-LRVSTDGRSA-N 451.508 4.572 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC 409107127 VEZOOBZTLHONCI-NTEUORMPSA-N 479.385 4.931 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)SC1=S)c1ccc(Cl)cc1 409339451 IEVBWESFNMBLAT-WQRHYEAKSA-N 484.942 4.844 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 409409398 ORONVGYHNHUJCT-WQRHYEAKSA-N 483.307 4.683 10 40 JJCB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 4093586 PPHIALYXFJFLDJ-RUZDIDTESA-N 461.562 4.801 10 40 JJCB aggregator CCCOc1cc(Br)c(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 8443679 VNOUGPUJEOPUKF-YVLHZVERSA-N 473.323 4.751 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13370381 AVCNTNDGCPICKA-CJLVFECKSA-N 460.515 4.647 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 13756335 NDQPSLACEYGVTM-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1ccc(O)cc1 408753183 FAKUCNULLAXBPN-YBFXNURJSA-N 463.287 4.718 10 40 JJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408997545 HBFVZIWFGJOZEE-YBFXNURJSA-N 480.868 4.765 10 40 JJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409013269 UDAFABWRZNPYDL-VVSAQIQQSA-N 450.919 4.875 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O 409206092 HOEFGMNZPQCQMZ-NVNXTCNLSA-N 481.349 4.867 10 40 JJCB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1 843627 DDOIVWUVXKAHKD-FTJBHMTQSA-N 451.530 4.565 10 40 JJCB C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 9469851 BCXUOHZTYGMJBU-UHFFFAOYSA-N 480.467 4.548 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)c2C)cc1F 9792932 MLRIIBVAUBWVLX-RUZDIDTESA-N 465.550 4.569 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 10113496 MIPVKMOJLRABLQ-MUUNZHRXSA-N 471.626 4.991 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(OC(F)(F)F)cc4)o3)C2=O)cc1 12420769 FPSXVMUIDKLXGA-LDADJPATSA-N 472.375 4.520 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4O)[C@H]3C2=O)cc1 17968480 MCTZZBJYGKWRPP-FSSWDIPSSA-N 479.330 4.514 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 27533841 AEYLYMLBTCWXDV-ZWEMGWPWSA-N 464.547 4.572 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 35326947 VNJDGPQFVIQBJV-HMAPJEAMSA-N 483.565 4.808 10 40 JJCB CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)sc(C)c1C 54360669 LIYBBWNUROIYNY-DHDCSXOGSA-N 478.592 4.521 10 40 JJCB COc1ccc(N2CCN(Cn3nc(-c4ccncc4)n(-c4ccccc4C)c3=S)CC2)cc1 58133282 FHDDIYSYBFSGML-UHFFFAOYSA-N 472.618 4.562 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422576 MYIOYHOXEHDWGE-JAIQZWGSSA-N 456.633 4.924 10 40 JJCB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 223072498 PXEHUYOAYOUPCA-HZPDHXFCSA-N 467.429 4.734 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc21 225716941 ONMZZZNIDNLLKS-KRWDZBQOSA-N 459.637 4.674 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1 260569380 PXPYRAJTKUKKOX-NEIHUHTASA-N 461.562 4.782 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 408695102 PHKKBFALWSWHLH-LICLKQGHSA-N 490.785 4.914 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1O 409045867 JDVAHGHJVUGUDR-BAQGIRSFSA-N 492.154 4.565 10 40 JJCB O=C1N(CCc2ccccc2)c2ccc(Br)cc2[C@@]12NN=C(c1ccccc1)S2 2052482 XNQKFLVXBADQOZ-QHCPKHFHSA-N 464.388 4.889 10 40 JJCB N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 2404602 QZDQAYBOSKGTQQ-BWFWVIOXSA-N 478.331 4.772 10 40 JJCB COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12 5485957 RJMSYAZGOKDNAI-UHFFFAOYSA-N 479.606 4.644 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCCC3)C2=O)cc1OC 8819952 ZCCOUEFCHHCXOE-FXBPSFAMSA-N 476.664 4.868 10 40 JJCB O=C1N=C(O)/C(=C\c2cn(CCOc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccco1 9015761 RCERAGLLOKCSRV-HYARGMPZSA-N 473.460 4.955 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1C 9308993 SGUYCVRXQSFEJU-OIFMRIKRSA-N 454.559 4.773 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15989963 UAAKSIBZAFNXAX-CCDWMCETSA-N 464.477 4.617 10 40 JJCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)cc1 33457970 IFBCOXKVLMRAHU-FOSZEWQZSA-N 479.631 4.922 10 40 JJCB O=C1C[C@H](c2ccc(-c3ccccc3)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221634 XWAJUVPTJCIRJL-OAHLLOKOSA-N 498.443 4.983 10 40 JJCB biogenic CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 100540276 REBPMQVGJFLAFX-MHWRWJLKSA-N 461.305 4.544 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 223358313 RLYJSOBOSXJONZ-UHFFFAOYSA-N 472.010 4.917 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1O 223461942 BSUKSAIAMPEQCQ-LOSJGSFVSA-N 455.587 4.762 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223692524 MDTFKFOKYAAQGK-ZCYQVOJMSA-N 462.619 4.642 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223721055 DSGOZDWNGHQSQS-LOSJGSFVSA-N 462.619 4.723 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(OCC)c3)C2=O)cc1 408874934 FLXWWIXRLONOFE-LFVJCYFKSA-N 488.515 4.880 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 408896727 HPMYEBCIYYMBFP-JLPGSUDCSA-N 474.488 4.860 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)cc1 408967493 SOAHTUNMRILDBC-LFVJCYFKSA-N 496.592 4.872 10 40 JJCB CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 409021026 WZMWWRWWDACSDL-XSFVSMFZSA-N 480.933 4.603 10 40 JJCB O=C1N=C(S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 8768910 DVUYRHITJLAVJP-GZTJUZNOSA-N 452.875 4.541 10 40 JJCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1C 10113169 DXXAZRYVOATNKD-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 16000987 HKUBMCTXJHKQJC-JIMJEQGWSA-N 467.496 4.857 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1[N+](=O)[O-] 17373784 IYTURJZLRVHXMF-SFQUDFHCSA-N 461.952 4.868 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408530099 KPXIZUOYNZOKLD-SXGWCWSVSA-N 450.925 4.715 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 408819726 RLHSJUWKBYOEDO-XYOKQWHBSA-N 499.148 4.616 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 409099824 LUVOHZRMTGAFPX-MDWZMJQESA-N 465.358 4.540 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC 409138361 AOLQVTORORPEGQ-MHWRWJLKSA-N 458.967 4.586 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3cc(C)cc(C)c3)C2=O)cc1Cl 2240362 DPXZPFMUELTKQC-STZFKDTASA-N 493.947 4.512 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccn(COc4ccc(-c5ccccc5)cc4)n3)CC2)cc1 27972026 HPCBOBYCRHJDTR-UHFFFAOYSA-N 468.557 4.558 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(O)cc1 223498241 KOGWYIIICGJJTA-RPBOFIJWSA-N 455.587 4.762 10 40 JJCB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)O)c(O)c1 408633353 MQLVJZZXUAOUMX-JAIQZWGSSA-N 471.535 4.523 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1 408875984 LYCJWXRKBSABPV-RGVLZGJSSA-N 479.851 4.645 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1O 409053834 QVKWHIUWMDQCPC-IUXPMGMMSA-N 450.379 4.873 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1 409202675 SOQIRSKCQTWKPH-WQRHYEAKSA-N 452.469 4.959 10 40 JJCB CCOc1cc(Br)cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1O 1009462 OFWYNJFWLTVXMC-KRWDZBQOSA-N 461.341 4.630 10 40 JJCB CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 1417228 XTWBJEHCSWXDOT-CAOOACKPSA-N 494.388 4.991 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2428007 GBZGRFIGVDPDQJ-NDENLUEZSA-N 482.309 4.662 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 9434803 VKBZVMJWICQYPW-LMEPTBFJSA-N 478.574 4.799 10 40 JJCB Cc1oc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)c(O)ccc2c(=O)c1-c1ccccc1 28891485 RASNBIOOQPMGJW-UHFFFAOYSA-N 470.569 4.943 10 40 JJCB CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96220935 QGENDANZXWNCFS-QGZVFWFLSA-N 494.503 4.926 10 40 JJCB biogenic Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 100502621 OZTSBQDIAYECQV-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB O=c1oc2c(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc2cc1-c1nc2ccccc2s1 100842570 FFGRSZWHMCBZIX-WMZOPIPTSA-N 497.576 4.556 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Cc2ccccc2Cl)c1 408878886 DHJKDNUNMZOEHH-PXLXIMEGSA-N 460.917 4.914 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409011261 GTLGUQRYLBEMSQ-MHWRWJLKSA-N 479.385 4.964 10 40 JJCB CC[n+]1c(C=C2C=C(C)N(CCc3ccc(S(N)(=O)=O)cc3)C(C)=C2)sc2ccccc21 3198544 HUISXLVAHLYCAA-UHFFFAOYSA-N 466.652 4.605 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1 9463794 MWGNEJVATLLGOL-PXLXIMEGSA-N 471.944 4.878 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccccc3OC)C(=O)N=C2S1 15276352 TWNRHBUPFJACEE-NYLWXCFJSA-N 464.547 4.572 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1 408818655 YGTVSZJLIGJYKR-YBFXNURJSA-N 467.884 4.562 10 40 JJCB O=C(O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)SC1=S 409098540 QOPOHEJHTQYFTA-GZTJUZNOSA-N 478.389 4.704 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@@H](C(C)=O)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O 9087555 YDBZXRIHCLXMNT-PVHODMMVSA-N 494.522 4.807 10 40 JJCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 27572589 KLLQJCHBZMNDPK-QNPCYTEQSA-N 463.559 4.937 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1C(=O)O 28296903 ATGFLGXHLYDLJD-SFQUDFHCSA-N 476.601 4.552 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccccc1Cl 106757028 GLYGUFVODDLQGY-MOSHPQCFSA-N 457.983 4.796 10 40 JJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)c1 408804417 FTGKNAJRWZMINU-GZTJUZNOSA-N 457.324 4.520 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OCC)c2)C(=O)N(c2ccccc2)C1=S 409021486 JYGQOCHRPGTYQX-LFIBNONCSA-N 489.391 4.507 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)c2C)cc1 409186865 IVUUIISFGOJZCA-BUVRLJJBSA-N 489.597 4.723 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 1742153 WLSDOYLEBMRCGH-STZFKDTASA-N 493.610 4.922 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 8816251 DJFFCDUFQWMZSM-YDZHTSKRSA-N 495.601 4.596 10 40 JJCB CCCC(=O)N1c2cc(C)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 9860931 TYZDDIQZELGNOA-UHFFFAOYSA-N 491.656 4.996 10 40 JJCB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)c1C 13042176 MTJYCRUGHUQYLZ-UHFFFAOYSA-N 454.498 4.703 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 22665188 RHCXPBXAAPOGBT-MHZLTWQESA-N 477.052 4.628 10 40 JJCB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408532092 IASNGHRXGWQGMM-ONVHILOFSA-N 490.943 4.609 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408885331 ZMAAVEKPFWUQIQ-YBFXNURJSA-N 480.879 4.733 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC)C2=O)cc1 408899288 OAILABLPWNGDEH-RGEXLXHISA-N 487.350 4.693 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1 408937068 MHGCWLPIASYWJK-XYGWBWBKSA-N 464.477 4.791 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@H]1c1ccc(N(C)C)cc1 408993924 XOCVHBIKHUEFEB-DEOSSOPVSA-N 480.634 4.579 10 40 JJCB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1F 409005974 HRRAIBQTLSVQSE-YVLHZVERSA-N 479.371 4.643 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)NC1=S 409076575 BNQIHBRGNVNZNH-PDGQHHTCSA-N 475.408 4.894 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 1277007 QTDIQHOOMAIMOT-LPXFMOJISA-N 477.991 4.690 10 40 JJCB Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)c(C)n1-c1ccc2c(c1)OCO2 9724263 NMXASJKXPABQMP-HSZRJFAPSA-N 491.525 4.693 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1c[nH]c2ccccc12 10232962 GUOBNOYZBZRIOP-STZFKDTASA-N 467.591 4.647 10 40 JJCB CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 11859251 SUSDHPZZPZIMDQ-ZEVJAHDQSA-N 497.517 4.817 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 33732250 ZUZYWZWRLNRPQK-YVLHZVERSA-N 484.295 4.942 10 40 JJCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112298482 LMZIVPILWLPFAS-UQQQWYQISA-N 470.485 4.914 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223016249 HEXVURVPXSPMLL-PKTZIBPZSA-N 471.026 4.770 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(O)cc1 223537861 DNOCADJOSOMJMZ-DQEYMECFSA-N 455.587 4.762 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC(C)C 408801201 SFBPDPWNIZXMSV-VIZOYTHASA-N 493.741 4.565 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408870529 GEEFJUVYRFPQBJ-BUVRLJJBSA-N 470.525 4.578 10 40 JJCB Cc1ccc(Cn2c(C)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 409107354 RCMAMJTYIBVKPA-FYJGNVAPSA-N 450.585 4.982 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)c2C)cc1 980537 TUSDUPSDUZRTMZ-LPYMAVHISA-N 476.533 4.863 10 40 JJCB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 2685401 UDDXPAKOXVJYIR-UHFFFAOYSA-N 454.577 4.913 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1 9309694 ZUBHEDCUBSFIQF-WOVJFNANSA-N 473.533 4.909 10 40 JJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C\c1ccc(O)c(Br)c1 9720891 DRMMQJVNXTVKGY-AUWJEWJLSA-N 454.143 5.000 10 40 JJCB COc1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3NC(=O)c3ccc(C)cc3)CC2)cc1 21361574 OFNWOLUHEAIUSH-UHFFFAOYSA-N 468.557 4.700 10 40 JJCB O=C1C(=CNCCOc2ccc(Cl)cc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 35185346 AYDLIFCGWZYBQH-UHFFFAOYSA-N 474.001 4.649 10 40 JJCB CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCC(=O)O)[C@@H]3c2ccc(N(C)C)cc2)cc1 83854258 FWVCPSHQUCTEGN-OIGMXZDISA-N 474.605 4.806 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223657100 ZAMMCYSXLXGQOA-UKILVPOCSA-N 462.619 4.642 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408740061 ICOIIWLKVONVPM-HYARGMPZSA-N 479.005 4.645 10 40 JJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)NC1=S 408780339 XNQFSNBLSZPWQQ-SFQUDFHCSA-N 480.929 4.692 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1 408809366 LBMSLNDGKPTYGN-KGENOOAVSA-N 462.889 4.594 10 40 JJCB O=C1NC(=S)S/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 408881994 NFOIXGQASVKBFV-NSIKDUERSA-N 482.293 4.547 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 408901546 YQZQQASXSLVFLH-DHDCSXOGSA-N 477.742 4.865 10 40 JJCB Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409132363 OEGZDNZXHARNKJ-HMAPJEAMSA-N 455.649 4.788 10 40 JJCB CC(C)(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 9056611 ZEGJUTFTGFGDJU-XSFVSMFZSA-N 458.470 4.609 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 9209455 LGQZSTMYMDUFGD-JOCHJYFZSA-N 468.619 4.725 10 40 JJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 13942699 RPOHJUZDHXYAKW-PQDCBLBRSA-N 488.506 4.965 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C#N 33632084 LDWGTFJXHKXTRE-MTJSOVHGSA-N 473.916 4.651 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222944164 QYVNIMIHAXRQRE-DNQXCXABSA-N 462.619 4.904 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)NC1=S 408739818 ASRRPWHYJZVXMF-SDQBBNPISA-N 486.174 4.601 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cc(C)cc(C)c1 408874032 XTPPGAKFDCZOSG-HAHDFKILSA-N 456.567 4.734 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S 409173249 OFLGCFITWKYPND-PXLXIMEGSA-N 481.577 4.838 10 40 JJCB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(Br)c2)cc1 3150644 ZSKAUDALRSQDJS-JCMHNJIXSA-N 464.363 4.925 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 12275217 ZHCDKJCRDBJHLU-ODLFYWEKSA-N 459.545 4.684 10 40 JJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O 33373220 QKKNIVQCIBWDPQ-CAOIWOLBSA-N 452.557 4.561 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 33608108 OMLURQRXMUIFJU-PXLXIMEGSA-N 485.496 4.565 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1 409104567 FVESJORQMVLXBQ-LDADJPATSA-N 464.930 4.942 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 409231350 CETBNWWGJAXSOM-CIAFOILYSA-N 499.514 4.953 10 40 JJCB Cc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 1062688 NKPKFCWKSRJYIE-UHFFFAOYSA-N 465.980 4.604 10 40 JJCB aggregator CCN1C(=O)/C(=C/c2cccc(OCCOCCOc3ccc(C)c(C)c3)c2)SC1=S 9112986 JVTPLOJDLMSOPQ-JWGURIENSA-N 457.617 4.999 10 40 JJCB CCOc1c(I)cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1OC 13371362 BUIASQDJJOWDFG-DHDCSXOGSA-N 478.282 4.688 10 40 JJCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1O 17995255 SWQASVHFACEOHY-ONTIZHBOSA-N 485.323 4.759 10 40 JJCB O=C(CN1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1)Nc1ccccc1C(F)(F)F 22788749 NWJWNRVRPHFTFX-UHFFFAOYSA-N 487.522 4.792 10 40 JJCB CCCCN1C(=O)/C(=C\c2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 27016748 NCCNPWCSGBPJRN-HMMYKYKNSA-N 478.643 4.641 10 40 JJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 34746502 BEVPCXZOTKUBAO-BBYKJTEYSA-N 454.559 4.773 10 40 JJCB CC(C)(C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 34868668 OUJDKBMXSIDMTG-ZROIWOOFSA-N 494.183 4.850 10 40 JJCB N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 41076735 PVJPSHJTGBKLEF-HUMIGVHUSA-N 467.304 4.970 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc(Br)c1O 59186056 RGJHZHZNYGMNOJ-NTUHNPAUSA-N 499.239 4.600 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]23)cc1 101481329 FOHKZZTYFWSEOG-ISJGIBHGSA-N 479.532 4.814 10 40 JJCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 103524059 BAUSIIWMFSARGA-POTDNYQPSA-N 480.564 4.853 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1Cl 107884812 XQSYELQLAAFSJH-UNOMPAQXSA-N 493.903 4.687 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OC)C2=O)cc1 409106468 MGKOEKPLJAOGGM-HYARGMPZSA-N 483.590 4.615 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1O 409340495 YBBYGIFWOHSCIW-LZYBPNLTSA-N 481.349 4.867 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 409344205 ICFMGTPUUOHVLE-GZTJUZNOSA-N 470.012 4.824 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 1004608 ZIDUUSJGPCWFTB-UDWIEESQSA-N 495.337 4.878 10 40 JJCB Cc1cc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c(C)n1-c1ccccc1 3344366 OUFORFQOCVZPNT-UHFFFAOYSA-N 480.615 4.720 10 40 JJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C\c1ccc(I)o1 9720893 QXFVDJLOFTVNOD-XFFZJAGNSA-N 475.105 4.729 10 40 JJCB CC(C)OC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)ccc1Cl 12401623 BXVGWFKEYBUUAO-CPNJWEJPSA-N 478.888 4.832 10 40 JJCB CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 12644698 XSAIQHTZYHOBAK-UHFFFAOYSA-N 477.659 4.736 10 40 JJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CCC(C)CC3)nc12 27016658 CEILSHGKDWRDPK-HMMYKYKNSA-N 482.675 4.773 10 40 JJCB COc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 41077943 ZPTMTHBGUBSFIN-KOEQRZSOSA-N 495.535 4.704 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(=O)O)c1 223538807 QVCUINMITFNXNV-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 408739823 FYANFBXJLGVGEX-WJDWOHSUSA-N 457.269 4.928 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408740987 NJSZHCSBUDRDJP-XDHOZWIPSA-N 495.304 4.834 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 409347473 MJCHLKPDDPXOPQ-UDWIEESQSA-N 456.589 4.667 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 3764433 WSWBCYLQIQAMTO-XDHOZWIPSA-N 465.512 4.709 10 40 JJCB O=C(O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)cc2)cc1 17196074 DWZCSLLHSBADOY-UYRXBGFRSA-N 476.485 4.775 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)c(Cl)c3)C(=O)N=C2S1 8495675 TVJCGZJIUOEHNT-WTZVULCFSA-N 452.923 4.897 10 40 JJCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Br)cc1 16672969 KSWPSRWCRRZVFU-GUSDSWBTSA-N 459.390 4.845 10 40 JJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 18098157 RYIRWLSHRZQQGU-PFBJBMPXSA-N 463.537 4.957 10 40 JJCB CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2cccc(OC)c2)SC1=S 33430467 CJPLGZWORUFANO-ZHZULCJRSA-N 459.589 4.773 10 40 JJCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 33731517 YAQDAOLLUCARQY-JJIBRWJFSA-N 476.577 4.566 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)cc1 101090090 HBOZCCLXYMBKFN-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 107614225 LBFGYHIEECDQMP-JAIQZWGSSA-N 481.486 4.618 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(=O)O)c1 223463195 JRJWQTVFIOJWBW-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@@H]1c1ccc(N(C)C)cc1 408987241 FHOOFXNFSTYSHE-JOCHJYFZSA-N 487.025 4.615 10 40 JJCB Cc1nc(S[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)sc1CC(N)=O 9910097 YHOWZHHNBJFUQG-CQSZACIVSA-N 479.574 4.852 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)cc1 14132901 DPTACMNSRBSHJR-PXLXIMEGSA-N 470.525 4.948 10 40 JJCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1 26532083 NIWDLKDUEOIFOW-KDWLXDBESA-N 482.675 4.711 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc2c(c1)OCO2 223465527 XTGCIMWATZNVID-CLJLJLNGSA-N 483.597 4.786 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)nc1 223504904 GVLBFOQDCOTOFB-DQEYMECFSA-N 454.603 4.760 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2)c1 408798371 DTRMOYTVKMADMK-FYJGNVAPSA-N 462.889 4.594 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c1C 409148210 PABXCEQEHYGCCE-HZHRSRAPSA-N 472.614 4.608 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2433330 CPTZPSZSLGYIKE-IGWPVBGESA-N 455.536 4.626 10 40 JJCB Cc1cc(C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(C)n1-c1ccccc1F 3355268 CRMZOBWNYIEHJZ-UHFFFAOYSA-N 495.510 4.972 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 9158922 ZPDISLSLTRZSFZ-IRFCIJBXSA-N 487.493 4.640 10 40 JJCB Cc1cccc(OCCOc2ccccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 34703923 CKDFYOYCXMGIKN-ZRSBZDGVSA-N 474.464 4.634 10 40 JJCB Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 102862061 JUCJQPXQYLYHBW-HJOGWXRNSA-N 461.949 4.766 10 40 JJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223537643 PJRWIOMBVDXYEQ-VUODPORTSA-N 451.567 4.769 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2ccccc2)c1 408803925 UVLWHEQNRHLJBP-CIAFOILYSA-N 476.916 4.902 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S 409090335 OZJTZNQTIHZPDQ-PTNGSMBKSA-N 467.890 4.648 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(C)=O 409143438 FGMTXPDGSPSNOQ-YBFXNURJSA-N 490.990 4.519 10 40 JJCB [N-]=[N+]=N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 5663428 UXZVJXHFRPKVBE-BFLUCZKCSA-N 495.539 4.512 10 40 JJCB CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819979 FQSDURFINMXVKL-CYVLTUHYSA-N 451.610 4.809 10 40 JJCB O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)c(Cl)c1 8845884 YGEPLWZNGAQGGQ-UHFFFAOYSA-N 472.910 4.914 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 9190860 CPFDKPKKXBMADA-RHTHQAGFSA-N 490.654 4.565 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)c1C 102677213 OREWNDKABKVJMN-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCC 110422781 PEIAHVOSXPKCDY-SRZZPIQSSA-N 486.659 4.933 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1 208448484 RVJPKVSPQHKJCJ-KGENOOAVSA-N 461.587 4.548 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223721840 KFNRCPQRZCUUAK-FTJBHMTQSA-N 476.646 4.977 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)o1 409343768 GIQHVTWXQYOGQY-YVLHZVERSA-N 470.553 4.561 10 40 JJCB COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(Cl)cc2)cc1 1278455 BHHXLUREKQZIRH-UHFFFAOYSA-N 467.934 4.983 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1Cl 13748511 BBDLLRHHZMAAJF-HACRSSKKSA-N 495.992 4.930 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)c(Cl)c2)cc1 20494971 OBZZGBOBULHCMP-UHFFFAOYSA-N 484.021 4.979 10 40 JJCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(Br)o3)C2=O)cc1 59104683 NDDWUSMIOYKBEM-KPKJPENVSA-N 468.101 4.874 10 40 JJCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1C 101481555 YZBWQPDPHWSKLN-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223016188 HEXVURVPXSPMLL-GOTSBHOMSA-N 471.026 4.770 10 40 JJCB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956645 PJUQBKYMWQYJFH-UHFFFAOYSA-N 478.588 4.963 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C)c1 408797597 GSWIFRINLRIPMD-HYARGMPZSA-N 456.498 4.557 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c(C)c1 409147292 VPESIGYTBHQMNU-FYJGNVAPSA-N 487.581 4.549 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 8819536 OUNHBATXLQGWAC-PDGQHHTCSA-N 474.991 4.747 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 9434748 JSQSZMRSIJZOIR-QJOMJCCJSA-N 486.524 4.518 10 40 JJCB Cc1cc(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c(C)n1-c1ccc2c(c1)OCCO2 9612600 LBMVWSVUOYXTKY-UHFFFAOYSA-N 461.301 4.607 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 13038093 CFBJLEZHCGUBSO-UHFFFAOYSA-N 482.577 4.890 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3Cl)C2=O)cc1Cl 13689520 NTGPWEZBFVNCGF-BOPFTXTBSA-N 470.312 4.518 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1 169616518 UDSSIJUPXWYCDQ-MOXQZVSFSA-N 456.498 4.788 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408774178 BSAWYAIFVNBCHS-ONUIUJJFSA-N 496.563 4.885 10 40 JJCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 409144695 GBNGPUOOQVVMEJ-IDUWFGFVSA-N 481.437 4.824 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409228950 HOLOYJNUWAJXNF-VGOFMYFVSA-N 484.883 4.597 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 3864861 CHHVAXOEXIITSU-CYVLTUHYSA-N 454.573 4.785 10 40 JJCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OC(=O)c2ccccc2Cl)cc1 9246924 NVXHNLLBCDQUQR-UHFFFAOYSA-N 454.979 4.974 10 40 JJCB CN1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S 13659586 VTKNOGVHHDDXGD-LGMDPLHJSA-N 451.573 4.615 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCc2cccs2)cc1 20288868 RONZMRYTGKDJER-JWGURIENSA-N 462.531 4.522 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21)N1CCCCCC1 59087197 QODFENXHVRCMHA-CJLVFECKSA-N 476.577 4.679 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccc2c(c1)OCO2 59104915 DOTRMELRCXHJLU-GXDHUFHOSA-N 474.454 4.543 10 40 JJCB COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1Br 59198501 GWMGFJULJZRHHY-MDWZMJQESA-N 496.180 4.892 10 40 JJCB CCOC(=O)c1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2C)cc1 100510776 PLOJXHXITAAQFP-RMBMZXQHSA-N 463.519 4.870 10 40 JJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)ccc21 408535885 UJTUXOWFXZVUCP-AQTBWJFISA-N 496.409 4.941 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC 408804518 AQIIRIWVZBHKSD-NTEUORMPSA-N 463.317 4.766 10 40 JJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408894428 CKLBCWCXFXIJRD-RGZVIEDOSA-N 463.317 4.846 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 409241213 SCWCONNBFFVOKH-XDHOZWIPSA-N 464.930 4.942 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 409343239 DDOGZZLJAYDCIP-WOJGMQOQSA-N 475.492 4.688 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409354082 XTFQYIUJCRXGGD-MTJSOVHGSA-N 492.509 4.637 10 40 JJCB COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 8763505 MHPHXJSCBZGODN-MLPWYGTASA-N 471.600 4.533 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1 9679164 CUBZUHVRFFZSIJ-JWGURIENSA-N 462.527 4.659 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C1=O 9907492 FQBWZPUZWRFWLW-XDHOZWIPSA-N 491.931 4.729 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 16805611 VUKBKCKBMCIYSW-YZYPPFLQSA-N 464.616 4.615 10 40 JJCB CCCOc1ccc(/C=C2/SC(=S)N(CN3CCN(c4cccc(C)c4)CC3)C2=O)cc1 20064910 DNQOOOWPBFAINT-HAVVHWLPSA-N 467.660 4.765 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)c1 32099491 BOFVHGGTDCXQIH-WQRHYEAKSA-N 457.269 4.501 10 40 JJCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 109037216 KBANOOLWKSHTJR-FYJGNVAPSA-N 493.357 4.807 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223693464 CYNCJZSEHHFCAR-DNQXCXABSA-N 483.037 4.987 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1 408934745 FYMZXYBBLJWWQC-STZFKDTASA-N 462.889 4.594 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409233129 QRMFEEOCFIVKPQ-GZTJUZNOSA-N 487.415 4.705 10 40 JJCB CCCCN1C(=O)/C(=C/Nc2ccc(Br)cc2)C(=O)N(CCc2ccccc2)C1=O 8431402 BCYYQTDMBLODMF-SILNSSARSA-N 470.367 4.579 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 17993770 WUODJBGZKIXOMF-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1 45921635 OHUZPHSNECQKKL-UHFFFAOYSA-N 473.646 4.761 10 40 JJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 223311050 UOABBPLISJGJQQ-GVXSCFBNSA-N 462.619 4.649 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 223541193 BWACSDAARKAJRP-CLJLJLNGSA-N 483.597 4.786 10 40 JJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2c(c1)OCO2 8820505 JJLKJNGPSSHVHH-KNFDGHTESA-N 452.557 4.592 10 40 JJCB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)c(C)c1 10112176 OJZHCSHMNPYSSQ-UHFFFAOYSA-N 477.630 4.943 10 40 JJCB CCCCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21 32910723 UQSSFJRTEYGQPD-UHFFFAOYSA-N 452.624 4.676 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 34737300 WENCNILLDZEKGC-ZHZULCJRSA-N 494.034 4.962 10 40 JJCB O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)cc1Cl 59135406 FYUIZXHIXQDNPL-MHWRWJLKSA-N 454.797 4.944 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(O)cc1 223462193 WTVSIEWVSPVMDX-LOSJGSFVSA-N 455.587 4.762 10 40 JJCB O=S(=O)(c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 408862236 XSTMLVPNVVVKEI-WWMYMODYSA-N 465.402 4.841 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 408933794 BJQRFSCAHSLPOZ-RGVLZGJSSA-N 483.307 4.944 10 40 JJCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 409235314 ZOQFOLMGUBZQNL-NDENLUEZSA-N 489.391 4.531 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2408345 WCKATCDOHWHBKL-JPVKTXQWSA-N 481.599 4.804 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2700776 LQJRWSJCMXLKCM-OQLLNIDSSA-N 452.897 4.574 10 40 JJCB CC(=O)N1[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CS[C@@H]1c1ccccc1O 14009685 SZHBCTCNBFJFJB-SHQCIBLASA-N 460.599 4.626 10 40 JJCB COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)n(C)c2c1 222556689 KQUJIKPFLRABMF-UHFFFAOYSA-N 450.970 4.923 10 40 JJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C 222881191 QXXNFAFIZGCXQT-PKTZIBPZSA-N 465.579 4.788 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408775123 ZCSHGXQZNKAHEA-NTUHNPAUSA-N 484.133 4.821 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C2=O)cc1 409188414 ZALWGDOGBKUZKD-LFVJCYFKSA-N 473.529 4.558 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1 409244769 IKJMLCCOJOQRSD-BUVRLJJBSA-N 457.530 4.672 10 40 JJCB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)C2=O)cc1 3302916 FJJUEYODSSCAOU-AREMUKBSSA-N 481.499 4.654 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1 13801688 XVBVSRMIWGWZGX-UYRXBGFRSA-N 480.929 4.608 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C(=O)N=C2S1 27549633 JLAVKFHRJVTAIC-JINVPOKMSA-N 478.574 4.799 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 100207972 RMGLEOFAUREJSY-UNOMPAQXSA-N 472.335 4.734 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC 408813325 QCYSPLMLUKPSAM-OVCLIPMQSA-N 463.317 4.766 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408876866 QTADATKQUCRICR-MOSHPQCFSA-N 493.928 4.659 10 40 JJCB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)cc1 408913594 MHVSYKDCXDABLB-YDZHTSKRSA-N 453.473 4.804 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1 409095185 HKPDAGMLIRJRBV-HYARGMPZSA-N 469.607 4.928 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OCC 409343472 GYFGBYUOAGSENA-XNTDXEJSSA-N 469.009 4.745 10 40 JJCB COc1ccc(CN2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)cc1 6645110 HCVQVQWKSKJUSO-CXUHLZMHSA-N 466.378 4.573 10 40 JJCB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1 8719937 RYTXMOLYJOEPKI-UHFFFAOYSA-N 492.626 4.643 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(F)c1 12223361 ZDLNXHKNEXSGQO-YBEGLDIGSA-N 465.369 4.818 10 40 JJCB O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 13942198 OZKNHFKFJCKRNY-RGEXLXHISA-N 498.563 4.768 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 225823915 MLAFFBLBDFKSRR-UHFFFAOYSA-N 479.646 4.737 10 40 JJCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2cccc3ccccc23)N=C1C 408530128 ITHUZDCQHUWKRF-CYVLTUHYSA-N 454.534 4.986 10 40 JJCB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408540807 WASJVTDPTBZPGK-CPNJWEJPSA-N 456.926 4.974 10 40 JJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C 408804869 BWDCPYVPOSZKTK-LPYMAVHISA-N 476.916 4.908 10 40 JJCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc(C)c1Br 409198033 VCJXKECPRNSBOT-NDENLUEZSA-N 484.394 4.878 10 40 JJCB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)C2=O)cc1 3302914 FJJUEYODSSCAOU-SANMLTNESA-N 481.499 4.654 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1C 13895311 IFKNPMIXOPDQSS-IKQNTSMISA-N 478.574 4.881 10 40 JJCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c([N+](=O)[O-])c1 222835964 WNQCXAPBSBCVAQ-PKTZIBPZSA-N 465.579 4.787 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 223348447 LWYJJYVAXCLAEA-RPWUZVMVSA-N 472.570 4.953 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 223518921 SFHYYYMCUSSXDA-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260801567 CKELZOJTVFDDDT-ROUUACIJSA-N 473.664 4.749 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 1313716 IDBSBQDPYUOEJN-UBFVSLLYSA-N 464.477 4.617 10 40 JJCB CCCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 6142032 RMIKWGWBLWYHJM-CYXNTTPDSA-N 471.557 4.593 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 13616187 LTNNXYFKECKVFF-UDWIEESQSA-N 480.879 4.733 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 16694908 VGFVLUHLLIEBFX-VHWUNXFSSA-N 476.532 4.564 10 40 JJCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCc3ccccc32)cc1 16914852 FDMNWYCNJDXRAN-MUUNZHRXSA-N 475.658 4.714 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 100502617 OZTSBQDIAYECQV-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C1=O 100901411 HSDWLWOJDSTNLY-FSSWDIPSSA-N 479.330 4.514 10 40 JJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2Br)c1 108922704 OCBCLGCKLNRFOX-YBFXNURJSA-N 495.329 4.592 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=O)N(c4ccccc4)C3=O)c2C)cc1 409011295 FYQPCGCATMYNAW-BWAHOGKJSA-N 487.556 4.518 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409211648 NLXPWGJKPSUQFT-ZVHZXABRSA-N 474.536 4.888 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C(=O)NC2=S)cc1Cl 409241144 JABYGJGWKGJBSD-WOJGMQOQSA-N 480.929 4.746 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 409331282 NQNDRZMMAVIQRO-CNHKJKLMSA-N 460.939 4.768 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409339497 JCYFIQZDWYDSET-MOSHPQCFSA-N 456.589 4.632 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1OC(C)C 8443760 HAWSHHQVEYIKEZ-MFOYZWKCSA-N 473.323 4.749 10 40 JJCB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 8738491 VKECTPIVOZKEOF-PDGQHHTCSA-N 470.710 4.764 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 9191835 VJHWKISBNUOVFS-MXRTVKJZSA-N 470.558 4.555 10 40 JJCB CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1)C1CC1 9672666 FHGLWZHEUSWSAC-UHFFFAOYSA-N 484.603 4.555 10 40 JJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccccc1F 13025071 RMLJAAAJXNBYLY-AREMUKBSSA-N 491.563 4.702 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 14406696 QUKOCEAPQMEALA-QNGOZBTKSA-N 451.519 4.760 10 40 JJCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(I)cc1 58865730 GWTXNXFQJDVBDW-UHFFFAOYSA-N 491.325 4.843 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 59248003 QPLDEEYUWHNPLU-LDADJPATSA-N 486.778 4.725 10 40 JJCB O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96117528 NSNZLNMTBKUXCX-OAHLLOKOSA-N 466.392 4.914 10 40 JJCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cccc1OC 409075161 VLYOVAWUMIXFRP-HKJJFUAXSA-N 458.967 4.666 10 40 JJCB O=C(O)Cc1c(-c2ccc3c(c2)CCO3)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12 1547138579 CULXQNUAXIPHON-UHFFFAOYSA-N 470.433 4.846 10 40 JJCB biogenic CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 929900 KWKKXYHXLZFNOR-OAQYLSRUSA-N 465.575 4.637 10 40 JJCB Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1 3318085 LKFWNZGPJUCRRZ-UHFFFAOYSA-N 498.366 4.996 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1 8914368 FWVHDBGKQCHFGK-FYJGNVAPSA-N 461.449 4.527 10 40 JJCB CCCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 8997476 DEUDDIUSIOUKHE-OQKWZONESA-N 466.563 4.566 10 40 JJCB CCCCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 9137175 XKZWAGUBFZEZSU-RDAAMTITSA-N 484.691 4.958 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 9310901 KYDIALMWTSAEFZ-WQRHYEAKSA-N 464.861 4.581 10 40 JJCB CCc1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 13688147 DVPMGHGYKRXBQD-UQQQWYQISA-N 497.551 4.928 10 40 JJCB Cc1oc2c(CN3CCN(C(=O)N4CCCCC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl 26248597 HYKXZOBZBLWLHY-UHFFFAOYSA-N 496.007 4.851 10 40 JJCB O=C1N=C(O)/C(=C\c2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 59198157 IAAZSFIIBHBWSY-NTEUORMPSA-N 450.086 4.718 10 40 JJCB CCc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccccc1 223017973 PFOJEPDQPRTAFG-UHFFFAOYSA-N 479.646 4.607 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(C(=O)O)cc1 223499630 MWLOXQQGBMJEPE-DQEYMECFSA-N 483.597 4.755 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 408801747 BKACURYCCUKZEO-RGVLZGJSSA-N 492.915 4.608 10 40 JJCB COc1cccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1 409372843 RKECKZZHSPLMCP-OVCLIPMQSA-N 454.360 4.940 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4cccs4)n[nH]3)c2C)cc1 9349165 XLOKFGZZVYSRGE-UHFFFAOYSA-N 452.561 4.702 10 40 JJCB CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 18181063 MNVNKWBDLWRIBB-TZRRMPRUSA-N 483.495 4.644 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc2ccccc12 35153406 ITEKWWGJZJNJCN-UCQKPKSFSA-N 495.491 4.797 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 41082634 IJJPDFTXARPWMK-JLZYVWBQSA-N 461.518 4.610 10 40 JJCB CCc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O 101481869 YTKROFSERJIPEH-DNVJHFABSA-N 485.923 4.598 10 40 JJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 225229992 BTTPXTSCJMKFDR-RRPNLBNLSA-N 497.624 4.943 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1F 408877066 PGDZIJCOLHCDPH-ZHZULCJRSA-N 450.922 4.901 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(O)c1 408934570 FCHFZSVFGGZFCX-JAIQZWGSSA-N 483.307 4.944 10 40 JJCB COc1ccccc1OCCn1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21 9293215 UUKXWGQBNUBANA-YJFMCDHMSA-N 458.543 4.896 10 40 JJCB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)o2)cc1C 12640261 ZJLDSPDSLPBLIB-QHCPKHFHSA-N 480.634 4.719 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 16000403 QCVXZSKFQOKCRS-RBZQAINGSA-N 454.913 4.757 10 40 JJCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)o2)c1 17197776 JIENTYPPRFCUSK-WJDWOHSUSA-N 452.875 4.970 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 18180868 YZBWQPDPHWSKLN-XPWALMASSA-N 485.923 4.652 10 40 JJCB CCCCc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(OC)cc3)CC2)cc1 33292912 BISPUVLRHUVXAK-UHFFFAOYSA-N 491.661 4.885 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 408847666 QYPFBKYDHWYFBW-LDADJPATSA-N 486.778 4.725 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 408960665 NNPBTMUGFOAJSR-NDENLUEZSA-N 455.967 4.924 10 40 JJCB CCOC(=O)c1oc2c(CN3CCCC[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1OC 3653080 AHAMJFDXCYCFOQ-MRXNPFEDSA-N 451.519 4.725 10 40 JJCB biogenic O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 9590613 DMFIZJDIPYRBAQ-HHHXNRCGSA-N 486.593 4.849 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)cc(Cl)c1O 13915498 CHRKTNVPEOGITB-OVCLIPMQSA-N 482.705 4.855 10 40 JJCB O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 82087224 QTXWRLUAQRJRRW-UNOMPAQXSA-N 493.810 4.984 10 40 JJCB CCOc1ccccc1/N=N/[C@H]1C(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)N=C1C 100525403 MMUQGXVOCDZLPM-FYTMPNSFSA-N 450.480 4.992 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12 113833798 XDPPEJJGBNOCPK-LFVJCYFKSA-N 450.494 4.889 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1Cl 223580333 IJOMXWSJKIOENG-SFTDATJTSA-N 461.418 4.761 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc(Cl)c1 408871295 YORCQIHDWVVMRO-PDGQHHTCSA-N 480.879 4.733 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1ccccc1F 408876765 NNBWAAAVULTIHF-RGVLZGJSSA-N 494.906 4.841 10 40 JJCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S 1281922 DJRPJSJRILXYBN-LSCVHKIXSA-N 498.409 4.955 10 40 JJCB COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2)SC1=S 2682722 OAOFAELYVHTVAS-AEWULRIBSA-N 453.585 4.852 10 40 JJCB CC(C)Cn1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2cc(Cl)ccc2c1=O 3440053 OBDCCJMCFLOXGU-UHFFFAOYSA-N 458.923 4.516 10 40 JJCB CN(c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 10113612 UZUFEZKARXHDKL-UHFFFAOYSA-N 484.021 4.695 10 40 JJCB CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 12032287 ZWLJICFFQRRKDS-YKBBIGDRSA-N 467.454 4.832 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 16249325 RSLMKFMSSGPRNK-DEDYPNTBSA-N 450.340 4.970 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Br 223617269 NQFHDYGPCYQOIU-FGZHOGPDSA-N 485.451 4.607 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223717122 WFWKBNJAQYENGO-BJKOFHAPSA-N 499.036 4.774 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2cccc(C)c2)c1 408805001 IIVJAUGRVRIPPB-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc2c(c1)OCO2 409352767 YQVLUEIHMCWOMR-VXLYETTFSA-N 452.469 4.989 10 40 JJCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 13075868 SZFCQBDGJGFGEX-WPBGYSLVSA-N 466.924 4.819 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc1 22665662 LVSWKANLARRHBV-VWLOTQADSA-N 499.005 4.978 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1[N+](=O)[O-] 409118851 QFZDEIRXUGIQHR-LFIBNONCSA-N 481.917 4.956 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c(Cl)c1 409145944 PEBZUYAILJDPGJ-NVNXTCNLSA-N 468.343 4.756 10 40 JJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 409221099 KVOJTDKMWSWUKY-CPNJWEJPSA-N 455.461 4.636 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F 409403749 BDSLUMGEIKSGSK-WQRHYEAKSA-N 497.320 4.637 10 40 JJCB Cc1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2211748 YHFWHRNYVXIROR-JLPGSUDCSA-N 483.524 4.674 10 40 JJCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 20289026 DZCPNXIFSWZURO-KQWNVCNZSA-N 459.477 4.758 10 40 JJCB CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 36617157 GKTPFMIKAAEANJ-LDADJPATSA-N 487.350 4.926 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 260838969 FXXMPLCHZXDHHO-NZQKXSOJSA-N 485.694 4.963 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 408800050 JRRGVAOBGPOHHD-OQLLNIDSSA-N 463.715 4.556 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408898959 NKTCJJXBKZOKKU-LFIBNONCSA-N 476.758 4.615 10 40 JJCB COc1ccc2c3c(n(C[C@H](c4ccccc4)N(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604404556 PNJURNUYEIAFLY-OAQYLSRUSA-N 454.526 4.533 10 40 JJCB biogenic CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCc3ccccc3C2)cc1 16914432 IGZYAQAHTIXAGF-OAQYLSRUSA-N 468.395 4.638 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1 408810059 IBWQFWCRHHSGGT-BUVRLJJBSA-N 470.525 4.811 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408885111 XSZDCSSDEBBULU-UNOMPAQXSA-N 493.928 4.659 10 40 JJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 408966441 OMDWRXPRNBBRJZ-CPNJWEJPSA-N 464.319 4.523 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)NC1=S 409172196 CUXZALVEBIOGSD-GHRIWEEISA-N 465.962 4.587 10 40 JJCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C(C)C 409244384 BUCQSZFBYMJBRE-VCHYOVAHSA-N 462.493 4.977 10 40 JJCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 35080210 JYVZCCZUKIEYAI-HAHDFKILSA-N 484.943 4.703 10 40 JJCB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1N1CCCC1=O 44839115 XRVMEDGNNCVREJ-UHFFFAOYSA-N 484.961 4.507 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223619666 UMBGDCJGPCAWSC-UIOOFZCWSA-N 477.678 4.690 10 40 JJCB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 408994622 GUQLBNXCAJOHSI-HZHRSRAPSA-N 451.551 4.829 10 40 JJCB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(C)cc1 409005021 CUXCCJMNPMDKFN-WQRHYEAKSA-N 475.408 4.813 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC 409040165 SKYGUIAYMITVLT-MDWZMJQESA-N 498.404 4.529 10 40 JJCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409100621 QUFQHJZHAIZDQU-WASCAKKMSA-N 490.581 4.866 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 409186778 HSIDQPPEMXLJIW-BUVRLJJBSA-N 473.598 4.941 10 40 JJCB C[C@@H]1S[C@H](c2ccc(N(C)C)cc2)N(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1=O 1084173 MPLWESDNAKRVML-PRWKNARSSA-N 488.824 4.786 10 40 JJCB CCOC(=O)C1=NN(c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(Cl)cc1 8437993 BKGORCCDCOVVIX-OAQYLSRUSA-N 458.901 4.681 10 40 JJCB COc1cc2c(cc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl)oc1ccccc12 11619394 LAHQKUJSPJGZDC-UHFFFAOYSA-N 451.910 4.757 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 22008554 UUHQMTCSQLHGHJ-UHFFFAOYSA-N 481.593 4.889 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 58884058 UXGJGZHOANRXPK-NDENLUEZSA-N 451.519 4.713 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 59594406 FJEAQVDKUVEUQK-HYARGMPZSA-N 497.576 4.538 10 40 JJCB COc1ccccc1OCCn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21 83318726 UFQGPQYKGOQUDV-RCCKNPSSSA-N 485.496 4.824 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 106725264 DCWDSPQXAHYKDT-HAHDFKILSA-N 475.526 4.821 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 257279221 OFOVWHLQSMBCAZ-UHFFFAOYSA-N 467.772 4.629 10 40 JJCB O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)NCc1ccccc1 408573771 KJZYNJCAPBMGAW-HAHDFKILSA-N 474.607 4.783 10 40 JJCB CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 408600925 HGYMKJHIYPNWER-RGVLZGJSSA-N 456.633 4.924 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)c1 408776031 MMPZGILEOUBMER-ZVHZXABRSA-N 494.507 4.881 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)cc1 408874565 BVVYUHZEVUXXPX-RCCKNPSSSA-N 491.341 4.715 10 40 JJCB CCCN1C(=O)/C(=C\c2cccc(OC)c2O[C@@H](C)CC)C(=O)N(c2ccccc2)C1=S 409017761 HCHSNTKIDZFDDS-BJMRFWQKSA-N 452.576 4.826 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)SC1=S 409148257 XXMABNSRFZEFBX-JCMHNJIXSA-N 468.600 4.577 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 977499 GSGVRKDVFKMHGR-BKUYFWCQSA-N 494.414 4.996 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1 1313591 PVCKYUUJQWHAFK-FPPDEWAKSA-N 456.915 4.685 10 40 JJCB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1 2639234 APBXJKZUYAAVJS-UHFFFAOYSA-N 458.590 4.586 10 40 JJCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 9469323 SMMAQKWVUGDREQ-UHFFFAOYSA-N 467.875 4.814 10 40 JJCB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 12273895 QPOSZONLUUXWCZ-CRVGVPJFSA-N 466.584 4.650 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 33247976 MGCRTLFQHUDWPS-LDADJPATSA-N 481.262 4.655 10 40 JJCB Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c(C)c1 35238990 DWYQNAPKWFYNOM-KBUZEUCASA-N 488.491 4.943 10 40 JJCB CCOc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 100525410 HYVASJZOZSRMLK-SMIQVMJNSA-N 450.480 4.992 10 40 JJCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc23)C(=O)N(C)C1=O 113833768 DYIJIGFKUBDJPM-UHFFFAOYSA-N 479.330 4.615 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(C(=O)O)cc1 223499511 MWLOXQQGBMJEPE-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408526646 BWVVORBVEYTWQL-SSZFMOIBSA-N 499.402 4.503 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC(C)C 408800634 OCBSIXKFWQWLDI-OVCLIPMQSA-N 493.741 4.565 10 40 JJCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 408803499 PTUIQVZNZTZKSD-LFVJCYFKSA-N 486.524 4.729 10 40 JJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 408859438 UIHVIMCBSIVMTD-LICLKQGHSA-N 487.350 4.530 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1 408871030 VDBSGMRSYNCCDH-BUVRLJJBSA-N 470.525 4.665 10 40 JJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408995959 CEBIWBAUTKPAPZ-YBFXNURJSA-N 480.868 4.765 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 14011460 VMPAOYKJFIBXFS-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB O=C(NC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1)c1ccc(F)cc1 26649273 YIGULHWPRDNPRH-UHFFFAOYSA-N 457.343 4.841 10 40 JJCB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3O)C2=O)cc1 102731760 ALABFLUHXVUNGN-CCDWMCETSA-N 458.514 4.622 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208193747 DHBWRIUYSQOSBM-YIRPMMGJSA-N 463.603 4.639 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408692530 ONDPYUSBIFHWQH-WOJGMQOQSA-N 459.329 4.977 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c1 409012880 LHTJUBXBTQVNGK-WQRHYEAKSA-N 480.929 4.746 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409070499 YPKNYCQRTUZXLV-NTEUORMPSA-N 464.349 4.564 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)N1CCCCCC1 409143118 NCJZQQMIWZNPFF-UCQKPKSFSA-N 490.654 4.840 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 2057487 OUXWTWPSTPEDQR-NVMNQCDNSA-N 476.360 4.704 10 40 JJCB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(N(C)C)c(Br)c4)C(=O)N=C3S2)c1 33457604 HJUHAOQPSBESMP-MEOLDJOHSA-N 498.406 4.522 10 40 JJCB Cc1ccccc1-c1noc(-c2ccc(N3CCN(c4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)n1 72242786 JJOKNVATQZUOEJ-UHFFFAOYSA-N 485.500 4.676 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 100553087 KVOFLQAVZKNDBL-PCCBWWKXSA-N 492.314 4.689 10 40 JJCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112298765 OSFKAPIOVWKCEX-ODLFYWEKSA-N 463.277 4.553 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 208196470 OKUYGMBEWFIBGU-HIPSJFSSSA-N 453.995 4.893 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N3CCCC3)c12 409144740 GIOAIRNMWPWWEV-BKUYFWCQSA-N 479.627 4.821 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1O 409367737 JYEVKTJYZFSZKQ-VIZOYTHASA-N 470.359 4.646 10 40 JJCB COc1ccc(OCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)cc1 2335721 UARFNWNBJQDIFW-HZHRSRAPSA-N 485.496 4.824 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 9762117 PIUDPZLZTRXBPD-LMEPTBFJSA-N 478.574 4.799 10 40 JJCB CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl 13810514 MEZMZMVPNZEBJX-MOSHPQCFSA-N 464.905 4.855 10 40 JJCB CN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)c1ccccc1 15906218 LZINNKGCJLMOCZ-NBVRZTHBSA-N 462.543 4.932 10 40 JJCB CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 16687797 YTCUEIZCPOUVTI-XSFVSMFZSA-N 456.454 4.948 10 40 JJCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 16790605 BHCKKLUFMXTRCU-CPNJWEJPSA-N 472.544 4.824 10 40 JJCB CCc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1 36612882 WTFHAKGDECHOOD-JLPGSUDCSA-N 483.524 4.771 10 40 JJCB COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])cc1 72099820 ZTAXYCGZXSYIMV-RFNQJFSXSA-N 491.544 4.641 10 40 JJCB in-vitro Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 223348389 LWYJJYVAXCLAEA-DNQXCXABSA-N 472.570 4.953 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 408756638 ISVDSPCRQDYKDQ-MTJSOVHGSA-N 480.322 4.966 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1 409014128 OZSFTXYRZZPEOY-DEDYPNTBSA-N 480.387 4.688 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409242250 WHQKCXYEDLNPIR-XDHOZWIPSA-N 489.519 4.536 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2408347 WCKATCDOHWHBKL-CCNLRRDASA-N 481.599 4.804 10 40 JJCB COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 9030111 DHQRUUABXUKXLE-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1)C1CC1 9207667 LLBWRJCHDOQYKB-UHFFFAOYSA-N 498.630 4.597 10 40 JJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 9884770 KLESTBLDEYRJTJ-NGWPFTMJSA-N 478.573 4.571 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC 13400184 OGVQBZRPEMKUBQ-PDGQHHTCSA-N 493.006 4.596 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 13776754 ZPDISLSLTRZSFZ-SBHAEUEKSA-N 487.493 4.640 10 40 JJCB CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 19202142 YFWRWHOGQSDFEI-XSFVSMFZSA-N 484.599 4.701 10 40 JJCB CC(C)CN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 26779654 SHGKQQCAUKGBFJ-GZTJUZNOSA-N 471.991 4.997 10 40 JJCB CCOC(=O)c1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2C)cc1 100510778 PLOJXHXITAAQFP-QTJUSOIVSA-N 463.519 4.870 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223543783 MTKHMNMHRXNFTQ-RPBOFIJWSA-N 454.603 4.760 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC 408775442 QBBNSDYZUOEEML-LICLKQGHSA-N 487.350 4.530 10 40 JJCB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O 408876886 OPVAOKQOQQUGGI-UHFFFAOYSA-N 452.535 4.795 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(=O)O 409345995 MZLDTTBXYDVIHI-NDENLUEZSA-N 451.525 4.718 10 40 JJCB CCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2200992 FEYIOMIHTOZHBG-ATVHPVEESA-N 453.614 4.765 10 40 JJCB CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCCOc2ccc(Cl)cc2)SC1=S 2843828 ZEWILKWLEOTJHV-PDGQHHTCSA-N 464.952 4.927 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 9209456 LGQZSTMYMDUFGD-QFIPXVFZSA-N 468.619 4.725 10 40 JJCB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 17270289 JZWBBBSOQQOFNH-UHFFFAOYSA-N 490.581 4.525 10 40 JJCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 21124143 KAZSLTHFHSUZDP-UHFFFAOYSA-N 456.498 4.558 10 40 JJCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)N1CCN(C)CC1)c(O)c1ccccc12 22810511 HELOJCCLWWZENT-XMMPIXPASA-N 459.546 4.509 10 40 JJCB Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)C(=O)N(c3ccc(C)cc3)C2=S)cc1 59484941 AEZXTLOHLLPLNL-UHFFFAOYSA-N 456.523 4.780 10 40 JJCB CC(C)(C)c1ccc(OCCOc2cccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)cc1 95470855 DJJVPDISBHOBMO-ZHZULCJRSA-N 471.600 4.728 10 40 JJCB CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)sc2c1CCC2 101144155 BUGUENGYFITOOU-WJDWOHSUSA-N 474.380 4.895 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622391 NUWAXTWSKKSKSG-PKTZIBPZSA-N 471.026 4.506 10 40 JJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 408813862 DUQVPODSFDFNRE-LDADJPATSA-N 486.778 4.725 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)c1C 408853105 PTJLCWXONWIUHR-CPNJWEJPSA-N 464.319 4.523 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1F 408880242 GUBPVAOCKOYJTQ-AQTBWJFISA-N 452.844 4.875 10 40 JJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408894427 CKLBCWCXFXIJRD-GFQQVXNGSA-N 463.317 4.846 10 40 JJCB COc1ccc(N2CCN(C(=O)NC3(C(F)(F)F)Oc4cc(Cl)c(Cl)cc4O3)CC2)cc1 2725498 QEJZAJACWPNJNS-UHFFFAOYSA-N 492.281 4.521 10 40 JJCB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1-c1ccc2c(c1)OCCO2 8710660 TZSWEKLODAQKSP-UHFFFAOYSA-N 474.586 4.560 10 40 JJCB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1C 9791738 MZWMWPKTPUNPPF-UHFFFAOYSA-N 476.558 4.602 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc(I)c1O 12411354 GLOQNNFAOYOKCO-VIZOYTHASA-N 482.705 4.855 10 40 JJCB COc1cccc([C@@H]2CC(c3ccccc3O)=NC3(CCN(Cc4ccccc4)CC3)N2)c1O 32955223 RDQCPRYZNDFNKP-DEOSSOPVSA-N 457.574 4.622 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc2ccccc12 33551737 AIQVTEGRTOHAKR-KQWNVCNZSA-N 465.465 4.788 10 40 JJCB O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115908 MAUAIVCXWVZTEQ-QGZVFWFLSA-N 454.434 4.740 10 40 JJCB biogenic COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1 223489471 KWWOCJNMLSONPE-HYARGMPZSA-N 475.614 4.937 10 40 JJCB CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408577587 TWSBEZNMCPMULB-MOSHPQCFSA-N 456.589 4.712 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408800432 PIHAYTMEVZHOES-RVDMUPIBSA-N 477.742 4.866 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408900170 TWMDYIJMRBINLG-QGOAFFKASA-N 450.853 4.725 10 40 JJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409021134 YGEHGQBSNQTVDY-XKYMITNMSA-N 477.380 4.845 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NC3CCCCC3)c12 409130152 ILEHXMBZRLREAX-MOSHPQCFSA-N 455.649 4.874 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 6600627 IHMCMYFBPREEGS-KGENOOAVSA-N 476.916 4.984 10 40 JJCB CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 9730678 ZOJLSRUPQQAXNZ-RQUXIJKASA-N 472.530 4.873 10 40 JJCB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cc2)n1 13141755 DYTINTWTEBVGOR-UHFFFAOYSA-N 471.513 4.665 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835804 XECRWAUAXUYUIO-GOTSBHOMSA-N 465.579 4.787 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(O)cc1 223498358 KOGWYIIICGJJTA-DQEYMECFSA-N 455.587 4.762 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 408899272 OZNGIQJKONLITF-UNOMPAQXSA-N 466.921 4.889 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCC 409139648 CFIFCVJCLASFSK-MHWRWJLKSA-N 458.967 4.586 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S)c1ccccc1 409180750 VBMIYZHNEXMLCC-KGENOOAVSA-N 464.543 4.951 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409230398 CYOPQBKOVOJBPU-BKUYFWCQSA-N 453.520 4.830 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 41082503 HGXVMWQISKNKHU-IQVAWJCQSA-N 475.545 4.864 10 40 JJCB COc1ccc(-c2coc3cc(OCCN4CCN(c5ccc(OC)cc5)CC4)ccc3c2=O)cc1 54307025 FQVCTWISZIGPGY-UHFFFAOYSA-N 486.568 4.678 10 40 JJCB biogenic Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414134 JJIYRXZFRCGGNL-VABKMULXSA-N 485.923 4.652 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1 408867645 LAZKBLPPVNWTGU-MOSHPQCFSA-N 450.922 4.901 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1cccc(F)c1 409088595 GJJVFJZLKZXAOM-UMUMUWHJSA-N 459.564 4.794 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 1217842 ZVHNSCDBTYRZCU-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)S1 32110016 FIHYQYABUDOKRM-RQZCQDPDSA-N 465.756 4.788 10 40 JJCB COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O 102761219 YRJJLAGRSUMRBJ-RZUBCFFCSA-N 485.323 4.759 10 40 JJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C 208306260 FBQHDEZLPGHQJV-ZFMLPXDISA-N 463.603 4.639 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2[C@H](C)CC1(C)C 208329704 APVDIECSEOZYQH-MBTVCVBTSA-N 475.545 4.502 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223657153 ZAMMCYSXLXGQOA-ILBGXUMGSA-N 462.619 4.642 10 40 JJCB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCCC4)cc3)C(=O)O)o2)c1 408633772 PESQEQATMNACET-RGVLZGJSSA-N 453.520 4.572 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C 409232471 IHIJPJLJPITEBY-XDHOZWIPSA-N 479.989 4.896 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1C 409364965 XAJBIDMRIRLEJQ-ODLFYWEKSA-N 488.407 4.807 10 40 JJCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)S3)CC2)cc1 8817222 CESUGNHAYFGNMZ-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 13939976 KCKXBDHDHIJFLU-MOSHPQCFSA-N 450.853 4.725 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408780861 MECMLLFQPKBQEI-LPYMAVHISA-N 485.540 4.787 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408808727 FVAPCAZIRFXDPP-XDHOZWIPSA-N 450.853 4.725 10 40 JJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)sc(C)c1C 409205953 SAIVFLWGYKMUQI-UDWIEESQSA-N 491.569 4.534 10 40 JJCB Cc1c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409230231 COMSHFXTKCGGOV-BUVRLJJBSA-N 466.497 4.999 10 40 JJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccccc1F 1220405 QQRBUTQPLJPDGD-NVNXTCNLSA-N 454.342 4.665 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8763455 HFXSSNZENBFPDV-XDJHFCHBSA-N 472.588 4.857 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 17167388 FIXFIOUEUGFGEF-LICLKQGHSA-N 463.490 4.634 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 23854899 XKYMIOUPOQUATJ-UHFFFAOYSA-N 468.601 4.562 10 40 JJCB O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2[C@H]2C=CC[C@H]21 58850041 NFIBVAXTRYLTPU-GLDPYIMESA-N 491.525 4.920 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)cc21 260911939 DIRIQURCDQDAML-YADHBBJMSA-N 457.043 4.722 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 409342006 CQPPYMDJCJAPCN-PXLXIMEGSA-N 476.579 4.820 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)c2C)c(C)c1 980528 LJWSBTJGKYJNFY-FYJGNVAPSA-N 491.544 5.000 10 40 JJCB COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 9281925 CIQOCJARJXPGFH-GFQWBHFJSA-N 498.966 4.911 10 40 JJCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 408779355 DDNYYOKLIDJERK-UDWIEESQSA-N 491.931 4.509 10 40 JJCB CN1C(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=O 408781645 DMOKVFOEXASZSA-UHFFFAOYSA-N 453.951 4.521 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)cc1 409220983 IUQACCQZMUVVOP-GIJQJNRQSA-N 468.376 4.885 10 40 JJCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1OC 1244052 OKGXVGMWQUJPKV-OVCLIPMQSA-N 469.371 4.557 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CC2)cc1 9056420 QKUTXAJLMUJOSQ-UHFFFAOYSA-N 454.526 4.739 10 40 JJCB COc1cccc2cc(-c3cc(=O)oc4c(CN5C[C@@H](C)C[C@H](C)C5)c(O)ccc34)c(=O)oc12 9109398 HGWNUHQWPVTUAV-HOTGVXAUSA-N 461.514 4.759 10 40 JJCB biogenic Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1C 16732694 GKQFRQJUFGMMBK-FCQUAONHSA-N 491.638 4.803 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 18020865 UDSSIJUPXWYCDQ-YHBROIRLSA-N 456.498 4.788 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cc([N+](=O)[O-])ccc2C)cc1 20289163 LETWEVSQUWTRMB-KQWNVCNZSA-N 487.472 4.957 10 40 JJCB COC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 95603914 ZWFXJAXGWFJFCG-WJDWOHSUSA-N 466.378 4.864 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1C 100562403 ZVCOYIFHWPGJRS-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 408781080 RHLQHDSQVQYDES-DTQAZKPQSA-N 458.499 4.536 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)NC2=S)cc1 408968796 ZFJPODAWKVFOQD-XQNSMLJCSA-N 473.598 4.887 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2c1 409094535 DPCMQZNQIOWGJY-LFIBNONCSA-N 471.296 4.830 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1O 409143721 HGYLTTJTFDOKHL-NVNXTCNLSA-N 469.371 4.562 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 409371521 GUXUADAQOPHQCI-VIZOYTHASA-N 499.357 4.848 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)SC1=S 409379321 WCDUNSWWZXIPQJ-SXGWCWSVSA-N 468.385 4.920 10 40 JJCB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C 3283435 PVFOPTLBDTWCJN-UHFFFAOYSA-N 497.389 4.629 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214543 ADGSPUGJTQNXLC-LJQANCHMSA-N 471.941 4.546 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCCc3ccccc32)C1=O 12278508 VGYBNNHMKWYBGU-PGMHBOJBSA-N 452.601 4.656 10 40 JJCB CCOc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1OC 13547026 ZMHVVAHULXDVOW-STZFKDTASA-N 457.983 4.540 10 40 JJCB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NNC(=S)Nc1ccccc1F 16218955 QYIYPVKUUNPFRZ-UHFFFAOYSA-N 495.945 4.502 10 40 JJCB Cc1cc(C(=O)[C@@H](C)OC(=O)[C@H](C)Sc2nncs2)c(C)n1-c1ccc(OC(F)F)cc1 40138899 IDPZFWHFRYZVCH-KGLIPLIRSA-N 481.546 4.842 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 58849926 JAVBRRFMDWBECP-GLDPYIMESA-N 491.525 4.920 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(F)(F)F)c1 223604724 XHTLUHNQSIRUOP-FCHUYYIVSA-N 474.552 4.863 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 223651351 YHOUGVCTEUCEOD-RPBOFIJWSA-N 462.619 4.587 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 224429751 RKUQFGSTLXSAEH-UHFFFAOYSA-N 486.465 4.702 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 408811612 NZPUTWRSLPOFQX-UDWIEESQSA-N 476.916 4.902 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 408852722 MVAPLDDNOZKVBK-WSDLNYQXSA-N 471.513 4.729 10 40 JJCB CCCN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2204371 CCWOZRFXYXLCLB-VBKFSLOCSA-N 457.964 4.751 10 40 JJCB COc1cc(/C=C2\SC(=O)NC2=S)ccc1OCC(=O)Nc1cccc2ccccc12 28294977 PLEPGAWBDUFKND-NDENLUEZSA-N 450.541 4.991 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccccc1Br 408890122 OEORBFNIEKDILR-LGMDPLHJSA-N 495.304 4.834 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OC(C)C)C1=O 408895709 FGZAGRZCHSWXOL-YBEGLDIGSA-N 477.742 4.865 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408903569 ZVBVUWCAOJGBPK-GZTJUZNOSA-N 478.389 4.797 10 40 JJCB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c3ccccc32)cc1 409191799 NOLAZJXEZCZUCS-OEAKJJBVSA-N 495.560 4.528 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1 660247 LJUKBIVLFSPBDG-HAHDFKILSA-N 455.514 4.827 10 40 JJCB CCOC(=O)c1oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccc(OC)cc1 3653077 QQTWWOQRDDRKSV-INIZCTEOSA-N 451.519 4.583 10 40 JJCB biogenic O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 8765667 NRXXPTZJFSWHCP-CHHVJCJISA-N 473.790 4.958 10 40 JJCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 9459813 NALNZWPGIYVSLF-QVKWDTFWSA-N 453.527 4.636 10 40 JJCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414136 JJIYRXZFRCGGNL-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223558817 XFQCYJFFOVTTST-JWQCQUIFSA-N 455.587 4.757 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1C 260800670 UMHLDAUFKCSMEL-NZQKXSOJSA-N 485.694 4.963 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccccc2Cl)c1 408893468 GGRLXDGZBOWUJS-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cccc1OC 409220915 HRWBVUUPQPXODS-SWEABUAFSA-N 458.967 4.666 10 40 JJCB COc1ccc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 2532803 KCWSIVHWUWEBDH-UHFFFAOYSA-N 456.498 4.904 10 40 JJCB CCCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 8742393 JLFXVGSQELOSEU-JVCUKQJDSA-N 484.691 4.877 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1OC 8765929 IBGYOYGQEUHSFD-ODLFYWEKSA-N 497.623 4.667 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 9041034 PGNKSKIGNYBXEY-CNXJSLBUSA-N 482.949 4.843 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1 9309619 PYTDTOVCLALUKT-UGIGCIEISA-N 469.570 4.965 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)N=C2O)c1 13800148 KACPTEVDOLDBCA-PDGQHHTCSA-N 480.860 4.568 10 40 JJCB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(Br)c(O)c(CN3CCOCC3)c12 38909383 FTIVAEVHGMKZPX-UHFFFAOYSA-N 457.368 4.750 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Br)c1O 96193408 DULYUXJEAKLELP-MLPAPPSSSA-N 479.714 4.711 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223688754 OJUXRKMNRDVMLA-XZOQPEGZSA-N 469.010 4.678 10 40 JJCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1c(O)ccc2ccccc12 408774638 CPYGLCJLNGCNQD-XNTDXEJSSA-N 460.795 4.884 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c1C 408802578 ZCKIMCMGISLCPU-MHWRWJLKSA-N 457.324 4.520 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)c1C 408808562 QGBXSTSYDOGUOI-GZTJUZNOSA-N 457.324 4.520 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)c(C)c1 408817916 WODQMNPZVFSNDF-HYARGMPZSA-N 470.525 4.866 10 40 JJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)ccc1Br 409149872 TXJHEVFIEQTGPF-FYJGNVAPSA-N 492.373 4.827 10 40 JJCB O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1cccc(F)c1 9233851 DZDYUXSRIJHSHB-VGOFMYFVSA-N 457.289 4.542 10 40 JJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C)Cc1ccc(Cl)s1 12548364 NBKIGNSWHBNHJX-UHFFFAOYSA-N 464.012 4.807 10 40 JJCB NS(=O)(=O)c1cc(Br)c(/N=N/c2ccc(O)c3ncccc23)c(Br)c1 100136863 LYDXIMLSHYTFLA-QZQOTICOSA-N 486.145 4.528 10 40 JJCB in-vitro COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(C)C 110422532 XOTHVPXSFCOCIW-FBHDLOMBSA-N 486.659 4.931 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1 223268193 GFRQNKGNJHMKSU-PKTZIBPZSA-N 454.043 4.677 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409099373 QTECWGYOSUNQLZ-VQGSWFTOSA-N 453.347 4.999 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC(C)C 409134273 NQAFCOGTDJTDKI-LICLKQGHSA-N 472.994 4.974 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 409221367 PIYAWXYUGUQFPX-GZTJUZNOSA-N 464.861 4.581 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C1=O 409239276 CVNVJZPNTWBGHU-RCCKNPSSSA-N 483.499 4.894 10 40 JJCB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)c1 10112168 FXKDYGYYGDSMJG-UHFFFAOYSA-N 477.630 4.943 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4C)C(=O)N=C3O)c2C)c([N+](=O)[O-])c1 32121183 VIQFHECYPBTSLB-UNOMPAQXSA-N 474.473 4.826 10 40 JJCB Cc1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(C)n1-c1ccc(Cl)cc1 48354925 YVOZYEXIIJTQLR-UHFFFAOYSA-N 453.945 4.921 10 40 JJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 100136025 UWKKNWPKLKMVTQ-HKWRFOASSA-N 454.625 4.628 10 40 JJCB CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 107989158 TWZMBMXSTQIYIK-UYRXBGFRSA-N 471.897 4.874 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 222397471 HUPAXJUCHNUJHJ-QKNQBKEWSA-N 492.314 4.689 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c1 408762907 LRYRALYWMQXHQS-OEAKJJBVSA-N 459.571 4.633 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OC(C)C 408801218 SJRLSUDQZZZPJF-WOJGMQOQSA-N 456.926 4.755 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 408873387 QFYCCOJDOOSXPL-STZFKDTASA-N 476.529 4.635 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2)c1 408875436 IVCFQUXNWNAKOO-BKUYFWCQSA-N 478.957 4.759 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1cccc(Cl)c1 409217504 WGYYELPQOZJHSV-YBFXNURJSA-N 482.901 4.973 10 40 JJCB COc1cc(SC)ccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 2635532 ZYUORRJCXDLRSX-UHFFFAOYSA-N 467.543 4.636 10 40 JJCB COc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(CN4CCCCC4)c(O)c3c2=O)cc1 3653116 ZVMDLRLVCHVZGX-UHFFFAOYSA-N 478.589 4.852 10 40 JJCB biogenic COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C)cc1 13424005 WBAPYCLBGWDQQP-LZAZYHHXSA-N 469.584 4.603 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18077521 CJBWOCOFPGOMDQ-HJOGWXRNSA-N 483.495 4.644 10 40 JJCB O=C(C1=CN(c2ccc(Cl)c(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 49003937 LQKXGVIBLVEBFH-UHFFFAOYSA-N 455.338 4.912 10 40 JJCB COCCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)nnc1-c1ccncc1 8892835 XIKANAUCUJTVRQ-UHFFFAOYSA-N 479.581 4.817 10 40 JJCB Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 13425378 SEMROOFQIRMDTK-ZRSBZDGVSA-N 474.464 4.634 10 40 JJCB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 18127577 JLZYOXVPSOBRAM-GSDHBNRESA-N 471.557 4.511 10 40 JJCB O=C(NN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S)c1csc2c1CCCC2 96021810 RHIXEJUBJWKRQB-FJIBGIISSA-N 471.585 4.638 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(F)(F)F 223615563 ZQDDQEQNMWBDCZ-FCHUYYIVSA-N 474.552 4.863 10 40 JJCB CN1C(=O)NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O 409000254 YAEYFSKILMUELZ-XQNSMLJCSA-N 492.491 4.811 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 409014482 POWYKDGVVYSISJ-DEDYPNTBSA-N 469.488 4.944 10 40 JJCB CCOc1cc(Br)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OCC 409077600 GBUGFHFGKINBMX-ZLYHGVDXSA-N 472.426 4.627 10 40 JJCB COC(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 409131881 PGZCKWDQACZUCG-NVMNQCDNSA-N 487.400 4.983 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(F)c4)C(=O)N=C3O)c2C)c1 977434 SVMIRPIPNBNPHH-LPYMAVHISA-N 475.476 4.917 10 40 JJCB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 13147578 PDHQFWWTBHLQJD-UHFFFAOYSA-N 454.265 4.564 10 40 JJCB Cc1cc(/C=C2\C(=O)N=C(O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1 13798881 ZDQUUFYUPNFJFR-UDWIEESQSA-N 464.319 4.727 10 40 JJCB CCN(CCc1c(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)[nH]c2ccccc12)C(C)=O 17027955 ZVTPUMVQKYERSU-XSFVSMFZSA-N 478.936 4.739 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18077518 CJBWOCOFPGOMDQ-KMDXXIMOSA-N 483.495 4.644 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(=O)O)c1 223348308 OMCORUQGRFEBEN-ZEQRLZLVSA-N 472.570 4.953 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)c2C)cc1 409208877 DVDLLJPIWMPVHF-UNOMPAQXSA-N 469.613 4.710 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)cc1 409330721 LOPUTVIRWQCZGU-HMAPJEAMSA-N 494.569 4.960 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 409368391 TYGXTKSAJNCRTF-LZYBPNLTSA-N 484.386 4.949 10 40 JJCB CC(=O)c1ccc(O)c(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 8816275 RAFHZUDCXQOACM-UHFFFAOYSA-N 492.988 4.904 10 40 JJCB COCCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S 12761398 VSRPYEVMNIFSSX-WOJGMQOQSA-N 461.634 4.682 10 40 JJCB O=C(N/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O)Nc1cc([N+](=O)[O-])ccc1Cl 16544883 GHECATGXKYZBEL-PTNGSMBKSA-N 479.836 4.530 10 40 JJCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc3ccccc3c2)C(=O)N(C)C1=S 59140073 ILORRICPOXXOBD-UHFFFAOYSA-N 495.398 4.780 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(Br)cc2)C(=O)N1c1cccc(Br)c1 59198288 WCJBRWDJLKWMME-RIYZIHGNSA-N 450.086 4.718 10 40 JJCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)n1 104090898 NEKGPXIAACPVOJ-OAZKENCHSA-N 488.537 4.976 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 225505783 MXJMAXMVXUOLAG-KAYWLYCHSA-N 497.624 4.806 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 408898414 MCTOSYPYESVJSV-JLPGSUDCSA-N 474.488 4.860 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)SC2=S)cc1 409342192 AMRUFNDWARYIIF-FYJGNVAPSA-N 478.551 4.704 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C 8440257 UTIUIRXSTHKGLO-KQWNVCNZSA-N 490.585 4.831 10 40 JJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 8819832 UNFIOVIQRGBCAB-PYCFMQQDSA-N 468.644 4.782 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCCCC1 8820012 RXZCMQQNZMZGFW-HKWRFOASSA-N 460.621 4.580 10 40 JJCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)CC2)cc1 58133062 VRUKYCMABFAPDY-GOSISDBHSA-N 459.546 4.752 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 106723031 FNMZNNUFCHHROL-UYRXBGFRSA-N 459.365 4.522 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257277436 NXXYFLJIFOESDM-JOCHJYFZSA-N 459.590 4.565 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1C 408779948 OJNITUJZALSYEE-WYMPLXKRSA-N 457.574 4.776 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1F 408892471 ZUDKWQIMWZSPAO-KGENOOAVSA-N 474.488 4.778 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1 408964653 DZYDSLCJGYWICP-UCQKPKSFSA-N 461.493 4.503 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 409240258 SCPWDWWODFFSFF-RIYZIHGNSA-N 479.783 4.641 10 40 JJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 35203199 PEACZPHNJDFMRE-HKWRFOASSA-N 459.498 4.743 10 40 JJCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 208640197 NQOKJGGOZUDJCA-PDGQHHTCSA-N 450.507 4.948 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 224593745 JQDFGNYVVGEPGZ-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c(C)c1 408751747 CATBCBVIOBNKLA-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(C)cc2)c1 408801223 SLDQAPLTQAANJN-HYARGMPZSA-N 456.498 4.557 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)NC1=S 409174021 PUGZEKDNVOMSCS-QGOAFFKASA-N 479.989 4.896 10 40 JJCB O=C1N(Cc2cccc(Cl)c2)C[C@@H](OCC2CC2)C[C@]12CCCN(Cc1cc(F)ccc1O)C2 2037879393 UBRFIZLWOPNCAQ-IGKIAQTJSA-N 487.015 4.995 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 2213900 JRPJPLHAWGNDRN-NDENLUEZSA-N 482.309 4.662 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 9238094 AEIPOAGCZLMPTK-AXWKRHODSA-N 490.976 4.819 10 40 JJCB COc1cc(-c2nnc(COC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc(OC)c1OC 9562971 KXPSHHPAWONIRQ-UHFFFAOYSA-N 481.480 4.666 10 40 JJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 40567363 CIJZWPZWCUZQDM-SLVCOGOPSA-N 498.991 4.916 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1 208229598 PXPYRAJTKUKKOX-KOWBDXASSA-N 461.562 4.782 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 408743332 VRIJCHFGRCPZSR-AWNIVKPZSA-N 456.148 4.587 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccc(C)cc5[nH]4)o3)C2=O)cc1 408965783 LYILLCWBZKQKQU-SFQUDFHCSA-N 458.499 4.590 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)cc1 409237533 XGMUPKUSLLGZFX-PXLXIMEGSA-N 465.575 4.669 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC 409347670 QVLUKTLMBKOHRU-UDWIEESQSA-N 457.573 4.660 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 640723 HLYGDOUYOOTCRU-UDWIEESQSA-N 493.357 4.807 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1 9659856 APLPSFDYBMVESI-PGCFBHMESA-N 464.547 4.572 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 12696114 GJJLSAQRHIYPKB-UHFFFAOYSA-N 492.428 4.548 10 40 JJCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 19855996 VLAICYTWVMEYRQ-XQNSMLJCSA-N 474.542 4.643 10 40 JJCB Cc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 20030467 SFRAROVBRVKZJH-RGVLZGJSSA-N 477.904 4.948 10 40 JJCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1 20726690 WTSBFCLLCLLTLM-HHHXNRCGSA-N 471.557 4.703 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 22063644 LNBROZFKIXKJAN-NHEADELISA-N 492.601 4.889 10 40 JJCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 33417734 KQPGNFVVUOWKAT-RQZCQDPDSA-N 468.853 4.751 10 40 JJCB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 54360707 MCEQQYNNIWERJB-GQFJFNLSSA-N 470.019 4.770 10 40 JJCB COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 101346703 MJBHSSASJKNIBZ-RCCKNPSSSA-N 496.976 4.868 10 40 JJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 103918644 YEPZMWJOSXGLML-JWGURIENSA-N 457.563 4.825 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(Cl)c3)C(=O)NC2=S)c1 409014495 PSNBPOFXKNVQMM-XWAFYUISSA-N 458.967 4.747 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 409071189 FRUYORIUNLDLDV-RGVLZGJSSA-N 453.901 4.988 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1 409241454 NKNDKUFCMXBJHQ-NDENLUEZSA-N 469.488 4.944 10 40 JJCB O=S(=O)(O)c1ccc2c(O)c(/N=N/c3cccc4ccccc34)c(S(=O)(=O)O)cc2c1 4803996 NJWLGVOMWIUJAR-QURGRASLSA-N 458.473 4.607 10 40 JJCB O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCCOc2ccccc2)c2ccccc12 9016082 JODIXHFLOIJLQL-XQNSMLJCSA-N 469.497 4.570 10 40 JJCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 9035591 HUPAXJUCHNUJHJ-DYXWJJEUSA-N 492.314 4.689 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1 12273968 SLHRKNNHAFUFOX-ORTNRGLGSA-N 465.552 4.852 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 33720799 NHMPHVFHUKOEOV-ATVHPVEESA-N 484.295 4.942 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(Br)c3)C(=N)N2O1 41078488 LGEIZEIGWXWHRB-JKGLIZDUSA-N 482.334 4.666 10 40 JJCB Cc1cc2c(cc1/C=C1\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C 208225564 IUCYXCTYFXRJGD-YQODDJSKSA-N 480.996 4.902 10 40 JJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c([N+](=O)[O-])c1 222836088 WNQCXAPBSBCVAQ-GOTSBHOMSA-N 465.579 4.787 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1C(=O)O 408843570 GBWJPDULVFTDFG-MHWRWJLKSA-N 485.279 4.926 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1Cc1ccccc1Br 408872604 HCGWODTTYFWZOC-JXAWBTAJSA-N 479.305 4.845 10 40 JJCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408894235 BSSXRJLQBFBVTH-NGWPFTMJSA-N 487.350 4.610 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccco1 409133686 MHJWOXHGEPYAOA-NHDPSOOVSA-N 477.567 4.545 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NC3CCCC3)c12 409145662 QONMFHMBEAJCOU-CWGWECIMSA-N 497.686 4.643 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)SC2=S)cc1 409332575 QJXCWSZKHGIKJH-LICLKQGHSA-N 494.388 4.717 10 40 JJCB CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)SC1=S 2965911 PRQRYLGGFGAONB-BOPFTXTBSA-N 495.376 4.646 10 40 JJCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C 12445295 NSPRFPULOPZELK-KYYPIKSYSA-N 454.954 4.599 10 40 JJCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F 33366378 NDTJQBNZAMQLPH-UNOMPAQXSA-N 497.320 4.637 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 43773491 VYFPVLLDAYUNLQ-ZFGGDYGUSA-N 491.525 4.920 10 40 JJCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 100414102 SIFAUZJHQPCUNX-HBMCJLEFSA-N 492.314 4.689 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(OC(C)C)c(N2CCOCC2)cc1OC(C)C 102365928 GSEKNFDROQWGJX-GDNZHBKUSA-N 479.581 4.973 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 408807277 GUUNMVHGJUKPCH-FYJGNVAPSA-N 476.916 4.984 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)C1=O 408811659 RMLKRGWMGWPDIC-NTEUORMPSA-N 477.742 4.865 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408878840 CHNGPULOKWCWMO-HZHRSRAPSA-N 458.489 4.654 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1 408884133 WXNWVVGQXYQGBD-CJLVFECKSA-N 488.927 4.774 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 409239448 MUQIMKDJMKUVTH-FYJGNVAPSA-N 474.538 4.908 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1C 409249451 INHAZOVPYHSGQK-MYYYXRDXSA-N 497.551 4.604 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S)c1cccs1 409335929 ZSQIGTKNRGHEMU-XDHOZWIPSA-N 497.579 4.782 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(F)c1 409375062 DWGXSRDODBAEEN-CFRMEGHHSA-N 489.572 4.854 10 40 JJCB COc1ccc2cc(C(=O)Oc3ccccc3/C=C3\SC(=O)NC3=S)sc(=O)c2c1OC 2659132 RRDZSGXIJHWSGI-DHDCSXOGSA-N 485.564 4.623 10 40 JJCB CCOC(=O)c1c(CN(C)c2ccccc2)oc2cc(Br)c(O)c(CN(C)C)c12 20028416 GNNXKVBVBYBWES-UHFFFAOYSA-N 461.356 4.776 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 408961793 FDKQPRRAYTUYBZ-CPNJWEJPSA-N 464.319 4.523 10 40 JJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409189990 PGWCTROIKQUHJA-MHWRWJLKSA-N 487.320 4.783 10 40 JJCB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O 1218255 CYSGAQMNVSRJPO-CHHVJCJISA-N 483.796 4.648 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCc2ccccc2OC)cc1 20288439 BEAXDFZQBUCPPG-BWAHOGKJSA-N 457.530 4.527 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1 41076711 WTCXBSBVAIGXCJ-NEAWXCLQSA-N 469.570 4.851 10 40 JJCB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 223072440 PXEHUYOAYOUPCA-CVEARBPZSA-N 467.429 4.734 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408585137 BDGHKHUZFSXIKN-BOPFTXTBSA-N 457.910 4.551 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C2=O)cc1 408776194 NDUHGEPQSFOPLC-YBFXNURJSA-N 478.892 4.631 10 40 JJCB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409340487 XYPFTVGUEXMXMR-PXNMLYILSA-N 482.352 4.546 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(C)C 409340552 ZCVPOLVWUWTTNX-WQRHYEAKSA-N 462.618 4.728 10 40 JJCB CCc1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 8438773 UNUQIJFRNGQDOU-HMAPJEAMSA-N 462.933 4.951 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5ccc(C(=O)O)cc5)o4)C(=O)N=C3S2)cc1 9057114 XKESRJUTDWOHDN-LSZLNTRYSA-N 456.483 4.621 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3Cl)o2)SC1=S 9310663 FBPNUWUEQSAVKP-AWNIVKPZSA-N 458.742 4.648 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)S1 9425537 WRLDHTQXGIWOFZ-MFOYZWKCSA-N 465.756 4.788 10 40 JJCB CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 59138965 RSRKRYSSDMSEKX-SFQUDFHCSA-N 451.822 4.517 10 40 JJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 100931037 YRVQTAROGUVICU-PXLXIMEGSA-N 466.950 4.859 10 40 JJCB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 101884101 VCXCXPZXYKZPAB-BYYHNAKLSA-N 460.490 4.750 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)cc1 408762684 FRBYNBNLOQDTTA-PDGQHHTCSA-N 483.343 4.549 10 40 JJCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 409075286 YKZHUPCQZPJWNV-BKUYFWCQSA-N 456.970 4.765 10 40 JJCB O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 409080741 MNFTWWFOEHPKJP-ZIHVZMLCSA-N 479.583 4.978 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 409251696 VSVBMMDBVSGQPQ-GZTJUZNOSA-N 477.483 4.666 10 40 JJCB O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2O)C1 4258725 FJBUCGSUDNIINZ-QFBILLFUSA-N 456.464 4.739 10 40 JJCB biogenic,in-vitro CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 8710943 AFYPRAAPUIINCW-UHFFFAOYSA-N 451.640 4.596 10 40 JJCB CCCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC 13532975 LAHGSTJMVBOVTL-XDJHFCHBSA-N 451.610 4.809 10 40 JJCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 107740927 LSOSWISRPPIUOI-FYJGNVAPSA-N 493.357 4.807 10 40 JJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc21 208445620 PVWBRCQYVOVKPG-YBFXNURJSA-N 480.362 4.747 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408794724 BGPIWSHHXZCSNO-MHWRWJLKSA-N 477.742 4.866 10 40 JJCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CCOC)C3=O)c2C)cc1 409148661 ZJZBZZUGSUROKC-QNGOZBTKSA-N 472.632 4.899 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1C[C@@H]1CCCO1 2660334 QORWJBSBPSOAOX-QFIPXVFZSA-N 452.526 4.870 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 13616137 ZNROZBPLJHYIJB-ATVHPVEESA-N 457.280 4.625 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1C(F)(F)F 111507777 FRQKOFVCGJZYLU-WOJGMQOQSA-N 471.410 4.918 10 40 JJCB C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 195530012 FRJSGEMBBRRKNY-WNBJVNMXSA-N 491.971 4.910 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)cc1C 408912688 ROSOWFINBYKYLJ-LPYMAVHISA-N 487.581 4.549 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Cl 409125334 DWYVPUVKXDJLFR-LDADJPATSA-N 486.952 4.588 10 40 JJCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 646110 DUXPRXRCQYBIAG-CIAFOILYSA-N 466.335 4.616 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1074027 FMUPWRJIGYWCQA-JWGURIENSA-N 460.515 4.647 10 40 JJCB O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2O)C1 5415050 WXRICKVTFSKTBP-QFBILLFUSA-N 456.464 4.739 10 40 JJCB biogenic,in-vitro COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SC)SC3=NC2=O)c1C 9291540 CTANLXQUCSCROB-FRYOISGKSA-N 459.984 4.696 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 22509849 POHMSJJMVBSPHO-UHFFFAOYSA-N 469.994 4.671 10 40 JJCB Cc1ccc(COc2c(Cl)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Br)cc1 59139406 YFJFWEFPNSHLIR-UHFFFAOYSA-N 493.810 4.589 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OS(=O)(=O)c1ccccc1 208662429 KDFWAZGACBESIE-QNGOZBTKSA-N 466.540 4.545 10 40 JJCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(Br)c2)SC1=S 256055685 PTKIAQHAOOAIAV-GFWHJHDHSA-N 491.432 4.737 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 408953209 PCGOHVUBHGPZFT-CAOOACKPSA-N 498.322 4.796 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408968482 ZKKXTGKSMAAJDV-MHWRWJLKSA-N 484.892 4.577 10 40 JJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409062446 VAOBAKXFGLQZCN-HMAPJEAMSA-N 464.562 4.599 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 409095486 BHSKEVDTCKBXST-GXDHUFHOSA-N 471.252 4.618 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 409379232 VYMXPUQAQHAUQT-LDADJPATSA-N 481.917 4.902 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O 1252198 BIICJVJGJUFPCW-PXNMLYILSA-N 469.371 4.644 10 40 JJCB CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 100415404 MNVNKWBDLWRIBB-KMDXXIMOSA-N 483.495 4.644 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223659339 HDFROZGQJHVAJS-RPWUZVMVSA-N 499.036 4.687 10 40 JJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1OCC 409190474 OFFLUEVQMXTVRN-OVCLIPMQSA-N 493.343 4.549 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214220 HROPSEXOEDEQPP-HXUWFJFHSA-N 486.366 4.647 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc1 22665658 LVSWKANLARRHBV-RUZDIDTESA-N 499.005 4.978 10 40 JJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 33321619 KNWFHMPOBOUQKH-AUWJEWJLSA-N 463.273 4.526 10 40 JJCB Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35190592 NRBRBYVBOMTWGN-STZFKDTASA-N 463.331 4.798 10 40 JJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41076696 NODOJWWLLVBXGE-RQUXIJKASA-N 487.497 4.839 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N2O1 41078474 RAPPUGRRIZHGJX-LEHBZZPOSA-N 451.910 4.865 10 40 JJCB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Br)c1 59198313 GLBVVNJVLRJJIH-NTUHNPAUSA-N 450.632 4.517 10 40 JJCB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 100535504 RRIYWKSCJXUFHN-KQWNVCNZSA-N 490.585 4.831 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274246 XMPMJVIHFWRPNK-ZEQRLZLVSA-N 468.070 4.985 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(C)c(C)c2)c1 408816049 QSKRBWJHGFXREF-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1C 408964657 DBDBFFDZNDXSCI-HMAPJEAMSA-N 476.964 4.841 10 40 JJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC 8917872 AMNWFVMQWGBSIP-PVHODMMVSA-N 479.532 4.726 10 40 JJCB biogenic COc1ccc(N2C(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 9260327 DJCGTIHUFOKNBQ-IWIPYMOSSA-N 481.577 4.838 10 40 JJCB COC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9292201 JNIJLEPTRJTOKD-TZRRMPRUSA-N 469.924 4.946 10 40 JJCB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 28248793 AXSUJIXERDOMLH-UHFFFAOYSA-N 451.957 4.621 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl 33633024 DZUCTEMXPHLHQI-BOPFTXTBSA-N 498.278 4.582 10 40 JJCB C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@@H](C)O1 95959910 QHQORVMTQKBEOZ-BBDDYXILSA-N 462.550 4.758 10 40 JJCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)cc1 101026340 GOPYGJAUHOZQFQ-ZRBLBEILSA-N 492.373 4.566 10 40 JJCB Cc1ccc(-n2nc(C)c(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2O)cc1 830700 WKOHCJNRHAAKST-UHFFFAOYSA-N 494.576 4.943 10 40 JJCB CCCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 9137163 XKZWAGUBFZEZSU-ZZALZPTESA-N 484.691 4.958 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCC4)c2C)cc1 13141968 WKKXEVVXOUEPIJ-UHFFFAOYSA-N 482.536 4.957 10 40 JJCB Cc1cc(C(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2nncs2)c(C)n1-c1ccc(OC(F)F)cc1 40138897 IDPZFWHFRYZVCH-ZIAGYGMSSA-N 481.546 4.842 10 40 JJCB Cc1cc(C(=O)[C@H](C)OC(=O)[C@H](C)Sc2nncs2)c(C)n1-c1ccc(OC(F)F)cc1 40138900 IDPZFWHFRYZVCH-KBPBESRZSA-N 481.546 4.842 10 40 JJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12 58866257 RJWFQDNLJUNNPA-UHFFFAOYSA-N 473.437 4.721 10 40 JJCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 59138782 NCRNBGOFNCHHFN-FYJGNVAPSA-N 478.346 4.865 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223518667 SJPIRODTQFUMOI-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 8707877 POCAAVBILGAULI-UHFFFAOYSA-N 496.611 4.716 10 40 JJCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 10232804 QQHCIWOUJKIMQU-QENILXLESA-N 486.354 4.773 10 40 JJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 10232918 CWZJJRBDCJRELL-ACRNLXFHSA-N 453.516 4.983 10 40 JJCB C/C(Nc1ccc(Cn2cnnc2)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20288201 JADYXOCKVYKANT-MOHJPFBDSA-N 452.493 4.603 10 40 JJCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59536685 WFCBRHCOLBEOTQ-UHFFFAOYSA-N 485.776 4.539 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)NC1=S 105001258 IRTCTMAWLFIIAZ-YBEGLDIGSA-N 451.773 4.759 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223657044 ZAMMCYSXLXGQOA-NOZRDPDXSA-N 462.619 4.642 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408814610 ZLFBIQFNVOOKCP-JJIBRWJFSA-N 456.498 4.721 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2cccc(F)c2)c1 408893631 GIHJMXNCXPEZSD-YDZHTSKRSA-N 474.488 4.697 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409346456 KRGLZPLLUTYYFV-ZDLGFXPLSA-N 463.964 4.696 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1C 1743849 QMHBZYXAVWRTBH-XSFVSMFZSA-N 478.932 4.576 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)SC1=S 2961534 LYPGOEVRWNZEMT-BOPFTXTBSA-N 498.445 4.746 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 3642056 YWFUDFOXBPTTDK-QGMBQPNBSA-N 460.939 4.768 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9009875 MTFIUQRMLGDFCN-DSITVLBTSA-N 455.460 4.987 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 9309457 WMMCTGBVEYMRKO-JCMHNJIXSA-N 478.505 4.786 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 10232850 MIHVRSCYJLGIPN-NURJGKTBSA-N 496.522 4.891 10 40 JJCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCc3ccccc3C2)cc1 16914833 UJAWAZKCNXGBLL-OAQYLSRUSA-N 476.067 4.545 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26531824 XKZWAGUBFZEZSU-MJTHPHFDSA-N 484.691 4.958 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 41078504 VROYXDUMEAZGGX-PUHYCJLASA-N 481.936 4.874 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(OC)c1 41082524 FOKLQEWCLGFPKP-PUHYCJLASA-N 497.935 4.655 10 40 JJCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Cl)c4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100694898 NDQPSLACEYGVTM-VABKMULXSA-N 485.923 4.652 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(O)cc1 223537699 DNOCADJOSOMJMZ-JWQCQUIFSA-N 455.587 4.762 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Br 223617369 NQFHDYGPCYQOIU-FCHUYYIVSA-N 485.451 4.607 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1 409101419 YFQJRLIFOCTQMX-YZSQISJMSA-N 499.615 4.780 10 40 JJCB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 967087 RDYPDWLPBWNRRG-XACIZNRCSA-N 463.964 4.602 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Br)cc1 1178950 WCGVNPUBVPURCN-YVLHZVERSA-N 450.379 4.868 10 40 JJCB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1C(=O)N1CCCC1 11121585 XGGCABDLLQHQAX-UHFFFAOYSA-N 498.988 4.616 10 40 JJCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20288382 DVIBUCNBZMCOET-JLPGSUDCSA-N 489.503 4.767 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 29491349 XWEAXNFJJGPVOK-LTGZKZEYSA-N 478.643 4.736 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)c(Br)c1 209559066 LNQBQZJELMUSOG-SFQUDFHCSA-N 465.303 4.992 10 40 JJCB FC(F)(F)c1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956685 QGWRHAWMMABHKX-UHFFFAOYSA-N 491.568 4.523 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4cccnc4)C(C)=C3C(=O)OC)c2C)cc1 408869191 RYOGPNCEUUMABV-MYYYXRDXSA-N 471.557 4.761 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 409217187 NXEZHDQDKGXADN-MTJSOVHGSA-N 493.516 4.606 10 40 JJCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)c1 2396235 PFLKGJPNYJEFMY-QJOMJCCJSA-N 474.586 4.631 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)C(=O)N(c2ccccc2)C1=S 8399297 ZOCSGMRVDGZJRJ-PXLXIMEGSA-N 458.587 4.751 10 40 JJCB COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4nn(C)c(=O)c5ccccc45)n3)c2C)cc1 9635466 UZLDWLFKKQWIDW-UHFFFAOYSA-N 485.569 4.725 10 40 JJCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 9884803 ZCQMNKWUGCZPDG-ACLQVGRQSA-N 486.354 4.773 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 16694902 MIHVRSCYJLGIPN-RQRMZWKBSA-N 496.522 4.891 10 40 JJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 100507668 CNQNSJZWRAKGCN-XQNSMLJCSA-N 460.559 4.823 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223518047 FRGOCRNZTHPTOI-LOSJGSFVSA-N 455.587 4.757 10 40 JJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)c2cccc(Br)c2)c1 257320338 VWIROVFCLRKFTM-UHFFFAOYSA-N 467.772 4.629 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC 408814333 VISSQTKBDJAFEC-LFIBNONCSA-N 487.350 4.611 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1Cl 408982823 FKXOQCQRAQQDIM-JMIUGGIZSA-N 478.892 4.631 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 977386 KJFXWSSVZJNVHQ-ZHZULCJRSA-N 461.562 4.935 10 40 JJCB CCOC(=O)c1oc2c(CN3CCCC[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1OC 3653082 AHAMJFDXCYCFOQ-INIZCTEOSA-N 451.519 4.725 10 40 JJCB biogenic COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 8819452 OHCUAILHRMIEFR-UYRXBGFRSA-N 477.007 4.977 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1 8819887 BLVHYIMWEYLWMT-ATVHPVEESA-N 461.634 4.860 10 40 JJCB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 8826273 TXYLZHCIZABDDC-DEOSSOPVSA-N 477.653 4.835 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 13940819 ZTLZKLCQIAEDON-KQWNVCNZSA-N 476.916 4.773 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)cc1 18179936 HBOZCCLXYMBKFN-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 195530013 FRJSGEMBBRRKNY-VDOQWLMESA-N 491.971 4.910 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223652753 GHJJOIVKHVFPCE-GOTSBHOMSA-N 469.010 4.678 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 408805496 KSVQZJDFSOQFJT-CPNJWEJPSA-N 491.887 4.802 10 40 JJCB CCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408894294 BZRNHNXZJMVCKR-WJDWOHSUSA-N 477.742 4.866 10 40 JJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 408916286 BBODJJOHXLHQIL-MOSHPQCFSA-N 466.921 4.889 10 40 JJCB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 11907994 JUCJQPXQYLYHBW-WXFUMESZSA-N 461.949 4.766 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccc(OC(F)F)cc1 12531775 VYLZXXBGBBOOIO-UHFFFAOYSA-N 450.419 4.705 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)nc1 223544317 QWCUUEUMHYXYMQ-LOSJGSFVSA-N 454.603 4.760 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1F 260926974 XJNAOPXRAVBPSP-DQMJNTIXSA-N 450.583 4.780 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccc(OCC)cc34)C2=O)c1 408779628 ZQJYABBSZOBWFA-XQNSMLJCSA-N 474.513 4.702 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 408811013 NFWPZDQFYXOASE-CPNJWEJPSA-N 476.916 4.902 10 40 JJCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C(C)C 408897984 KCZFOOGJRJMJJO-WOJGMQOQSA-N 457.324 4.556 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S)c1ccccc1 409181534 CVPVETIHUNSMAS-WOJGMQOQSA-N 484.942 4.844 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 409250190 MNSKZEMMMZOQFA-FYJGNVAPSA-N 474.538 4.908 10 40 JJCB COc1ccc(-c2oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)O)cc1 1547139527 SFWRIZJPMJYXJJ-UHFFFAOYSA-N 458.422 4.920 10 40 JJCB biogenic CCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2S(=O)(=O)C(F)(F)F)cc1 12580796 WAVSPEVZLMQNRB-WCWDXBQESA-N 488.444 4.693 10 40 JJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 13669614 GROLBKULUHLSCZ-HHHXNRCGSA-N 475.614 4.974 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38166665 PUEKVQNHWUSTRO-WZUFQYTHSA-N 466.233 4.513 10 40 JJCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 41084253 RPNWBUOTRRCJQR-QVKWDTFWSA-N 454.559 4.719 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cccc(C)c1 408805047 CRWNNTZNILHXGP-HYARGMPZSA-N 470.525 4.866 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 409372766 QDUDVZGMERMBFK-NVNXTCNLSA-N 454.360 4.940 10 40 JJCB CCCCc1cc(=O)oc2c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 524731066 JDSTWRDZSUZODG-WIOPSUGQSA-N 470.654 4.944 10 40 JJCB biogenic CCOC(=O)C1=NN(c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(Cl)cc1 624381 BKGORCCDCOVVIX-NRFANRHFSA-N 458.901 4.681 10 40 JJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8823937 CCOBDWHEZJQITP-FSEGOYHTSA-N 466.924 4.963 10 40 JJCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 9030109 YPLUWLQVSJEOLD-ATVHPVEESA-N 461.406 4.988 10 40 JJCB COC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(c2ccc(OC)cc2)C4)cc1 13692977 TXCBZAPVWDFGFN-UHFFFAOYSA-N 459.454 4.737 10 40 JJCB biogenic O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 16701128 XLGSRECMVMZQLM-JMIUGGIZSA-N 466.496 4.985 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1cccc(C)c1 41077623 HUBHNGOJLZOWHM-ZHZULCJRSA-N 494.034 4.962 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C 101125064 KPKLQNKOQWILSR-RCCKNPSSSA-N 496.976 4.868 10 40 JJCB O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113838026 XDGKBCMDNVYEII-LDADJPATSA-N 452.473 4.700 10 40 JJCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c(C)c1 223273072 MZPHMQCIJLTOEI-AOYPEHQESA-N 461.679 4.949 10 40 JJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408916696 GGSDVPSOPUIAIA-BKUYFWCQSA-N 466.921 4.889 10 40 JJCB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC 4133764 XLKNULNCALYFKI-DEOSSOPVSA-N 479.602 4.618 10 40 JJCB CC(/C=C1\SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O)=C\c1ccccc1 8974297 SFSYHZQMQIEQFR-JMVKBBCFSA-N 477.655 4.573 10 40 JJCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 9361263 IAEDBDFSQGSMBZ-XLUQTGDFSA-N 482.675 4.629 10 40 JJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 9884868 DFDSVGAMAPEFRU-IQFISFIMSA-N 459.545 4.578 10 40 JJCB Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 11907991 FRDITJHYSUICSB-WXFUMESZSA-N 461.949 4.766 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 16681436 XAABOZLWOOKAFH-BKUYFWCQSA-N 470.616 4.941 10 40 JJCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 20032364 WKYZJOFQPVOLCQ-WPTKKBASSA-N 455.923 4.583 10 40 JJCB Cc1cccc(C)c1N1CCN(CN(O)C2=NC(=O)/C(=C/c3ccccc3C(F)(F)F)S2)CC1 52525222 HZLCXVASBAUISY-ZHZULCJRSA-N 490.551 4.763 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 223611991 YTFKYCDNDYXTIB-UHFFFAOYSA-N 478.058 4.537 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1C 408849691 XYFRNAUYIBJKBU-HZHRSRAPSA-N 457.530 4.640 10 40 JJCB Cc1c(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1 408912301 QHIXFKXGLGXJLI-XDHOZWIPSA-N 482.309 4.662 10 40 JJCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)cc1 409326336 AKTBWCSPYCEGGL-PDGQHHTCSA-N 462.438 4.987 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)c2C)cc1 409353332 JEUZPYHZEOYZBP-QRVIBDJDSA-N 491.525 4.930 10 40 JJCB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)NC(=O)N=C2O)ccc1OCCC(C)C 1853193 JNULYZKXUXWFDB-UHFFFAOYSA-N 458.518 4.862 10 40 JJCB CCOC(=O)c1c(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CCCC2 2889875 FWGGOXKKEBOUFG-GOSISDBHSA-N 463.559 4.718 10 40 JJCB O=C1/C(=C\c2ccccc2I)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9296581 VZATYJMXCVJSFM-NTEUORMPSA-N 468.297 4.605 10 40 JJCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 13612475 BYRYWGHMZONHTC-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cc(Br)ccc2O)N[C@@H]1c1cc(Br)ccc1O 33932726 OABITYYYJTZDBK-IDFFQHIHSA-N 469.173 4.850 10 40 JJCB CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 139632919 WWULTXLLILEUBT-ABBNRAPFSA-N 481.596 4.524 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(C(=O)O)cc1 223538938 XYQDDBOIENDCGU-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223559478 PADXJVUSOABOBU-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 224388500 PJDMDVYEXJCPTC-UHFFFAOYSA-N 483.609 4.568 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260801569 CKELZOJTVFDDDT-ZWKOTPCHSA-N 473.664 4.749 10 40 JJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(-n2nc(C)cc2C)c(C(=O)O)c1 408532821 RDRDKCHYMHZLKZ-NDENLUEZSA-N 463.925 4.868 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408809222 NMSRZWLGTKIWEB-MHWRWJLKSA-N 477.742 4.866 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 408826971 UJEVVDLOKPEOQQ-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2700591 JOOGOCQNYYHEDO-GRTQGXPSSA-N 457.573 4.901 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(Cl)c2)cc1 13673140 GLEGNWJYIHFYGJ-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)SC1=S 33627642 KWFUUBDLQXNCAN-STZFKDTASA-N 468.600 4.798 10 40 JJCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 59138854 ZRUZDKCBRIXLRT-XDHOZWIPSA-N 478.892 4.664 10 40 JJCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc(O)c1O 85877524 COHQBDIUHAYPNM-UHFFFAOYSA-N 477.473 4.627 10 40 JJCB biogenic CC(C)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 101481324 VUAKJIPZLVFSSE-VXNXHJTFSA-N 465.505 4.505 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)c1 409013415 NGWIOYQZWVRIIB-WSDLNYQXSA-N 487.581 4.549 10 40 JJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409019784 XYIPQKKENQDOTE-FMQZQXMHSA-N 478.328 4.896 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1Cl 2224693 GQDZRJWHQGRWAD-WQRHYEAKSA-N 458.276 4.649 10 40 JJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 8921370 OFRFLHPUGYZCMO-OAHLLOKOSA-N 486.775 4.813 10 40 JJCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 9209476 YHLNPDCJYSRAHA-RGEXLXHISA-N 470.664 4.773 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2C)cc1 10593270 RLMDMBUWZKBFRA-SDNWHVSQSA-N 499.611 4.836 10 40 JJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 12273970 DXTUISJJJQVOHB-ACRNLXFHSA-N 480.523 4.752 10 40 JJCB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC(c3cccnc3)=NN12 41074341 HXCOKOKWQGIEOM-VKPUNFQASA-N 475.537 4.602 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1Br 408551569 NRLGBDGCGMNEDA-XDHOZWIPSA-N 488.407 4.515 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408813426 XRIQGJUJFPDMOC-RGVLZGJSSA-N 492.915 4.608 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 408884077 XQPKFQMPOVMRJO-WJDWOHSUSA-N 468.843 4.864 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cc(C)cc(C)c1 408891803 VQURPZQZRVVRBV-HYARGMPZSA-N 470.525 4.866 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)NC1=S 409175352 XRIZMQAJNYCWIK-SFQUDFHCSA-N 452.919 4.748 10 40 JJCB CSc1cccc(N2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)c1 409348393 SLTZKKXLSWHYHS-YVLHZVERSA-N 464.615 4.807 10 40 JJCB CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 17146318 UZEHFKCNLKOEKM-LDADJPATSA-N 471.296 4.892 10 40 JJCB O=C(C1=CN(c2ccc(Br)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1 49003943 BWZAAPAJEURMIE-UHFFFAOYSA-N 481.799 4.882 10 40 JJCB Cc1ccc(-c2nnc3sc(CCCN4C(=O)/C(=C/c5ccccc5)SC4=S)nn23)cc1 54360619 DGXXPYWUTPCGJU-JXAWBTAJSA-N 477.640 4.995 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223722389 GMHYEFVIPUSTFW-ZEQRLZLVSA-N 466.582 4.554 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O 408584986 XKKDRHMQQPPMFV-ZSOIEALJSA-N 466.690 4.824 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c1 408741662 RKIJHRJTDODVPQ-UYRXBGFRSA-N 497.370 4.939 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408752203 CDARDBXBDDIMTP-MHWRWJLKSA-N 487.320 4.783 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1 408771821 JHSNVRMKHPQNJQ-LDADJPATSA-N 480.929 4.692 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408918481 KZWFGSRHSNMXFM-ZDLGFXPLSA-N 498.923 4.626 10 40 JJCB Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccccc1Cl 409335161 ZBFOXLJOPYDXGQ-VXLYETTFSA-N 456.976 4.937 10 40 JJCB CCCCN1C(=O)/C(=C\Nc2cccc(Br)c2)C(=O)N(CCc2ccccc2)C1=O 8431406 YEXVMMIGYKWLAN-CAPFRKAQSA-N 470.367 4.579 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 9076317 WDTFHDGDQVMFLB-UYRXBGFRSA-N 465.303 4.938 10 40 JJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 16292478 XSXDIHVUFXFQLV-STZFKDTASA-N 457.442 4.989 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OC(C)C 107838176 OKJTXHGHKGOTIJ-WOJGMQOQSA-N 472.994 4.920 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1F 223308431 XJNAOPXRAVBPSP-NTUVXCKYSA-N 450.583 4.780 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223480572 ABAPAIVXNLLEDR-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 408900657 XGNZEASZLLEZJE-PDGQHHTCSA-N 468.843 4.864 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc2ccccc12 409190790 WFRUUOKHNAWPKU-HZHRSRAPSA-N 495.560 4.777 10 40 JJCB CN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(Br)cc2)SC1=S 2965035 BFJIPDZYXIMAHI-ATVHPVEESA-N 450.379 4.738 10 40 JJCB CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 8819804 KBWZAMNLWRVEJD-SSZFMOIBSA-N 460.650 4.809 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)SC2=S)c1 9296608 SUSDWUIDQQUBBH-RIYZIHGNSA-N 451.323 4.777 10 40 JJCB COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1 9309413 BQBHPELNSUODQZ-UHFFFAOYSA-N 467.934 4.983 10 40 JJCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(=O)C(C)C 260767333 MTWNMEUHSNZLNW-SFHVURJKSA-N 475.680 4.718 10 40 JJCB CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C(=O)O)n[nH]1 408631436 IZWHFROLBXVLRO-UYRXBGFRSA-N 454.552 4.559 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)c1 408741941 SXOFHIADSBOOIV-HYARGMPZSA-N 488.565 4.504 10 40 JJCB Cc1c(Br)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 408854814 BSPWGBRRYJBDMM-CPNJWEJPSA-N 464.319 4.523 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(Cl)c1Cl 408951748 MNRUUWXYNQZSAF-CXUHLZMHSA-N 498.322 4.796 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 409059188 VCKWGRCZDIKQIX-YBFXNURJSA-N 483.307 4.944 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1 8763498 GWAFCBOOULFUHW-ATVHPVEESA-N 489.644 4.638 10 40 JJCB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)o2)cc1C 12640267 ZJLDSPDSLPBLIB-HSZRJFAPSA-N 480.634 4.719 10 40 JJCB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1C 13041201 LRFSOSPALMKOCN-UHFFFAOYSA-N 450.535 4.872 10 40 JJCB C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)C1 13618960 NIWDLKDUEOIFOW-UQEILIANSA-N 482.675 4.711 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222944762 QDSMATHVHAGLCO-RPWUZVMVSA-N 462.619 4.904 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1 223268253 GFRQNKGNJHMKSU-XZOQPEGZSA-N 454.043 4.677 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 408872160 AEEYEDLMGYFKIX-AQTBWJFISA-N 495.304 4.834 10 40 JJCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408894231 BSSXRJLQBFBVTH-FBJMNJBLSA-N 487.350 4.610 10 40 JJCB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408902992 TYMGDULJUJTDFH-GZTJUZNOSA-N 478.389 4.797 10 40 JJCB COCCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@@H]1CCCN2CCCC[C@H]12 524731451 YKAXHYVEUYDLRX-HFZDXXHNSA-N 482.665 4.789 10 40 JJCB biogenic CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 8820447 VOUFTUPFHDJRFL-RKQKHZQPSA-N 458.634 4.523 10 40 JJCB CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)s1)C1CC1 9672679 UIRRDTDRXTVUQC-UHFFFAOYSA-N 470.620 4.835 10 40 JJCB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 58850035 MKOOQDHYEWWJIL-WZOHSFFVSA-N 491.525 4.951 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1OCC 409203608 ZDEUTVXEWHQSJE-MHWRWJLKSA-N 463.317 4.847 10 40 JJCB CC1(C)C=C(CSc2nc3ccccc3[nH]2)c2cccc3c2N1C(=O)/C3=C1\SC(=S)NC1=O 1554503085 CGRKSVQDDUOREC-ZPHPHTNESA-N 490.635 4.736 10 40 JJCB Cc1cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(OC(F)F)cc1 3352795 AWMJWOSARJBVBH-ONNFQVAWSA-N 469.440 4.864 10 40 JJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N=C2S1 8450646 BIPKZVINARWZRP-QICLDNETSA-N 474.409 4.796 10 40 JJCB N=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3)=NN12 32109363 WTJIQGOMPJAOCC-GGOACEJESA-N 468.538 4.812 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3c(-c4ccccc4)nc4sc(CC(C)C)nn34)C(=O)N=C2S1 41074328 ORGDWRXNZHENHC-HCQBZFMKSA-N 463.592 4.685 10 40 JJCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085986 WEKATSWXWHTQEN-UHFFFAOYSA-N 494.798 4.870 10 40 JJCB O=[N+]([O-])c1ccc(Nc2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 104221473 VRNYBTKKXVYNNK-QZQOTICOSA-N 488.394 4.817 10 40 JJCB O=C(O)/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633900 MZYAYDWNKBAIMG-LDADJPATSA-N 471.926 4.851 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Cl)cc1OC 408853848 YGYJIINACPDKAH-YRNVUSSQSA-N 485.776 4.885 10 40 JJCB CCOc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 409009518 ARTNQMVVWRPQCA-CPNJWEJPSA-N 458.967 4.701 10 40 JJCB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)o2)cc1 3353100 KGZSJHWAYDCDQX-UHFFFAOYSA-N 463.515 4.856 10 40 JJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 8820496 IUMDNKKOHNLQTQ-JXLMVQBASA-N 452.557 4.561 10 40 JJCB Cc1cc(CCNC(=O)CCn2c(-c3cccs3)n[nH]c2=S)c(C)n1-c1ccccc1 12557476 OIUNTXWUAGERMM-UHFFFAOYSA-N 451.621 4.826 10 40 JJCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 17315822 VINDNIVONSQNCL-MHZLTWQESA-N 490.623 4.584 10 40 JJCB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1O 26786808 GJSLTUSQGMIRGJ-UHFFFAOYSA-N 472.371 4.641 10 40 JJCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 33395073 LUGOEFGYULYYQK-NVNXTCNLSA-N 450.339 4.628 10 40 JJCB COc1ccc(/C=C2\C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)cc1C(=O)O 33396928 SNOBFEFWJDTWBN-GHXNOFRVSA-N 468.771 4.572 10 40 JJCB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)SC1=S 33716273 NEGGPMLOPIBQAQ-WQRHYEAKSA-N 462.955 4.884 10 40 JJCB N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084787 QOKXAAHYFFBFNY-WAKLOXMOSA-N 484.379 4.772 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223055934 ZFPDOIOXCUDIKQ-DNQXCXABSA-N 450.608 4.507 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408695810 ZVRXICVFCKSVPV-WOJGMQOQSA-N 459.329 4.977 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)O 409052697 VMHMMJAURSRLPS-MFOYZWKCSA-N 463.964 4.522 10 40 JJCB CN(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 409331642 OBLRLMXTJXILHY-ZHZULCJRSA-N 450.545 4.857 10 40 JJCB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 409348385 SKSQNUOEXWVGQO-IUXPMGMMSA-N 463.378 4.650 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2671810 ZLQXMIWXSIXZOJ-STZFKDTASA-N 490.654 4.703 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O)=C\c1ccccc1 8820613 QCNCDSHSNFNXQH-QIROLCGISA-N 482.583 4.657 10 40 JJCB CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2C1 8856292 IAZXGAHOPSPEPV-UHFFFAOYSA-N 473.392 4.709 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 18137783 ZMVBTOCURJLSMO-XPWALMASSA-N 485.923 4.652 10 40 JJCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102740222 SWQASVHFACEOHY-KCZVDYSFSA-N 485.323 4.759 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 107906124 UTKLIRWWOFQVKG-KGENOOAVSA-N 487.537 4.568 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 408531070 NVMIQUGLVUNYAN-UQQQWYQISA-N 483.520 4.929 10 40 JJCB CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 409049462 WYYZTRQRPBEWNZ-FRKPEAEDSA-N 478.288 4.603 10 40 JJCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 409239404 NENVYQUUZOITBV-YBFXNURJSA-N 484.503 4.648 10 40 JJCB N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccs3)=NN12 9424734 BXDVXYLYEJSAHV-NEVNILGMSA-N 474.567 4.873 10 40 JJCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 9884869 DFDSVGAMAPEFRU-YAJBTMAUSA-N 459.545 4.578 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)S2)cc1 33618367 SXDQFJKWZDNTIF-MTJSOVHGSA-N 480.498 4.656 10 40 JJCB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 54360708 MCEQQYNNIWERJB-FAPYRAKZSA-N 470.019 4.770 10 40 JJCB Cc1cc(C(=O)COC(=O)C2CCN(C(=O)C3CC3)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 62602602 AQIFJYWVRWPDHT-UHFFFAOYSA-N 477.388 4.775 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223480281 WHCMPVLBBBTGQJ-DQEYMECFSA-N 455.587 4.757 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408806116 AUPUXDKQNKCFST-CIAFOILYSA-N 450.853 4.725 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1Br 409086257 GOQJFWPDBMYJEN-VCHYOVAHSA-N 477.380 4.845 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409229913 AAZUHCFKUOFMFO-HMAPJEAMSA-N 465.575 4.669 10 40 JJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 8818995 LPVYRKRHRBEQIE-LZNAANCOSA-N 476.532 4.708 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 9730815 NIUKNKRNMJZCOU-NUIIPWOLSA-N 458.503 4.627 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](c1ccc(Cl)cc1Cl)OC21C(=O)c2ccccc2C1=O 100732328 RHOKYTRDWDMALC-NJYVYQBISA-N 498.362 4.817 10 40 JJCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1cccc2ccccc12 104124144 BXHMMJAQLFVDHE-RVGLIBJPSA-N 487.541 4.716 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 107675244 HVPBRTJGYYSNKB-JYRVWZFOSA-N 494.747 4.744 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc21 225716965 ONMZZZNIDNLLKS-QGZVFWFLSA-N 459.637 4.674 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S 408742737 SKLLICMABONZBU-MOSHPQCFSA-N 494.414 4.996 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 408796470 AISAYXZOPAZCOX-UDWIEESQSA-N 462.889 4.594 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3cc(C)cc(C)c3)C2=O)cc1 408877616 WFYSZNSXXCXAQE-PCLIKHOPSA-N 470.525 4.578 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409072199 MLHVNFRSLFQOCF-KGENOOAVSA-N 482.945 4.922 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 409327513 KKRDVKTXELZKMN-ODLFYWEKSA-N 477.007 4.977 10 40 JJCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 2261080 JDIRFGIVSDSSAP-XMHGGMMESA-N 482.631 4.624 10 40 JJCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 9205969 AZSNOEWRZXOXBG-UHFFFAOYSA-N 450.564 4.644 10 40 JJCB COc1ccc2nc(NC(=O)CSc3nnc(-c4ccco4)c(-c4ccco4)n3)sc2c1 12643018 GFDDOEJUTCAFJE-UHFFFAOYSA-N 465.516 4.741 10 40 JJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 13810563 JSRHHTGEVQRUCU-ATVHPVEESA-N 461.406 4.988 10 40 JJCB O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Cl 18180796 SIFAUZJHQPCUNX-ACRUOGEOSA-N 492.314 4.689 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 38203589 VMPAOYKJFIBXFS-UCQKPKSFSA-N 456.546 4.551 10 40 JJCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 59138836 RYBARVWMWOXUKB-DEDYPNTBSA-N 491.931 4.543 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 408782440 HBTGRPDRZYRAIH-ZVHZXABRSA-N 494.507 4.881 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(OC)cc2)cc1 408993653 DWHIEHXLLGYLOD-XQNSMLJCSA-N 458.514 4.946 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(I)cc1 409041023 ZQTLBFQUGKXEMJ-UXBLZVDNSA-N 478.158 4.793 10 40 JJCB COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8819982 KRBYYSWSKCFSRP-STZFKDTASA-N 484.599 4.824 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 9113653 RNYAPNHAMCEWIO-OXMFYWCOSA-N 456.369 4.886 10 40 JJCB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)o2)cc1OC 9508086 INJXYWBDNWMKTD-UHFFFAOYSA-N 493.541 4.865 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1 108917952 FJTHZQUQMNGVGP-UYRXBGFRSA-N 497.732 4.783 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408530449 LTGJUMRXMYNPQZ-YVLHZVERSA-N 462.980 4.553 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)S1 409088905 HNISOVRGNCWDBK-FRKPEAEDSA-N 466.302 4.587 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C(C)(C)C)cc4)C3=O)c2C)c1 6177825 ABOXYVMURNUMAC-LFVJCYFKSA-N 499.567 4.845 10 40 JJCB O=C1/C(=C2\SC(=S)N(c3cccc(F)c3)C2=O)SC(=S)N1c1cccc(F)c1 8870044 PKLGGCQVKXVXDT-BUHFOSPRSA-N 450.538 4.606 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 27229545 IUDIQGAJYKEUBF-JWGURIENSA-N 460.515 4.647 10 40 JJCB COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 100270852 HRPQQDLPXISVTL-OQKWZONESA-N 473.485 4.867 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223721878 KFNRCPQRZCUUAK-IZZNHLLZSA-N 476.646 4.977 10 40 JJCB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956375 GBGMBZARPOZFLU-UHFFFAOYSA-N 464.561 4.573 10 40 JJCB CCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)cc1 408529059 GVGBSSAXVDPNBT-PDGQHHTCSA-N 456.340 4.961 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl 408804549 ATTWQNPQEOMLTL-KGENOOAVSA-N 476.916 4.984 10 40 JJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 409010734 DHXBXLYVXLNWPX-OYKKKHCWSA-N 455.558 4.979 10 40 JJCB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)cc1 409064996 RMRNKXIOUUKZJF-LTGZKZEYSA-N 458.470 4.570 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)NC1=S 409230331 YHGIPNABODWWRZ-UDWIEESQSA-N 494.414 4.996 10 40 JJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1F 1126271 IDKSQHHQGXCSIT-VCHYOVAHSA-N 493.354 4.672 10 40 JJCB C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1cccc(C(F)(F)F)c1 9335147 HXZJAQQBSDWAAG-ZDUSSCGKSA-N 467.399 4.665 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 12696938 DVNPHGNACHWNMQ-UHFFFAOYSA-N 492.428 4.548 10 40 JJCB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=S 32109606 LDPCUJORZHCVJP-ATVHPVEESA-N 460.386 4.767 10 40 JJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4cccc(C)c4)c4ccccc34)C2=O)o1 107853772 ZMVODWVVJJVTQI-UCQKPKSFSA-N 483.524 4.779 10 40 JJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 223310951 UOABBPLISJGJQQ-FTBPSBKWSA-N 462.619 4.649 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 223773624 VBTQWFMZHPDEPD-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 225518324 DQJOIXVPPMVDER-SXOMAYOGSA-N 497.624 4.801 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC 408805850 LUDDWVBNYIVCTE-UKTHLTGXSA-N 493.741 4.566 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 409022936 IKEZMJKHVDBLBU-YBEGLDIGSA-N 492.753 4.997 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10113618 JSZZTQRKBONDKX-AREMUKBSSA-N 461.587 4.584 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 13549047 HIGGDQSQDHUKBE-UNOMPAQXSA-N 489.329 4.547 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 15009131 SXULAVWNXBRXAO-OVCLIPMQSA-N 454.360 4.940 10 40 JJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 18069376 HTWFYLIVGNAONG-ZLNRFVROSA-N 465.912 4.596 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c(C)c1 32109478 ABGASOTXRBTTFL-AHMVSGTESA-N 488.491 4.943 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1cccc([N+](=O)[O-])c1 59135194 DDODMASGWOHUMC-UDWIEESQSA-N 491.431 4.828 10 40 JJCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100525430 GPVSLWYFGBQFHL-SIUCFOQUSA-N 451.424 4.502 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 1311363 UAAKSIBZAFNXAX-UBFVSLLYSA-N 464.477 4.617 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 20210177 VEKUIKAUXSLGFD-BOPFTXTBSA-N 466.837 4.554 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c(OC)c1 35042993 NFCULROPOCKABT-NDENLUEZSA-N 451.460 4.954 10 40 JJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 58865546 ANNLQCZEIFNMAJ-UHFFFAOYSA-N 462.252 4.761 10 40 JJCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N(C)C1=S 59139433 VHGSJIUFHOTZBS-UHFFFAOYSA-N 469.777 4.825 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1 408872147 LJXHEJRBZNSGFQ-CJLVFECKSA-N 460.917 4.996 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1 409128733 UCGHLJAUQYLQRE-SPMKTWQFSA-N 497.686 4.718 10 40 JJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 9721103 DJYOQCCFWYDUOV-MOSHPQCFSA-N 460.559 4.781 10 40 JJCB Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c(O)c1C 26786891 BAFYPAYKGTUCHR-UHFFFAOYSA-N 486.398 4.949 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cc(Cl)ccc1O 223218364 LIFMPUICTVVHAM-DNQXCXABSA-N 484.069 4.772 10 40 JJCB CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)c1 408754071 PGZZQOMCELVHLZ-XDHOZWIPSA-N 493.313 4.887 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 408817488 UCOFUJFJVLCLJJ-OEAKJJBVSA-N 486.524 4.566 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H]1c1ccc(N(C)C)cc1 408988487 ICHPRFYLYRTAKF-DEOSSOPVSA-N 480.634 4.579 10 40 JJCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cccc1OC 409244355 BJZSFPMVDCHRKH-ZGPWBKFBSA-N 452.576 4.827 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 11582527 KBLRHTXDIOHZOV-HMMYKYKNSA-N 484.599 4.794 10 40 JJCB O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 13576715 XPJMWYPSRSMRCE-CHHVJCJISA-N 473.790 4.958 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1 16050946 HMWKXFFLAPDWIZ-UHFFFAOYSA-N 466.440 4.577 10 40 JJCB Cc1cc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1Cl 41084748 KQKINFFRSQUNNK-OBIPOBMTSA-N 497.024 4.591 10 40 JJCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 112295204 PIUIIXIITXKSHY-BWAHOGKJSA-N 457.530 4.527 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc2c(c1)OCO2 223501892 UJMHOHFXQZBJAS-UIOOFZCWSA-N 483.597 4.786 10 40 JJCB COc1cc(COc2ccccc2/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 408540002 LPCSBXHAOWOJRH-MFKUBSTISA-N 488.565 4.960 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1 408964022 BFUYDBFFIAKMTO-LFVJCYFKSA-N 464.525 4.871 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(OCC)c(OC)cc2Cl)C(=O)N(c2ccccc2)C1=S 409021911 FNBOIVLFDYEDAS-SFQUDFHCSA-N 458.967 4.701 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 26675833 CUILTAFVDGBQNO-GBEVANGZSA-N 478.574 4.881 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc(Br)c1OC 59861617 OPCSVZYBXMKBCQ-OQLLNIDSSA-N 473.323 4.980 10 40 JJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(N(C)C(C)=O)cc4)C3=O)n2)cc1 100525003 KDRICULOUGRSKD-JMSHBIQUSA-N 462.535 4.676 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1cc(OC(C)C)c(N2CCOCC2)cc1OC(C)C 103668050 GSEKNFDROQWGJX-KQWPUEFFSA-N 479.581 4.973 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223504663 FFGGUNWFKUNYAX-ZEQRLZLVSA-N 454.603 4.760 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc(Br)ccc1O 408583300 HCLPSEDNZAVLKE-YVLHZVERSA-N 460.349 4.754 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@H](C)CC 9232964 KNEZPCRKGVWUFY-HFITWMCCSA-N 486.615 4.817 10 40 JJCB COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1Cl 41077888 YERGGWGBOWDYLS-QAGNQREPSA-N 479.924 4.946 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 103811829 ZIDUUSJGPCWFTB-NDENLUEZSA-N 495.337 4.878 10 40 JJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 108172458 NFDLXEUOMPQMRX-WIJRQFRKSA-N 463.317 4.846 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 113830722 PCDAXAZCUWAQJK-DEDYPNTBSA-N 467.294 4.629 10 40 JJCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(Br)c2)SC1=S 256055686 PTKIAQHAOOAIAV-XIDKLXSXSA-N 491.432 4.737 10 40 JJCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408804333 XRDJDRTXRHKAJO-CXUHLZMHSA-N 463.715 4.556 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)c2C)cc1 408981520 BNLLOXCYQTZNFL-JLPGSUDCSA-N 457.530 4.722 10 40 JJCB CC(=O)Oc1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br 409039190 WOCVDNIEJBYENN-YHYXMXQVSA-N 489.194 4.876 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(O)cc1 409074874 NKPIJSGRGRSNPB-GZTJUZNOSA-N 470.312 4.773 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(Br)cc1 2960987 KDSNGZGTCDQUID-PDGQHHTCSA-N 480.405 4.747 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8951594 YPNJJACLKZNXFU-SFQUDFHCSA-N 460.602 4.545 10 40 JJCB O=S(=O)(O)c1ccc2c(/N=N\c3cccc4ccccc34)c(O)c(S(=O)(=O)O)cc2c1 12405066 AIOLRLMFOWGSPL-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB in-vitro C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 13097005 OUMCMDWLBGORER-LBPRGKRZSA-N 468.292 4.953 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 13424011 XRCIGYRXGMHPNP-SYERDGIWSA-N 490.002 4.948 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1Cl 33413232 KCBWOVRBRGHIFR-UDWIEESQSA-N 471.966 4.624 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 59138855 KTBQQTVVIZZPAT-XIEYBQDHSA-N 470.573 4.949 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc(Cl)c1 408816575 YYNSQAAYGDSHHF-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Cc2cccc(F)c2)c1 408884472 UNFGNKBBVFFITL-BUVRLJJBSA-N 458.489 4.708 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@H]1c1ccc(N(C)C)cc1 408987242 FHOOFXNFSTYSHE-QFIPXVFZSA-N 487.025 4.615 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NC1=S 409174638 WBIFCANWLYCWPK-FOWTUZBSSA-N 472.444 4.805 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 409216273 JMOYVYTUAYYPAI-MTJSOVHGSA-N 477.498 4.937 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1O 8820703 WOEWNOHQAJMYAW-PXNMLYILSA-N 469.371 4.644 10 40 JJCB CC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(C)=O)cc4)C3=O)SC2=S)cc1 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10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408811353 QRJBXJGIUHZTGG-LFIBNONCSA-N 463.715 4.558 10 40 JJCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408855860 GBSGCLXEJDAXTC-PTNGSMBKSA-N 457.338 4.987 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)OC 409345657 IQYJXMHQQCYGHB-RQZCQDPDSA-N 481.954 4.835 10 40 JJCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)c1 1302988 KMGCIMCDYCWRNU-DEDYPNTBSA-N 488.496 4.798 10 40 JJCB COCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 2298374 JLLYOFSVPDYCGQ-UYRXBGFRSA-N 453.541 4.808 10 40 JJCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 9346002 ZOGDSKDJSYDOFP-CYVLTUHYSA-N 470.664 4.773 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 40940262 IEQQBHGCHQCCQY-PDGQHHTCSA-N 462.980 4.684 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C 41108498 BSNVWWVNTYZDTK-UCXLZHGVSA-N 469.570 4.965 10 40 JJCB 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471.365 4.982 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(C(=O)OC)=C2C)cc1 409019652 VKSMPPTWKOHXDQ-UYRXBGFRSA-N 470.319 4.503 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 409206691 VTRCDDLSJJGHHS-BKUYFWCQSA-N 492.373 4.857 10 40 JJCB CC(=C/c1sc2oc3ccccc3c2[n+]1CCO)/C=C1/Sc2ccccc2N1CCO 6013705 KGPIVICQPFZFDV-UHFFFAOYSA-N 451.593 4.777 10 40 JJCB Cc1cc(I)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 15947792 FKIJYTAQWCFXFX-ZKANADHPSA-N 454.333 4.920 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]23)cc1 100414898 HCLXKQQBAXTDEU-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2C)cc1 106709403 MAUWPYGUAJJBHI-HMAPJEAMSA-N 461.543 4.778 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OC 110422509 KUOORVHNOKLAKI-LSCVHKIXSA-N 493.050 4.806 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408879282 CTXVNHSPNYUVGU-UNOMPAQXSA-N 493.928 4.659 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 409229746 UNTUFVWYOIUIOA-HYARGMPZSA-N 476.964 4.841 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 409229815 VIXXWSYLVUPKAS-WJDWOHSUSA-N 481.917 4.956 10 40 JJCB O=C(Cn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccccc1 8741183 CIRPEJGBTBTGHX-HYARGMPZSA-N 498.926 4.804 10 40 JJCB C[C@@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N(C)Cc1ccc(N2CCOCC2)cc1 12536491 GRFQVGQMJITLMT-INIZCTEOSA-N 466.632 4.743 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 17994568 ZMVBTOCURJLSMO-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 108026837 SBNDXOMMZIJRNU-NGWPFTMJSA-N 472.994 4.974 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)SC1=S 108919038 SKEAHZCQKIQGSR-YVLHZVERSA-N 478.389 4.947 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc12 408759882 NJOPCJSIIBARCH-LDADJPATSA-N 465.303 4.586 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccc(F)cc2)c1 408800452 MJFCTJGDQXFBEU-LPYMAVHISA-N 474.488 4.697 10 40 JJCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(C(=O)O)c5)c4C)c(=O)n3c2cc1C 408936744 FWMAXJNANRFOBN-YVNNLAQVSA-N 477.973 4.833 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@@H]1c1ccc(N(C)C)cc1 408992242 SNQDBHFBNHGJSE-XMMPIXPASA-N 480.634 4.579 10 40 JJCB O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 409203757 YRGYEGCMSHXLNW-OCKHKDLRSA-N 479.495 4.917 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1 409233256 UKHIOJBLXHNGTA-JJFYIABZSA-N 479.533 4.917 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O 409233809 HQPFGLXERRIKBH-CJLVFECKSA-N 457.530 4.722 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409247633 DYALFKAKKKVWPH-GXDHUFHOSA-N 488.308 4.993 10 40 JJCB Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)o2)ccc1Br 1088468 XUBOKCMYWMEKBH-ATVHPVEESA-N 457.324 4.812 10 40 JJCB COc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4ccc(C(=O)O)cc4s3)C2=O)ccc1O 1092241 GHUPYNCVQPIPMA-WQRHYEAKSA-N 471.494 4.543 10 40 JJCB COc1cc(N2C(=O)N=C(O)/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)c(OC)cc1Cl 2982341 ACXCPKBDVDITCO-ZSOIEALJSA-N 474.897 4.660 10 40 JJCB Cc1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 4244457 CJXIHFXRIUPYED-UHFFFAOYSA-N 454.327 4.590 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)SC1=S 107777171 SVHJLEUZFZPGLC-YVLHZVERSA-N 463.964 4.847 10 40 JJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 223311102 UOABBPLISJGJQQ-TUSQITKMSA-N 462.619 4.649 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223619617 UMBGDCJGPCAWSC-IZZNHLLZSA-N 477.678 4.690 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c(C)c1 408934066 LATQIZMNFWDJHH-XKZIYDEJSA-N 477.948 4.935 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 8411328 SESITMKULPCIBJ-KHHNAJNHSA-N 489.340 4.860 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)N=C2O)cc1 8914410 ZOSLZJLBOQUSSH-LFIBNONCSA-N 451.822 4.687 10 40 JJCB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 10113111 OWKPMKGVSBQDDU-UHFFFAOYSA-N 498.048 4.842 10 40 JJCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 10350045 DYBPBJWUXBDMCK-UHFFFAOYSA-N 465.547 4.606 10 40 JJCB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 14086083 QKRYBAQUOFTGSJ-HXUWFJFHSA-N 479.646 4.754 10 40 JJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)c1 33850107 MPGHQOUCEDRNJQ-HMAPJEAMSA-N 451.592 4.760 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC 59959381 CTBYUVQJGBJBCM-UNOMPAQXSA-N 456.336 4.639 10 40 JJCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc(Br)cc1 408773456 KWAHDVOJZXQMGJ-KPKJPENVSA-N 473.632 4.788 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc2ccccc2c1 409211699 NXFDAJDKQHXAJZ-MFKUBSTISA-N 482.515 4.918 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 409340414 WRQGBGXGAGFTPR-PXLXIMEGSA-N 476.579 4.820 10 40 JJCB Cc1cccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2238650 GUJVZZOFNUGDKG-JLPGSUDCSA-N 483.499 4.834 10 40 JJCB CCOc1ccc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 2418638 AKEFVEWFJATCSY-ZHZULCJRSA-N 461.509 4.897 10 40 JJCB CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 12635368 KFCFKCPPSKEAGR-UHFFFAOYSA-N 493.032 4.856 10 40 JJCB O=C1N=C(O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 13748831 LJANPLWACDDTLM-GXDHUFHOSA-N 471.252 4.822 10 40 JJCB COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=N)N2N=C(c3ccccc3F)SC2=NC1=O 41077887 ZLOXKYLQGVHOPP-MCAYKAOUSA-N 479.924 4.946 10 40 JJCB O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)C1(O[C@H]2c2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1=O 100732320 RHOKYTRDWDMALC-HBMCJLEFSA-N 498.362 4.817 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222906409 ADOUYCCYFBQHSF-RRPNLBNLSA-N 489.689 4.954 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc2c(c1)OCO2 223465701 XTGCIMWATZNVID-UIOOFZCWSA-N 483.597 4.786 10 40 JJCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408892912 AIWYNTWDFWKLIO-PDGQHHTCSA-N 465.303 4.586 10 40 JJCB CCOc1cc(OCC)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Br 409079190 KJYQQZWHSVBRKE-OLWAXZHHSA-N 472.426 4.627 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)c1cccs1 409329134 CXPNLUSSRHZVCT-CPNJWEJPSA-N 452.582 4.873 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccccc1C 409339349 HRDPZQDPBUKXHY-DEDYPNTBSA-N 456.589 4.632 10 40 JJCB COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409353032 ZYTRUBUKQIYCBY-FRKPEAEDSA-N 450.335 4.592 10 40 JJCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)C2=O)cc1Cl 8426190 NQYZSEQVRUQNIZ-MOSHPQCFSA-N 464.905 4.935 10 40 JJCB CCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)nnc1-c1ccncc1 8860903 FLEUHBGJLJBLRE-UHFFFAOYSA-N 475.574 4.514 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1C 12285097 ZVCOYIFHWPGJRS-XPWALMASSA-N 485.923 4.652 10 40 JJCB CCCOc1c(I)cc(/C=C2/SC(=S)N(CCC)C2=O)cc1OC 409339709 KZAWFRFYLCRZME-GXDHUFHOSA-N 477.389 4.700 10 40 JJCB CCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 113864538 DBFMBMPSSHZXAW-YBEGLDIGSA-N 462.287 4.505 10 40 JJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2[C@H](C)CC1(C)C 260565390 IJOFVOAIUWTCCU-MBTVCVBTSA-N 475.545 4.582 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)C2)cc1 260905798 SHGBRNYTUXQEAZ-ZDXQCDESSA-N 483.678 4.509 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(I)cc4)o3)C2=O)c1 408739966 HCDRBNMLZFOPNU-LDADJPATSA-N 498.276 4.526 10 40 JJCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 408824102 GZZDROCAKACQRW-GDNBJRDFSA-N 452.816 4.814 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 408938714 RFADJOCCAMGLLV-WOJGMQOQSA-N 483.307 4.944 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c(C)c1 409124680 CASZBSIDOLJJIG-HZHRSRAPSA-N 472.614 4.608 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S 409130712 XOPSXHYFTWFRHP-UUYOSTAYSA-N 463.628 4.815 10 40 JJCB COc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1OC 1108119 XLICEIDEZVOAMW-UHFFFAOYSA-N 456.498 4.904 10 40 JJCB COC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9292202 JNIJLEPTRJTOKD-KMDXXIMOSA-N 469.924 4.946 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 9339698 KWWLQRAZUIFFMX-JLPGSUDCSA-N 465.509 4.755 10 40 JJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OC(C)(C)C)cc4)c3C)C2=O)o1 108002372 BLQQZOBDHVXXKO-HMAPJEAMSA-N 491.544 4.744 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 408758549 MHYBVULFOKKNOW-SFQUDFHCSA-N 469.316 4.860 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408812412 WNWZNDJFJHLOIF-FYJGNVAPSA-N 491.887 4.802 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1cc(C)cc(C)c1 408881131 IAKHDOYWXWVDJX-BUVRLJJBSA-N 454.526 4.878 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409107989 UUDKQTYAAHUAON-QGMBQPNBSA-N 450.919 4.875 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(O)c1 8819988 DBURHNNZVKZRDI-NDENLUEZSA-N 470.572 4.521 10 40 JJCB CCc1cc2c(oc(=O)c3cnc4c(sc5nc(C)cc(C)c54)c32)c(CN2CCOCC2)c1O 32502206 FQWALIFKMHHPSR-UHFFFAOYSA-N 475.570 4.821 10 40 JJCB biogenic CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC 35039398 CBSGCDPYGIGTAO-KGENOOAVSA-N 459.589 4.555 10 40 JJCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422857 RRBPNNWFRVVXPU-CAOOACKPSA-N 477.449 4.898 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccccc1 408528546 BMSROBFUFNAOBC-XSFVSMFZSA-N 490.899 4.624 10 40 JJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408535528 YUBJEKDDFLQKGD-KAMYIIQDSA-N 471.348 4.894 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OC(C)C 408806896 CCCZVLQIAAGWNK-MDWZMJQESA-N 493.741 4.565 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408994433 HOPOYBIRLUMDAT-UHFFFAOYSA-N 477.948 4.760 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409221928 VVSNEEGIJHSMRC-NBVRZTHBSA-N 469.419 4.561 10 40 JJCB Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 640859 DOPOYCIMFBVKKB-KGENOOAVSA-N 463.331 4.798 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1Br 1264267 MFIAHOALNQFWHG-PTNGSMBKSA-N 451.367 4.662 10 40 JJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(F)c1 13025067 SFGPIZLLUGBODX-AREMUKBSSA-N 491.563 4.702 10 40 JJCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 13673974 CRZXQQJEPYFMJG-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N=C2S1 33673652 DZZHKEVBRXLPMG-XRRPQMRDSA-N 472.530 4.873 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(Br)cc1OC 59135496 PWPNUFDRFSZIEP-RIYZIHGNSA-N 463.259 4.502 10 40 JJCB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408532080 IASNGHRXGWQGMM-JMSOWIFXSA-N 490.943 4.609 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 9446112 YNFDAXPAVKAYGJ-ZHZULCJRSA-N 495.651 4.973 10 40 JJCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1OC 12274920 SQJFVYNLNYDAID-XNTDXEJSSA-N 454.367 4.503 10 40 JJCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2ccccc21 20059176 FCILAVLPAJIILJ-UDWIEESQSA-N 464.363 4.543 10 40 JJCB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1 21375512 XJEXBMHGIYXCMV-KRWDZBQOSA-N 482.565 4.779 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S 408726851 NHTOSTCILDUUFJ-WJDWOHSUSA-N 495.363 4.732 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O[C@H](C)CC 408918060 FPZPMGGGRYJEDN-OMJMQIJPSA-N 476.957 4.886 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 408982648 DQFZPZRLTACQKQ-LDADJPATSA-N 464.861 4.527 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12 409235043 ASMPNPCSQYGQCM-XDJHFCHBSA-N 461.974 4.925 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8819691 ITRLLGXYAZJLMF-CYVLTUHYSA-N 455.561 4.995 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(OCC)c1 110422786 BCXVAXDCEZBASB-UFFVCSGVSA-N 486.659 4.933 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)nc1 223468521 WSLPPFOJPDMCEI-LOSJGSFVSA-N 454.603 4.760 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)N(c2ccccc2)C1=S 409021330 BUPSGAOEWCZQAA-LTGZKZEYSA-N 474.538 4.687 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(O)=NC2=S)cc1 1161007 QMHDBTPOZKMFOG-BKUYFWCQSA-N 490.541 4.991 10 40 JJCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCC(c1ccccc1)c1ccccc1 1884537 KUIYBVKIRXGJMS-LKUDQCMESA-N 473.642 4.816 10 40 JJCB CN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Br)cc3)cc2)SC1=S 2962967 HGHOCMVIEKDEPP-ATVHPVEESA-N 450.379 4.738 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCCC3)C2=O)cc1 8820095 AKSGWEYMBVXBCC-JZJYNLBNSA-N 474.648 4.637 10 40 JJCB CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4ccc(C(=O)O)cc4s3)C2=O)cc1 8863600 OBRIADJSXCKUMU-STZFKDTASA-N 468.538 4.895 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(Br)cc1O 9296294 IGOKCIDDYCJLHC-WQRHYEAKSA-N 464.406 4.997 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S 26967225 DHUGPPDGACOIJP-OVHOFWQVSA-N 481.854 4.755 10 40 JJCB Cc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(C)n1-c1cccc(Br)c1 62606405 UZTDDLPYQLHZCL-UHFFFAOYSA-N 478.394 4.919 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1 408740048 HZSKCPUENSMJFR-PDGQHHTCSA-N 481.302 4.693 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 408879868 HNLVORPIJPJYGH-MTJSOVHGSA-N 493.516 4.606 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC)c(OCC)c3)C2=O)cc1 408895711 FHMULBRHHROBKQ-PDGQHHTCSA-N 472.925 4.593 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C1=O 408954497 XHJPCHXWBUPMKV-UDWIEESQSA-N 491.931 4.675 10 40 JJCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1OCC(=O)O 409202762 RZYIRQQFNFWCEY-MFOYZWKCSA-N 479.963 4.617 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c(C)c1 9460867 HYJHLMKITAAXMO-FSWFDUBRSA-N 497.580 4.824 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1ccc2c(c1)OCCO2 9469459 DZHYDBMWGKGXFY-UHFFFAOYSA-N 453.545 4.952 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408803776 AINKBKJUVWZNSN-LFVJCYFKSA-N 456.498 4.719 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409140239 QCPNALXBRNVKRM-WSDLNYQXSA-N 480.517 4.933 10 40 JJCB COc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c(OC)c1 15412980 VZWYUQMYMURFFM-MHZLTWQESA-N 473.573 4.508 10 40 JJCB CCCCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16741777 IRXFBBBMRDHGDD-DEOSSOPVSA-N 472.651 4.541 10 40 JJCB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 95945149 BMPDKBBAAAWUNT-VWLOTQADSA-N 479.602 4.618 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc2ccccc12 223614100 UZQGUPFKDBGASL-IZZNHLLZSA-N 456.615 4.997 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 223659861 MCYROZMGPBMHDZ-AZGAKELHSA-N 476.646 4.896 10 40 JJCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O 408829541 ONLQKKLLDZCZEB-HYARGMPZSA-N 476.916 4.902 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1Cc1cccc(F)c1 408870552 VYFCSSAHNALINH-KGENOOAVSA-N 479.305 4.845 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 408899740 QDSDDFSWKPZJPP-UNOMPAQXSA-N 486.952 4.981 10 40 JJCB COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)SC1=S 28048169 APPBDKMRVFBWKL-YBFXNURJSA-N 495.981 4.831 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccco1 33295267 CVFJPCAVIXRITP-MOSHPQCFSA-N 451.525 4.909 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1OCC 33659202 PBPYQFVLYAKOHS-ZHZULCJRSA-N 466.490 4.660 10 40 JJCB COc1ccc(N2CCN(Cc3nc(-c4ccc(OCc5ccccc5)cc4)no3)CC2)cc1 57427825 ZVJWXOGIGTYTKG-UHFFFAOYSA-N 456.546 4.646 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59136203 KNKFKKFVIXTHDC-WOJGMQOQSA-N 477.517 4.911 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 107890054 GHNTYIDGLMNUSU-JLPGSUDCSA-N 465.465 4.788 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 223713466 FTYAKFUFCSEZQA-RPWUZVMVSA-N 464.635 4.639 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Cl)cc1OC 409076036 WTQCCRCMLOFVGU-YRNVUSSQSA-N 469.708 4.721 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)c1 409098819 QNJCFSSFUJODJK-ZVHZXABRSA-N 456.546 4.551 10 40 JJCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 409330214 JUQKOZGCDDXDLF-WJDWOHSUSA-N 466.369 4.763 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 409340299 UJXIMDDCTQEJER-PDGQHHTCSA-N 484.946 4.585 10 40 JJCB COc1ccc(N2CCN(C(=O)Cc3csc(SCc4cccc(Cl)c4)n3)CC2)cc1 8938068 RFPPPDVCWJMSLV-UHFFFAOYSA-N 474.051 4.989 10 40 JJCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OCc1ccccc1F 58866233 HIPHZMNBDDCBOS-UHFFFAOYSA-N 491.309 4.930 10 40 JJCB COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221754 NKHGRSSWPYOSKU-KRWDZBQOSA-N 478.522 4.994 10 40 JJCB biogenic O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 408846028 IEEACFDBDCYFQW-WYMLVPIESA-N 464.374 4.798 10 40 JJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408998504 QTWALAHEQZRFOD-OLWAXZHHSA-N 470.319 4.612 10 40 JJCB CCN1C(=O)/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 409010438 KMDGMRNKFIJNEC-CJLVFECKSA-N 479.005 4.760 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)c(C)c1 409134597 WMWLDQMQKTUUKY-CJLVFECKSA-N 455.583 4.888 10 40 JJCB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc2c2c1CCCC2 1614472767 HVGLMGJCHJOAAV-RZBPVFHSSA-N 460.618 4.772 10 40 JJCB biogenic Cc1ccc(C)c(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2263534 ADUMAFPZQYXZDU-JLPGSUDCSA-N 497.551 4.982 10 40 JJCB COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 9191254 PYCQOOQIHFELCV-UBRKHCEVSA-N 496.563 4.877 10 40 JJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 9794542 RZGOTXBBUDBTFZ-UHFFFAOYSA-N 489.601 4.875 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(C)c1 12868145 IRVRMOUMRAIYRK-PXLXIMEGSA-N 462.546 4.767 10 40 JJCB O=C1/C(=C/NCCc2c[nH]cn2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 100432732 XHMSCLBDKDIEIH-LDADJPATSA-N 495.033 4.884 10 40 JJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222860800 IGUQKIPGBKENQW-FTJBHMTQSA-N 475.662 4.708 10 40 JJCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1OC 408586601 OCPGNCVQDRCZOE-WQRHYEAKSA-N 461.436 4.990 10 40 JJCB O=S(=O)(c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 408838056 QXGNSOFRTSEGKS-LQWHRVPQSA-N 464.509 4.553 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1F 408966351 LZEUCLQLHVQFJQ-MHWRWJLKSA-N 471.916 4.857 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S 409083386 AHHLIEGWNRIMIK-FOWTUZBSSA-N 457.958 4.609 10 40 JJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1Br 409348180 OCNSWMNSICGLRS-MFOYZWKCSA-N 494.798 4.844 10 40 JJCB CC(/C=C1\SC(=S)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)=C\c1ccccc1 8820644 BWSYSBIWSNKXMV-SBNPHVCFSA-N 452.645 4.919 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)o3)c2C)cc1 9338605 OPXJVXBQBUZFMJ-HSZRJFAPSA-N 477.542 4.973 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 13898180 UDCBZQNVIQHUGP-SVKNRIHUSA-N 478.574 4.818 10 40 JJCB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(C)=O 223909121 DABQVYOGTWXAOW-SJORKVTESA-N 461.653 4.643 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1F 408898523 WNHFXHPUUHXUHR-DEDYPNTBSA-N 474.488 4.697 10 40 JJCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 408952575 LWCVONTTWJRHRO-GHRIWEEISA-N 485.396 4.681 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408966354 MAIIUGULOHDJCJ-ZDLGFXPLSA-N 498.923 4.626 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 409193796 LVAJEIXUSQKFFO-LPYMAVHISA-N 480.362 4.958 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409229393 OLLWQTGFLMLEOT-YDZHTSKRSA-N 492.576 4.974 10 40 JJCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409232446 HULWLOONVFFHFK-QGOAFFKASA-N 455.461 4.636 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409239664 IEBUOESWAIGIFU-PXLXIMEGSA-N 457.530 4.776 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2418285 LASCAQOQZKGPDP-DHDCSXOGSA-N 478.382 4.933 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)cc4C)N=C3C)cc2)cc1 8575142 NXCLLMMVOBXIRV-LFVJCYFKSA-N 490.585 4.831 10 40 JJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 9075766 JHSWLIJPKXYPAM-PDGQHHTCSA-N 451.573 4.652 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 14920977 WDGJVJHAUQOEEB-HAHDFKILSA-N 496.976 4.868 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 41078508 NDOAHZJBRASBPM-JKGLIZDUSA-N 469.950 4.970 10 40 JJCB Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 100415086 YZBWQPDPHWSKLN-VABKMULXSA-N 485.923 4.652 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102755871 KBNJRCDQXSCABO-ACRUOGEOSA-N 499.748 4.859 10 40 JJCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1Br 106953520 GCQVZHICZOVURU-NDENLUEZSA-N 450.361 4.627 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222837087 MXXRHMQIUJIRCV-XZOQPEGZSA-N 465.579 4.787 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C 222880861 ZPKBYKBJZKVFBW-GOTSBHOMSA-N 465.579 4.788 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(OC)cc4OC)o3)CC2)cc1 224936787 YRMBJEUZVRUXED-UHFFFAOYSA-N 499.567 4.997 10 40 JJCB Cc1ccc(O)c(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c1 257230430 GCHCLRWEYSZBBQ-HHHXNRCGSA-N 487.040 4.573 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1 408903022 NYIKIKSFRRZIKH-LDADJPATSA-N 460.287 4.750 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409231693 FPIUGWDWRXKAEI-UOEVCUDDSA-N 452.576 4.827 10 40 JJCB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 3383958 DZNTWFZPWDHVSS-UHFFFAOYSA-N 482.558 4.542 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3436784 FDRRSINQAHGZSS-VWLOTQADSA-N 499.539 4.723 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1cc(OC(C)C)c(N2CCOCC2)cc1OC(C)C 8450756 GSEKNFDROQWGJX-DEVZUPFRSA-N 479.581 4.973 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 9373045 IZAJWGYPNCPOCR-SBGXLDQMSA-N 490.654 4.641 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223056841 SATVMWDXNXCMEA-RPBOFIJWSA-N 463.651 4.564 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223689165 SNVPVYHJLNMXBI-XZOQPEGZSA-N 469.010 4.678 10 40 JJCB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NC(C)=O 225602019 CKUFQGCCOQEZFD-QGZVFWFLSA-N 461.653 4.643 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)c(C)c1 408758245 XFFSSBMJUPAZGP-HZHRSRAPSA-N 464.525 4.926 10 40 JJCB Cc1cc([C@@H]2NC[C@H](C(=O)O)S2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408975670 BYTJHKJWPPLVHA-NHCUHLMSSA-N 455.561 4.942 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409143030 YOQRCMDTVFJSQN-WSDLNYQXSA-N 480.517 4.933 10 40 JJCB COCCN1C(=O)[C@@H](Cc2cc(Br)ccc2OCc2ccccc2F)SC1=S 409147350 WTBYEMBAAJGPAD-GOSISDBHSA-N 484.412 4.585 10 40 JJCB CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025225 GJCLRZHXTXWAHS-AREMUKBSSA-N 473.573 4.995 10 40 JJCB CCOc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 13081209 BHHDHGGVLLCDRX-NDENLUEZSA-N 474.429 4.688 10 40 JJCB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)s1 13134548 ZIJKCCWRUAULQV-UHFFFAOYSA-N 478.492 4.639 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 13575964 KPKLQNKOQWILSR-QNGOZBTKSA-N 496.976 4.868 10 40 JJCB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2OC)cc1 408577521 SXPJTUHEQFQUQF-BKUYFWCQSA-N 470.616 4.885 10 40 JJCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13602619 SCECYHBFVBFMAP-UNOMPAQXSA-N 488.412 4.800 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)cc1 26593422 WHMFKUQEDWAYQZ-JWGURIENSA-N 473.616 4.699 10 40 JJCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 33149433 YZLIIAQAQBBQFN-LDADJPATSA-N 477.517 4.911 10 40 JJCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccc(Br)cc23)C1=O 59087286 RFMUPGWGJGOEIJ-VCHYOVAHSA-N 452.308 4.774 10 40 JJCB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408892486 ZVFKKIFQUXVSJF-LPYMAVHISA-N 476.916 4.908 10 40 JJCB Cc1ccccc1OCCCn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409194431 BUGDBRYOQWAFOM-QJOMJCCJSA-N 471.557 4.823 10 40 JJCB O=C1C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 1452134 DABKSJXPBRTMGZ-GKNGCNNXSA-N 488.512 4.795 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N=C2S)cc1 8744447 WOAMSQSMAVGJQT-HYARGMPZSA-N 473.554 4.597 10 40 JJCB O=c1oc2ccc(Br)cc2cc1-c1csc(NS(=O)(=O)c2ccccc2F)n1 9738840 YESIXDIAJIUAAK-UHFFFAOYSA-N 481.324 4.619 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2F)cc1 10113132 QNHBDBAMSZNVPW-UHFFFAOYSA-N 495.620 4.636 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 33775909 HOIVSWJCFRWQFH-MOSHPQCFSA-N 493.357 4.888 10 40 JJCB COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)c2C)c1 40069563 ASQUGAVAZCCYON-UHFFFAOYSA-N 497.617 4.538 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 13942507 JINZIJUNQMGUIU-JWGURIENSA-N 478.932 4.658 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1 59135354 LILISBSAKNAJPZ-CIAFOILYSA-N 475.476 4.835 10 40 JJCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103919909 SBFWVXBNVKNOTC-ODLFYWEKSA-N 463.277 4.553 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408781710 DDGOXRYWLYUPHX-OVCLIPMQSA-N 477.742 4.784 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccccc2)c1 408799954 LZXNZLBMIQWTDF-CPNJWEJPSA-N 462.889 4.594 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC(C)C 408810941 JUIUKYXOHCQDTO-LICLKQGHSA-N 456.926 4.809 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Br)c1OC(C)=O 8444179 LGTBNYSAWVUANP-PXNMLYILSA-N 463.715 4.843 10 40 JJCB CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3sc4c(c3c2=O)CCC4)cc1 9613227 RYWKNPRWPRGCFT-UHFFFAOYSA-N 494.594 4.721 10 40 JJCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1 13757955 DFZSPYYUOSNLDT-OWLAEVIISA-N 474.586 4.627 10 40 JJCB CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59135734 FQQYTUJWPMJLQS-XYOKQWHBSA-N 479.327 4.667 10 40 JJCB CCOC(=O)/C=C(\C)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(Br)ccc1O 80325207 AZNYBBYHTYYUBB-IXDOJHRFSA-N 459.340 4.781 10 40 JJCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 97990776 XVGOYKUONAYKPE-DEDYPNTBSA-N 451.504 4.707 10 40 JJCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 101155940 HTWFYLIVGNAONG-VABKMULXSA-N 465.912 4.596 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222944540 UZXVEDKNYFZEGU-BJKOFHAPSA-N 462.619 4.904 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408695696 XMJXULXVYBJREW-XDHOZWIPSA-N 487.325 4.572 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 408935089 GMVLXBUHORVGJQ-MOSHPQCFSA-N 495.304 4.834 10 40 JJCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409210413 JRCIUYITQIIGSU-LBFZPMSMSA-N 463.895 4.676 10 40 JJCB COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@H]1CCCN2CCCC[C@H]12 1565519774 HFNPXFFLCDZSRF-HOYKHHGWSA-N 489.056 4.744 10 40 JJCB biogenic CC(C)n1cccc1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524238 GUZCETMCXKRQOT-GDLZYMKVSA-N 495.627 4.877 10 40 JJCB Cc1ccc(OCCCOc2ccc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)cc2)cc1C 8738785 MSZXYSMSXCTPCA-LFVJCYFKSA-N 474.513 4.611 10 40 JJCB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9661823 ZOMPPZKJDBKRRG-UHFFFAOYSA-N 475.507 4.711 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 12285344 YSTPAISGZQMKBA-HPFDFQMNSA-N 484.965 4.836 10 40 JJCB CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 13073963 OFQMXLJIUSQZOS-GYXHFJGISA-N 459.545 4.589 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCSc1ccc(C)cc1 13552176 HJEMEBYLGQZGIG-JWGURIENSA-N 460.555 4.636 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222944284 QYVNIMIHAXRQRE-BJKOFHAPSA-N 462.619 4.904 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 408802982 JXWKXNJRJCKHKJ-GZTJUZNOSA-N 457.324 4.521 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 408876010 MCWNWCHOGPUZPL-DEDYPNTBSA-N 479.305 4.845 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc34)C(C(=O)OC)=C2C)cc1 409013682 CSQQIKCWDJRXOH-JCMHNJIXSA-N 457.482 4.599 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c(C)c1 409200825 JHVTVPLSBMHOPP-CIAFOILYSA-N 476.510 4.937 10 40 JJCB CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 6142941 LKHDLKHHHHINOD-HXUWFJFHSA-N 495.475 4.513 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@H]1CC(c3cc(C)ccc3O)=NN12 10214531 YEZDQRHHGOGIHV-OAQYLSRUSA-N 465.550 4.591 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260927042 XWFSYUSIHMCXHP-FCHUYYIVSA-N 457.043 4.986 10 40 JJCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccc(Br)cc23)SC1=S 409127002 OUMWFCQTLBEORC-ZDLGFXPLSA-N 492.464 4.637 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)cc1 409230815 FWIIWBYTZSKPSU-QGOAFFKASA-N 478.888 4.752 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)SC1=S 409376579 ZQZLNCDPAIWQLA-YVLHZVERSA-N 478.389 4.947 10 40 JJCB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 9235708 XTGFEVZOJFEYIG-LICLKQGHSA-N 491.432 4.914 10 40 JJCB CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025221 SAYTXHRBANOVEX-AREMUKBSSA-N 488.588 4.751 10 40 JJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 59959606 KOKQNGYVBVWTEJ-ULJHMMPZSA-N 480.605 4.520 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(F)cc1 102759812 GOSURHXZEBZUIP-DYXWJJEUSA-N 473.287 4.889 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1O 223302258 BDHKHDBHDNWPQQ-NWVWQQAFSA-N 483.037 5.000 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223480843 GMZKODQODXAJEP-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 223722271 DPQORIIRVVLPMZ-BJKOFHAPSA-N 466.582 4.554 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4cc(C)cc(C)c4)c3)CC2)cc1 224197920 CFWJVUYXLYBLBT-UHFFFAOYSA-N 460.574 4.862 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408768280 DROJOFKMSACVCL-DEDYPNTBSA-N 450.853 4.725 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 408782836 JZDFYJPZRIKAKM-UDWIEESQSA-N 478.892 4.631 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br 408802338 ZGWHBVUAJQCRLF-KPKJPENVSA-N 484.133 4.821 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1ccccc1F 408871973 IPHTWLLYZBZOOA-LDADJPATSA-N 464.880 4.745 10 40 JJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409199097 NSAVOCIHASXEJS-HMAPJEAMSA-N 477.611 4.968 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409228839 FWULATJMZQVCNM-UNOMPAQXSA-N 478.892 4.631 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C(=O)NC2=S)cc1Cl 409237901 XVFIDWWPPRFYJF-WOJGMQOQSA-N 480.929 4.746 10 40 JJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409335099 YSRIUFQDTCOZLQ-MFOYZWKCSA-N 496.379 4.936 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OCC 409351053 XFSYLXIYLZKACH-MOSHPQCFSA-N 457.573 4.741 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3F)C(=O)NC2=S)cc1 409377320 GGLRWNLPXDMWAZ-RCCKNPSSSA-N 460.530 4.798 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 852798 REJTWMRAYBQONB-MOSHPQCFSA-N 464.319 4.523 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2F)[C@@H]1C(C)=O 9309421 FONIOBIYPHOURF-GSDHBNRESA-N 495.506 4.773 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)CC2)cc1 9747270 ULBISNBETHCKKB-UHFFFAOYSA-N 455.562 4.650 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCOCC1 9851268 JDGRFDQKBUEWJP-XIEYBQDHSA-N 463.537 4.719 10 40 JJCB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O 13564091 ZQVVEGPXOYZNGS-HAHDFKILSA-N 452.576 4.637 10 40 JJCB CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136144 DTVWYCCMSVQSNH-XYOKQWHBSA-N 479.327 4.667 10 40 JJCB O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)NCc1ccccc1 408574969 NGOHXVJZJCNMDR-ULJHMMPZSA-N 488.634 4.826 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1 408771508 GWEQFKZBECAQNQ-HYARGMPZSA-N 456.498 4.557 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1C 408852879 WWEXNCARNVIAAV-UDWIEESQSA-N 459.458 4.755 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1 408873920 XEXJAKMNDVPBLD-XKZIYDEJSA-N 479.533 4.917 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408997876 OSDWBTXIJPYPQY-ZHZULCJRSA-N 455.352 4.782 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)NC1=S 409008188 WCXYTPNLEWDETR-SXGWCWSVSA-N 481.799 4.768 10 40 JJCB COCCN1C(=O)[C@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 409160341 GRYKCILJKJAOIU-SFHVURJKSA-N 484.412 4.585 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c1 409243561 SMWJCWSXHHCZJQ-CIAFOILYSA-N 488.569 4.759 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Br)s1 111459465 SSWZBENAFNMVBG-SOFGYWHQSA-N 462.177 4.649 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 223429943 WNXNTALCQZSWTJ-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC 408983923 OKCVYUGDFRFSBA-NVNXTCNLSA-N 463.317 4.766 10 40 JJCB COc1ccc2c3c(n(CCCN(C)c4ccccc4)c(=O)c2c1OC)-c1ccccc1C3=O 604404453 HGZNWJRXNBELDP-UHFFFAOYSA-N 454.526 4.757 10 40 JJCB biogenic COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1 2399166 DFZSPYYUOSNLDT-SOCDCLKXSA-N 474.586 4.627 10 40 JJCB CN(C)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1 9090344 JPLQVZWJRAZXID-XMHGGMMESA-N 491.585 4.974 10 40 JJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408777927 MFMGHLIBCADPSL-JLPGSUDCSA-N 492.547 4.849 10 40 JJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 409346225 MZFBRTCGYFZBIA-WQRHYEAKSA-N 492.416 4.792 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 8820002 VBZBHTGSBHJMBT-MOSHPQCFSA-N 498.582 4.514 10 40 JJCB N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 9454412 QNWUWNKDSFYPCI-FJVWWGQZSA-N 492.564 4.783 10 40 JJCB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9963025 HPGVUTDUBYOMPB-AWEZNQCLSA-N 486.528 4.516 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 10963460 UABKYNPPRSTAIG-UHFFFAOYSA-N 495.620 4.818 10 40 JJCB Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccccc1F 15225855 BTXQVNCERVMIJN-FYJGNVAPSA-N 497.482 4.532 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CNCc2ccccc2)c2ccccc12 101359923 HFIKYBCDMVMSNC-YABZZONLSA-N 464.569 4.598 10 40 JJCB O=[N+]([O-])c1ccc(Nc2ccc(/N=N\c3ccc(S(=O)(=O)O)cc3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 104221468 VRNYBTKKXVYNNK-MRCUWXFGSA-N 488.394 4.817 10 40 JJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)C1 224655508 PZUOJHLTYFRDLQ-RTBURBONSA-N 493.620 4.625 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1C 260800672 UMHLDAUFKCSMEL-REWPJTCUSA-N 485.694 4.963 10 40 JJCB COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S 409146496 SJQFLLKZUQJZOZ-IBGZPJMESA-N 486.442 4.999 10 40 JJCB COc1ccccc1NS(=O)(=O)c1cc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1C 9492358 NFWIXARUZBBPJG-PGMHBOJBSA-N 476.558 4.523 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 10962655 FQUJTXJKLLYUTP-UHFFFAOYSA-N 478.643 4.835 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2C(=O)O)C1=O)=C\c1ccccc1 12278495 GNKHLCDQHFDTSL-GEZYKDBCSA-N 466.584 4.951 10 40 JJCB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1 35217278 ZZMFTEYTQXCYFA-UHFFFAOYSA-N 453.542 4.881 10 40 JJCB Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 408694170 DLRDOCCQTSWVOR-DEDYPNTBSA-N 483.362 4.741 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)N(CCO)Cc2ccccc2)C1=O)=C\c1ccccc1 8820610 FKBCLEJWQSPLNF-NSESQLPSSA-N 480.655 4.635 10 40 JJCB COc1ccc(N2CCN(C(=O)COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3)CC2)cc1 12557990 OGXPAJFELAJOMY-UHFFFAOYSA-N 484.552 4.505 10 40 JJCB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1C 13674005 VDFZCLUIUHKFPO-UHFFFAOYSA-N 463.603 4.634 10 40 JJCB CCOc1c(I)cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1OC 33343230 BUIASQDJJOWDFG-OQLLNIDSSA-N 478.282 4.688 10 40 JJCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21 33458379 AXGRXXDVBKCUSH-CKMDTHJYSA-N 484.556 4.545 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br 40940256 YOTLMQSXDKOLHM-OQLLNIDSSA-N 483.796 4.657 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1C 260839134 IYOLFYGSCMOHAU-JOCHJYFZSA-N 471.667 4.717 10 40 JJCB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 409014645 XUHXKKRZLNMSKL-XSFVSMFZSA-N 472.010 4.758 10 40 JJCB COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)ccc1Cl 409178001 DCXVJELOPKLZJB-XDHOZWIPSA-N 498.969 4.933 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c2C)cc1 8726011 SEWHJOONYPOQST-UHFFFAOYSA-N 466.335 4.530 10 40 JJCB O=S(=O)(Nc1ccc(O)c2ccccc12)c1cc(Br)ccc1Br 8871867 HVTQQQGDQODMIU-UHFFFAOYSA-N 457.143 4.871 10 40 JJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 9933367 HHRARRALGREBDN-UYRXBGFRSA-N 466.921 4.889 10 40 JJCB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 11114837 HTPRCLJLZMMEQB-UHFFFAOYSA-N 454.265 4.564 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(I)cc4)o3)C2=O)cc1 13616216 YXOLZJVLCULYFE-LDADJPATSA-N 498.276 4.526 10 40 JJCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)CC2)cc1 38851128 HUTSMSLLYQXAPQ-LJQANCHMSA-N 462.421 4.563 10 40 JJCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1cccc2ccccc12 104124138 BXHMMJAQLFVDHE-CFZMGFRKSA-N 487.541 4.716 10 40 JJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2Br)cc1 107605868 LAOVASULOWUEQM-YBFXNURJSA-N 495.329 4.592 10 40 JJCB COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2C 222556606 IKKAKGQERYDASP-UHFFFAOYSA-N 450.970 4.923 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 408725566 KHPGKIBDTMNXOJ-UYRXBGFRSA-N 462.889 4.594 10 40 JJCB COc1ccc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1Br 409144626 MERYXURMQZGZSA-SFHVURJKSA-N 450.423 4.862 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)c2C)cc1 409186361 AWFHPTMNNSWSRB-XQNSMLJCSA-N 457.530 4.722 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 409230926 ABDZBVNZTMOWGF-BKUYFWCQSA-N 453.520 4.830 10 40 JJCB Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)ccc1I 2355814 CMQZWAXNRLXVSN-SXGWCWSVSA-N 452.317 4.673 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 8742515 KITJQTFKMXJQHK-UDWIEESQSA-N 463.877 4.952 10 40 JJCB Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c(C)n1-c1ccccc1F 24771533 KMJKWLQBUJSMMR-UHFFFAOYSA-N 473.508 4.652 10 40 JJCB CCCCOC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003864 VVQJLZTVQOOSTC-UHFFFAOYSA-N 488.993 4.686 10 40 JJCB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)O)n[nH]2)c1 408631348 DJOUKPMLFZFYIL-FYJGNVAPSA-N 466.563 4.615 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(Br)c3)C2=O)cc1 408898330 LCTVUHBIFRTXOV-AQTBWJFISA-N 487.350 4.693 10 40 JJCB COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409081825 QLCRREGGHXWLOJ-PZHUPROXSA-N 493.242 4.600 10 40 JJCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 409197940 SHKXZJQKDHPGSS-OVCLIPMQSA-N 451.323 4.772 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409224933 NZLQBUUCTSSBSN-LPYMAVHISA-N 460.511 4.712 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 8425121 UEKDFNOPUBCLCP-FRKPEAEDSA-N 454.356 4.858 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9308893 XUOZERGVPRVBBE-DSITVLBTSA-N 482.467 4.756 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 12436516 RHOKYTRDWDMALC-PCCBWWKXSA-N 498.362 4.817 10 40 JJCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)N1CCN(C)CC1)c(O)c1ccccc12 22456842 PXSRGZWFGBSBAF-XMMPIXPASA-N 459.546 4.509 10 40 JJCB Cc1cccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 33723063 ANEVJMJPPJCUMJ-ODLFYWEKSA-N 463.877 4.597 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222860747 IGUQKIPGBKENQW-UIOOFZCWSA-N 475.662 4.708 10 40 JJCB C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCOCC2)cc1 225838673 SBMNPSIPZKPCMA-CYBMUJFWSA-N 454.821 4.987 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)NC1=S 409173407 MIFUYHSEUJHMHW-LDADJPATSA-N 495.988 4.596 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409246049 DDXNVDDBYQWTDX-FSJBWODESA-N 494.954 4.980 10 40 JJCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1 409253104 YRIIVXLBBKTKKH-HYARGMPZSA-N 458.587 4.752 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S 409329314 DNSMFIPQIAHWDI-MOSHPQCFSA-N 456.589 4.632 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)cc1[N+](=O)[O-] 409334902 WWTHBIATMUQTFB-LICLKQGHSA-N 471.541 4.771 10 40 JJCB CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(CCO)CC2)cc1 21486716 ZEFVLIDAULRUJN-AREMUKBSSA-N 467.698 4.753 10 40 JJCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665210 OPLCGUPBXKVFQM-SANMLTNESA-N 493.051 4.708 10 40 JJCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35560547 LJFZYLJBZXDHNT-VWLOTQADSA-N 464.009 4.944 10 40 JJCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)NCc1ccccc1 408576065 PMEMHMYHGZATFU-JCMHNJIXSA-N 460.580 4.788 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 408784454 SSWTYRNXHZVKGV-HYARGMPZSA-N 456.498 4.557 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)cc1Cl 409232336 QCFCGXFOISQBRU-WOJGMQOQSA-N 457.958 4.609 10 40 JJCB CCOC(=O)C(C(=O)OCC)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1 3845374 FVNJMQUVDHRREA-UHFFFAOYSA-N 454.611 4.791 10 40 JJCB biogenic Cc1ccsc1CN(C)C(=O)CSc1ncc(-c2ccc(Br)cc2)n1C 12530986 JPBZJJQYNPZHTO-UHFFFAOYSA-N 450.427 4.970 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1cccc(C(F)(F)F)c1 14357448 DFPBGRCLAVZIOB-UHFFFAOYSA-N 461.396 4.643 10 40 JJCB CN(C)c1ccc(/C=C2\S[C@]3(NC2=O)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 14904582 ZCZGDDQZCRRDHJ-IXUSQOQDSA-N 468.582 4.812 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 20287642 JBHGLDIQLNCKCC-MOSHPQCFSA-N 454.939 4.910 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 59135833 LIHFHVXVNAEOFF-LFIBNONCSA-N 451.435 4.974 10 40 JJCB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 223458388 HJLHPJFSTTYQSM-UHFFFAOYSA-N 468.962 4.671 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408532956 NJSFRVIEYRGZBN-XQNSMLJCSA-N 498.583 4.751 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2c1 408780845 MAVHEZSPMOFOCM-PXLXIMEGSA-N 458.514 4.920 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccn3)c(OC)c2)SC1=S 409349379 PKMGIBSRYFKFDE-YBEGLDIGSA-N 465.394 4.653 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1Br 8765628 FTWOCTXFVBEAJV-WJDWOHSUSA-N 465.369 4.818 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 8819377 OWIFJNHLRKJZGE-IUXPMGMMSA-N 483.398 4.851 10 40 JJCB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 10112165 GXSSHEYSDQPNLE-UHFFFAOYSA-N 477.630 4.943 10 40 JJCB O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12 20437952 ALQMWEWIQASJRW-UHFFFAOYSA-N 484.268 4.779 10 40 JJCB biogenic CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC 23990619 OOQOJRRRWUGRIA-HKWRFOASSA-N 456.589 4.810 10 40 JJCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)N4CCCCC4)c4ccccc34)C2=O)c1C 27549113 KKWZNWLZUPTCCT-PXLXIMEGSA-N 484.556 4.777 10 40 JJCB N=C1/C(=C/c2cccn2Cc2ccccc2Cl)C(=O)N=C2SC(c3ccccc3F)=NN12 27905065 XRDFDTKRBCNVJW-WFFRMWFSSA-N 463.925 4.996 10 40 JJCB COC(=O)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1 32701776 GWAFCBOOULFUHW-SFQUDFHCSA-N 489.644 4.638 10 40 JJCB COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 103921346 HMZIDLBVWQDZQU-KQWNVCNZSA-N 487.487 4.536 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)c1 108933052 FVWGFOCOUNWOGO-YFEUJDIGSA-N 488.993 4.756 10 40 JJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 109040228 PCGVVZYYLYMSQM-ATVHPVEESA-N 481.917 4.902 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223558927 XFQCYJFFOVTTST-LOSJGSFVSA-N 455.587 4.757 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 231375222 LYESASVCGFZTNC-FYJGNVAPSA-N 493.928 4.659 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408534839 MQLACUAVPQKQKX-ODSBOKTLSA-N 496.519 4.679 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1 408883613 VCUOSISRTUPMTA-DEDYPNTBSA-N 461.861 4.505 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S 409338637 NJDDVTPBDYYIAN-CHHVJCJISA-N 484.433 4.692 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 6456246 GXPBNKRWYJKLJA-WSDLNYQXSA-N 490.541 4.986 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 8495545 KXRDNTWZLKSZHK-FORMPUQESA-N 480.521 4.719 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1C 9159284 SGZFGSGRBIQTJX-MSYYJCCKSA-N 497.580 4.824 10 40 JJCB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1 11619295 PTJSEHFAZZRHAY-UHFFFAOYSA-N 495.601 4.984 10 40 JJCB Cc1cc(C)cc(-c2nnc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)o2)c1 12565504 HKYIILMTZWLLTM-QHCPKHFHSA-N 480.634 4.719 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 33725510 WVKXGQUZPRVHLP-ZDLGFXPLSA-N 462.980 4.587 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(F)(F)F)c1 223604780 XHTLUHNQSIRUOP-VXKWHMMOSA-N 474.552 4.863 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 224076750 HZBFDJVAXYFDHX-UHFFFAOYSA-N 486.037 4.698 10 40 JJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408533640 OQXXXUIIWNCIMO-PYCFMQQDSA-N 494.599 4.739 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1C 408549950 CALSTMUPYDGVMA-RGVLZGJSSA-N 457.983 4.715 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c(C)c1 409146469 SUXNETPBQQLGGH-MHWRWJLKSA-N 473.392 4.684 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)SC1=S 409339426 VKGPWMOHHVSXDH-CHHVJCJISA-N 475.910 4.500 10 40 JJCB CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 6144499 SUSDHPZZPZIMDQ-PLXFJCCSSA-N 497.517 4.817 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821850 WWPUUDQSKCOWHL-PXLXIMEGSA-N 478.505 4.786 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214542 ADGSPUGJTQNXLC-IBGZPJMESA-N 471.941 4.546 10 40 JJCB Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 33675939 MTWOGAQNHFEJKA-UQQQWYQISA-N 477.520 4.627 10 40 JJCB COc1ccc2ccc(O)c(CN3CCC(C(=O)Nc4ccc(Br)cn4)CC3)c2c1 40149213 WLAGNNXHSDHOQH-UHFFFAOYSA-N 470.367 4.562 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1 408879981 IDNSILAIHZBQNC-HZHRSRAPSA-N 456.498 4.557 10 40 JJCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409033116 LBPDOHJOZOPOKT-POHAHGRESA-N 461.184 4.959 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9111553 QEMHZVANSKJSSQ-LTGZKZEYSA-N 471.944 4.959 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 26779556 SKLBPICDHVLAFN-XDHOZWIPSA-N 477.007 4.977 10 40 JJCB CCCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl 26967319 LXZZSANKBLZNSX-LMRWQKIVSA-N 467.827 4.509 10 40 JJCB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4O)[C@H]3C2=O)c1 102757271 IRMJANOKFATPBX-BHIFYINESA-N 479.330 4.514 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223658113 CCIFHKAMFTZYRD-BJKOFHAPSA-N 483.037 4.987 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223694890 MCLKULUHUGTKES-AHWVRZQESA-N 476.646 4.896 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 408576555 PWDCNUMLABFOMO-NDENLUEZSA-N 456.589 4.631 10 40 JJCB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl 408584259 NOEBGQSRENGOQH-UHFFFAOYSA-N 494.352 4.577 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 408890356 RUFIIMLDPXNTNI-CPNJWEJPSA-N 495.304 4.834 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 409044434 CEABYKDWVGFHHO-UHFFFAOYSA-N 457.338 4.640 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1 409218075 YKSJQOOSYJJYJR-UDWIEESQSA-N 495.538 4.718 10 40 JJCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 2247647 OREUHRZVDCBBFO-YZYPPFLQSA-N 464.616 4.725 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2435712 JLLNKSUKZIGJOX-IIMQCXAKSA-N 469.563 4.934 10 40 JJCB COc1ccc2oc3sc(/C=C4/Sc5ccccc5N4CCCS(=O)(=O)O)[n+](C)c3c2c1 6177543 NPNBWJWJSKQHGY-UHFFFAOYSA-O 489.620 4.669 10 40 JJCB CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=S)N(Cc3ccccc3)C2=O)sc2c1CCCC2 9189411 UJKFQHWUCDLIIE-KRWDZBQOSA-N 488.656 4.561 10 40 JJCB CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O)=C\c1ccccc1 11847467 HIAOTRJVQZHDIR-FQHLDWHWSA-N 452.557 4.561 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 18083288 DOVLZKJTLDKJJC-XQNSMLJCSA-N 490.585 4.831 10 40 JJCB CCc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1 22854978 LQPPVSBQVBZARL-HSZRJFAPSA-N 477.634 4.541 10 40 JJCB COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221500 NECWPYLLBNSCOS-AWEZNQCLSA-N 468.408 4.550 10 40 JJCB biogenic Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Cl 223267761 JSKSLFKOPJVFFI-XZOQPEGZSA-N 454.043 4.677 10 40 JJCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)cc(Br)cc3C)C2=O)c(C)c1 408537152 CHKAYPGEOWGLSP-LICLKQGHSA-N 456.340 4.570 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C2=O)c1C 408931232 ISQOYRQOOYVWKH-CPNJWEJPSA-N 453.420 4.779 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)c(C)c1 409101471 XUUCIAKBHNNLOK-LDADJPATSA-N 494.956 4.835 10 40 JJCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409173092 JIIHQLOIZASFML-MURKYSCBSA-N 460.555 4.857 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1 859951 ZDQUUFYUPNFJFR-NDENLUEZSA-N 464.319 4.523 10 40 JJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S 9311350 BIDVJTJUJCYITF-ATVHPVEESA-N 481.917 4.902 10 40 JJCB CC(C)(C)OC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 9428346 XJQQXVPKVMENAQ-ISJGIBHGSA-N 478.548 4.951 10 40 JJCB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9666297 MQZMGDDGPXKJSN-UHFFFAOYSA-N 454.265 4.564 10 40 JJCB Cc1cc(C(=O)COC(=O)C2CCN(c3cnccn3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 12523522 CQDSWCDTEZLKNU-UHFFFAOYSA-N 486.494 4.545 10 40 JJCB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(O)c(Br)c2O)N3)C1 17086070 LTHSJUQMUMNPNL-NPMWZIQKSA-N 488.201 4.663 10 40 JJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccc3c(c2)OCO3)cc1 20288653 UMDOOARBRLFQLJ-JLPGSUDCSA-N 498.564 4.848 10 40 JJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 33373219 DKCHGTLMMWWRBC-OIXOFKMYSA-N 452.557 4.561 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2cccc(Cl)c2C)OC32C(=O)c3ccccc3C2=O)cc1 102672091 NDQPSLACEYGVTM-DNVJHFABSA-N 485.923 4.652 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 208469651 IRXQEASQTRCNOE-MHWRWJLKSA-N 469.969 4.942 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C)cc1 408785098 YBERFAGTQPFQOD-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 408806079 ADLWQQPRKJMKCH-LFVJCYFKSA-N 456.498 4.639 10 40 JJCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C 409015112 YRGQMKDNBJCBOQ-JAIQZWGSSA-N 457.368 4.938 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)C1=O 409069115 CBRFXXHSJTZRNY-MOSHPQCFSA-N 490.899 4.592 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1 409231209 IMQOIKXPABEYOY-HAHDFKILSA-N 469.472 4.504 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S)c1cccs1 409347321 PMRGXTLCZVBTQI-CPNJWEJPSA-N 452.582 4.873 10 40 JJCB Cc1ccc(S(=O)(=O)C(=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 3185973 XKPVAZIULRFQKD-UHFFFAOYSA-N 455.601 4.616 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1 8451813 PCSUOCSIYGEITA-SSDVNMTOSA-N 480.927 4.726 10 40 JJCB O=C1/C(=C\c2cccs2)SC(=S)N1CCCCCC(=O)N(CCO)c1ccccc1 8857630 FHPURJWYYRGXKB-KNTRCKAVSA-N 460.646 4.535 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 16000764 XUOZERGVPRVBBE-ISJGIBHGSA-N 482.467 4.756 10 40 JJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103921329 BBHZZQIYQWLJKJ-JWGURIENSA-N 456.458 4.518 10 40 JJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 225229953 BTTPXTSCJMKFDR-SXOMAYOGSA-N 497.624 4.943 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)C(=O)NC1=S 408740881 IVUMATJKCFFGBY-WOJGMQOQSA-N 473.392 4.624 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)cc1C 408758258 XSCCAQFAFAGOGR-BUVRLJJBSA-N 464.525 4.926 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(Cl)c1 408814436 PMFWAUFTBCTXDM-FYJGNVAPSA-N 492.915 4.690 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)S1 409026908 FUCKAQRBTLVDBY-MFOYZWKCSA-N 465.756 4.788 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c1C 409137981 XWLGRUDQRXESIY-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 1168313 JNWWAMLNHTUZAY-UYRXBGFRSA-N 454.573 4.567 10 40 JJCB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 12401862 WPYPINXLAKXFAT-HNNXBMFYSA-N 484.449 4.725 10 40 JJCB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3O)ccc2Cl)cc1 12526359 JNQFDUVDHCLQJX-HNNXBMFYSA-N 474.966 4.736 10 40 JJCB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(Br)cc1 59198138 NSPAVKDTQDNURV-MDWZMJQESA-N 450.632 4.517 10 40 JJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408526594 BPRCKWCYNGIQCX-LGMDPLHJSA-N 464.957 4.939 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)cc1C 408808052 DMXOTQQNHGNJID-LICLKQGHSA-N 457.324 4.520 10 40 JJCB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(C(=O)OC)=C1C 409060014 UNCQXXBUVCPIGE-BKUYFWCQSA-N 456.970 4.765 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=O)N(C[C@H](O)Cn3c4ccccc4c4ccccc43)C2=O)cc1 1209172 JZADFPFBJZYURE-PXMCARDJSA-N 471.582 4.958 10 40 JJCB CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3ccc(C)cc32)S1 6545815 GHPWRKLJQGJYDZ-UHFFFAOYSA-N 491.656 4.996 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 9892606 LJJUSLQPNWOGHB-FYJGNVAPSA-N 462.937 4.587 10 40 JJCB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 95393423 JLZYOXVPSOBRAM-NXCFDTQHSA-N 471.557 4.511 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 408695152 QYAFCMGONVISJA-XNTDXEJSSA-N 461.337 4.598 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1 408757115 ZXQIVVQDTIHOND-CIAFOILYSA-N 465.962 4.587 10 40 JJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1 408801436 SYJOVVOQXGXCLN-UDWIEESQSA-N 462.889 4.599 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 409230574 ZNAKFUQNNZORAP-CPNJWEJPSA-N 494.956 4.916 10 40 JJCB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCN(c3ccc(OC)cc3)CC2)cc1 9909440 SIXJQPDRRIFBRR-UHFFFAOYSA-N 487.625 4.965 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 13616212 JRKDJWJXYTWVIS-BOPFTXTBSA-N 496.273 4.592 10 40 JJCB CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15413110 HXXJADWJLIQDKD-HHHXNRCGSA-N 457.574 4.889 10 40 JJCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 34909763 UHDZGWNAQFPKPI-NDENLUEZSA-N 497.320 4.637 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 38754310 PCMPJPCGAXKWJE-UHFFFAOYSA-N 469.994 4.671 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248444 XFVWJHMTPQFTTC-DJKKODMXSA-N 498.322 4.766 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 169680802 KQGICYUEUPZPEJ-NJYVYQBISA-N 492.314 4.689 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223480931 GMZKODQODXAJEP-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1O 223537494 GNNPICTZJMVRMY-RPBOFIJWSA-N 455.587 4.762 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 408810184 IIFWGRPHNCPAQL-XDHOZWIPSA-N 462.889 4.594 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1cccc(F)c1 408869094 QSDMVYOUTJSLRK-CIAFOILYSA-N 464.880 4.745 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(Br)c1 408913810 NYGPYYKSJZPWCT-KEBDBYFISA-N 482.309 4.662 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409073687 RCOWJNVYLMBZBC-RCCKNPSSSA-N 452.919 4.914 10 40 JJCB CC[C@H](C)c1ccc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1 2261236 NKWYQFWAUYSWRW-SFHVURJKSA-N 459.546 4.668 10 40 JJCB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 4093585 PPHIALYXFJFLDJ-VWLOTQADSA-N 461.562 4.801 10 40 JJCB aggregator Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 6144463 FRDITJHYSUICSB-TZRRMPRUSA-N 461.949 4.766 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1 8492169 CLOPRSNDTVEZEZ-YRKOIEFQSA-N 492.601 4.807 10 40 JJCB CC1=C(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)[C@H]1C 9090483 VOPODFGYHLCNAT-QCUKBLKESA-N 451.529 4.505 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SCC)SC3=NC2=O)c1C 35190380 JBJCTNGFFZUTKO-OMLAYDHKSA-N 453.593 4.823 10 40 JJCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCCOCCOc2ccccc2)SC1=S 41077641 FMYVGJXNBWMFJV-RGEXLXHISA-N 494.432 4.755 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1F 223225001 JATQTSBZUHORLA-DNQXCXABSA-N 451.615 4.552 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc(F)cc2)c1 408804632 ZBEXMCPHZCBUHK-CIAFOILYSA-N 480.879 4.733 10 40 JJCB COc1ccc(N2CCN(C(=O)CCc3c(C)c4cc5c(C)c(C)oc5cc4oc3=O)CC2)cc1 13691288 YOZXKVCNFFGUGD-UHFFFAOYSA-N 474.557 4.754 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)cc1 225481058 OMFAUQYIIOWKDT-JOCHJYFZSA-N 483.678 4.509 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c(Cl)c1 409145175 MXHJXMAUMNLRGO-UNOMPAQXSA-N 498.973 4.894 10 40 JJCB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)n1 655359 XFWCDZQGWJPSIY-NRFANRHFSA-N 455.474 4.662 10 40 JJCB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c1 2960679 VCABJEVTMKHBNW-UHFFFAOYSA-N 458.542 4.652 10 40 JJCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 10232972 PYGXELXIRWJMQX-OCKHKDLRSA-N 473.982 4.521 10 40 JJCB CN(C)c1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Br)cc2)cc1 12414043 XCWGWVHRLSBFCH-HSZRJFAPSA-N 482.353 4.775 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1Cl 13571285 DQXKTSXTZBTHPK-DEDYPNTBSA-N 484.339 4.849 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O 16311348 YZRLMINQTJSWTQ-NDENLUEZSA-N 451.324 4.763 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OCC 26532018 VVGVFEZNCMERMS-RCCKNPSSSA-N 495.626 4.688 10 40 JJCB Cc1cc(C(=O)[C@H](C)OC(=O)[C@@H](C)Sc2nncs2)c(C)n1-c1ccc(OC(F)F)cc1 40138898 IDPZFWHFRYZVCH-UONOGXRCSA-N 481.546 4.842 10 40 JJCB Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 41085019 SHDZSHRNFSWWHY-NSDVAZHGSA-N 489.601 4.515 10 40 JJCB CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 108161214 FBVDVMDFXOERGA-RGEXLXHISA-N 471.897 4.874 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1 223268055 CFGYSZCZHLOMNR-GOTSBHOMSA-N 454.043 4.677 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(=O)O 223348057 BJPXPDGJFGFWEO-ZEQRLZLVSA-N 472.570 4.953 10 40 JJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4cc(Cl)ccc4Cl)N=C3C)ccc21 408532468 MUTNZGLYTOFHDW-VBKFSLOCSA-N 458.349 4.868 10 40 JJCB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408755216 BZCOHEDOYINUDJ-HMAPJEAMSA-N 470.916 4.962 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408951584 LXRONDRJNJHWMY-CAOOACKPSA-N 498.322 4.796 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 409187050 LJXNRNWDGIHLNM-BUVRLJJBSA-N 473.598 4.941 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1Cl 409233706 WEOJWNLEEDISGQ-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1O 409367976 KXZDBNDSJIFFMR-VIZOYTHASA-N 470.359 4.646 10 40 JJCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc2c(c1)OCO2 9884763 WRWJBYGDHPMUEQ-VXLYETTFSA-N 452.469 4.989 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4O)[C@@H]3C2=O)c1 13786712 IRMJANOKFATPBX-FKBYEOEOSA-N 479.330 4.514 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 17373786 LBPFMDMTSRAFQH-SFQUDFHCSA-N 461.952 4.868 10 40 JJCB Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 41585047 CVWSRBZCCIGHGN-UHFFFAOYSA-N 497.473 4.664 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 408536478 RONBYYNZNLLJGZ-DEDYPNTBSA-N 490.899 4.543 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2c(C)cccc2C)N[C@H]1c1ccc(N(C)C)cc1 408990643 OIJUDBJYJXSELQ-DEOSSOPVSA-N 480.634 4.579 10 40 JJCB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409203217 VVCREROOADLYGD-CAOOACKPSA-N 463.895 4.534 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C2=O)cc1Cl 409337895 YXUUILZUPUINKS-JAIQZWGSSA-N 491.931 4.729 10 40 JJCB COc1ccc2c3c(n(C[C@H]4OCCc5ccccc54)c(=O)c2c1OC)-c1ccccc1C3=O 604404101 CGQVCCMBBDXTGI-JOCHJYFZSA-N 453.494 4.544 10 40 JJCB biogenic O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 1235727 XPJMWYPSRSMRCE-VIZOYTHASA-N 473.790 4.958 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 2220555 BNBGDBMJJWNNMT-UYRXBGFRSA-N 478.888 4.752 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 9161486 UODQGHATPGRFEO-UVYYMYQDSA-N 451.552 4.531 10 40 JJCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 43726956 CIQOCJARJXPGFH-QPPCPWFDSA-N 498.966 4.911 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Br)ccc4O)[C@H]3C2=O)cc1 100517466 MCTZZBJYGKWRPP-VSKRKVRLSA-N 479.330 4.514 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)C2=O)cc1 408537353 VKJIEDZWZYDNFU-ONBHANDSSA-N 486.911 4.934 10 40 JJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)c(OC)cc1Cl 408824567 IHLKEFIHVOMYIW-LDADJPATSA-N 492.915 4.603 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1cc(C)cc(C)c1 408877499 VMEJDMGWTKCSIK-HZHRSRAPSA-N 454.526 4.878 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408896750 HUKTVAVKLFDZNV-ZHZULCJRSA-N 456.926 4.973 10 40 JJCB CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409044871 DUPVNQPQZXVKLZ-LZYBPNLTSA-N 451.281 4.834 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 409095518 HSDXGQJXKUTBPW-HAHDFKILSA-N 468.575 4.728 10 40 JJCB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccco1 6906882 CVFJPCAVIXRITP-DEDYPNTBSA-N 451.525 4.909 10 40 JJCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(Cl)cc1C(F)(F)F 8825697 OKBFOBXTKJRQJP-UHFFFAOYSA-N 487.817 4.930 10 40 JJCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1 9347692 PPYCVDHSPJTYMR-BGFGNXAESA-N 496.548 4.970 10 40 JJCB O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(F)c1 13025069 SFGPIZLLUGBODX-SANMLTNESA-N 491.563 4.702 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 223012359 UDWVEFIFOVGCGY-CLJLJLNGSA-N 477.678 4.954 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223055472 RHOLOGPICACVBB-ZEQRLZLVSA-N 450.608 4.507 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 408880274 FVEMNJOHHTUENZ-UHFFFAOYSA-N 457.338 4.640 10 40 JJCB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409029511 AMBIIAVXAFHLMK-UKTHLTGXSA-N 468.382 4.943 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 409097351 NAONKPYAIPPYTR-SFQUDFHCSA-N 456.354 4.924 10 40 JJCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cc(Cl)ccn4)c4ccccc34)[C@@H]21 1565524300 IEXMBNSIXASTLZ-AREMUKBSSA-N 485.975 4.865 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cnn4c(C(F)F)cc(-c5ccc(C)cc5)nc34)CC2)cc1 2770340 CWZHVQHKTQCZRZ-UHFFFAOYSA-N 477.515 4.613 10 40 JJCB COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)cccc12 5008926 JXHWUWXVCXQWKK-UHFFFAOYSA-N 452.492 4.728 10 40 JJCB [N-]=[N+]=N[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 5663424 UXZVJXHFRPKVBE-DGWZTRNLSA-N 495.539 4.512 10 40 JJCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)CC1 8846763 XDMKXRLDQHDNSU-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 41082482 XYAMUXCFIMBBHL-ATVXKWJESA-N 461.518 4.610 10 40 JJCB COc1ccc(N2CCN(C(=O)/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)CC2)cc1 78239560 LKMRFTUBKCTFQP-VAWYXSNFSA-N 485.415 4.917 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c(Br)c1 408740484 KYVHXVSIFQYXKS-ATVHPVEESA-N 451.276 4.684 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1 408870784 WURYOCSSUKURFD-UDWIEESQSA-N 464.880 4.745 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)NC1=S 409172133 IIKPJJPOEHBNCI-GZTJUZNOSA-N 483.952 4.727 10 40 JJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1F 409184143 XEGSJFQQZLKTDY-HYARGMPZSA-N 494.569 4.960 10 40 JJCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCc4ccc(F)cc4)c4ccccc34)[C@H]21 1565524643 QGKYNWFRKIOLEB-LJAQVGFWSA-N 496.586 4.676 10 40 JJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 8917718 SJCPTYCZFADVBB-PVHODMMVSA-N 479.532 4.726 10 40 JJCB biogenic COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 41082949 IUAFNNQAMZVURE-LWCDXBROSA-N 465.579 4.777 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 205810640 GXKNSBQONSZJJX-DEDYPNTBSA-N 457.983 4.796 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(C(=O)O)cc1 223538991 XYQDDBOIENDCGU-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 224499084 WVQKSQLSLAKCGP-UHFFFAOYSA-N 465.619 4.880 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl 408774837 DEVIFNLGJFUAEA-GZTJUZNOSA-N 485.279 4.706 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408816172 XYDLWJUTBYKGQU-HYARGMPZSA-N 456.498 4.557 10 40 JJCB CCOc1cccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c1OCC(=O)O 409345469 IQWAVHLUOURHPF-YVLHZVERSA-N 461.586 4.676 10 40 JJCB COc1cc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc(OC)c1OC 15133763 VCZMHHSUKXWJCI-VCHYOVAHSA-N 464.996 4.945 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 28228439 OPLYKWPVXVGFKO-OAQYLSRUSA-N 472.582 4.556 10 40 JJCB Cc1c(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 97464707 OUPBBGAVEQLLBW-SFQUDFHCSA-N 486.416 4.653 10 40 JJCB Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 108980658 NXIMWXHUNGLWHD-UDWIEESQSA-N 495.329 4.592 10 40 JJCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 208238612 XVMDJXFYWBKIOA-BGARDKSCSA-N 453.995 4.893 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223656627 BMLARTCILLNZLH-LOSJGSFVSA-N 462.619 4.642 10 40 JJCB Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1 408855570 GETUPOFUSFXTNT-SFQUDFHCSA-N 498.377 4.827 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 409090036 PYLUBAAZGQSSJV-WUXMJOGZSA-N 479.117 4.904 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC 409345388 LTQPJVQCBBOJQO-AQTBWJFISA-N 462.618 4.872 10 40 JJCB COC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2Cc2ccco2)c1 1355667 LQXBSJIFXFPPIJ-UHFFFAOYSA-N 477.542 4.717 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 3329993 UJLOGKNFHLIMMQ-XMMPIXPASA-N 467.978 4.775 10 40 JJCB aggregator Cc1cc(/C=C2\C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)c(C)n1-c1ccc(F)cc1 4404582 UIRFSJXPWPRAGA-ULZOKRSMSA-N 494.573 4.506 10 40 JJCB COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1OC 8856008 GUVIJUQXZKMTJA-HMAPJEAMSA-N 471.513 4.505 10 40 JJCB O=C(c1cccc(OC(F)F)c1)N1N=C(c2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1O 20494905 FOKGDWPSXNCWCJ-HXUWFJFHSA-N 466.440 4.756 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOCCOc1cccc(C)c1 41077624 XGTUCIHZOJBBBI-JWGURIENSA-N 473.616 4.699 10 40 JJCB COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221385 BKSMZAZQYIRROT-AWEZNQCLSA-N 482.872 4.631 10 40 JJCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1 108100929 YMEOSVHLKYSWRC-YBFXNURJSA-N 480.904 4.573 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 408813675 NTGGTYFHDBYPMS-HZHRSRAPSA-N 486.524 4.648 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 408888918 CUILJBRMOHDNDX-XDHOZWIPSA-N 450.853 4.725 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)cc1 409011091 LYYNRTMIYRNDHS-HYARGMPZSA-N 459.571 4.551 10 40 JJCB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 3649028 MONHLCUSMRKGLG-NKFKGCMQSA-N 462.619 4.781 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 8407905 BWZTXIXUIWFNQP-JJIBRWJFSA-N 472.541 4.621 10 40 JJCB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 16713739 YBPMQJBWUJCIPL-JLPGSUDCSA-N 488.613 4.877 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCCCC3)nc12 16733304 WWVKIJCIZJFNER-CYVLTUHYSA-N 468.648 4.527 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41083258 WCVDPIKUMXNXBW-PRZRADHTSA-N 453.480 4.529 10 40 JJCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3cc4ccccc4c(C(=O)O)c3O)cc2)s1 104123548 FIFCPLBMHGFHAH-FCQUAONHSA-N 469.504 4.620 10 40 JJCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 208223060 BQDIXXDWITZVTG-DKNZLLBESA-N 466.969 4.593 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 408783313 MKOBJQYGJIOESI-UDWIEESQSA-N 463.921 4.731 10 40 JJCB O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 409182244 JLYIPDNLHDIXIU-ZDLGFXPLSA-N 479.942 4.630 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409238412 ZPSYHKDEVXTKMW-NHDPSOOVSA-N 494.504 4.816 10 40 JJCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409369046 YXJVIDFCNNHJNI-OVCLIPMQSA-N 482.370 4.718 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 409405960 IZXSQSQBSIYKRI-ODLFYWEKSA-N 497.320 4.637 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(c2ccccc2)CC1 8735893 ASQHOBJCUQEJEU-UZYVYHOESA-N 485.700 4.859 10 40 JJCB Cc1cccc(C)c1OCCn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 9246619 LKTKLWKXINNAJM-JJIBRWJFSA-N 451.526 4.799 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCN(c2ccccc2)CC1 13810241 FZAYLQHTEKMBDC-FXBPSFAMSA-N 486.062 4.670 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 209560020 KGNRDJMRZFULFX-DEDYPNTBSA-N 478.346 4.831 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2cccc(Cl)c2)c1 408800723 OWKIUVNVXHNQKA-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C2=O)cc1 408983885 NYCWOSZZEULBLK-BKUYFWCQSA-N 477.948 4.985 10 40 JJCB CCCCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3c2C(=O)c2ccccc2C3=O)cc1 6078037 GFLLRJXVSBUAMJ-UHFFFAOYSA-N 468.553 4.894 10 40 JJCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 8707394 RCEDWYYBDPUXMH-QGZVFWFLSA-N 486.041 4.874 10 40 JJCB O=S(=O)(O)c1ccc(/N=N\c2ccc3c(S(=O)(=O)O)cccc3c2O)c2ccccc12 13086464 MKQVCJWNUFUUQK-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB in-vitro CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223582932 QSGHCRAVOXJEOM-NIZGNDASSA-N 477.630 4.947 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223657226 MGGBLPDDLJMPSM-DQEYMECFSA-N 462.619 4.642 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223721496 WGWVUFCNQQMLGG-JWQCQUIFSA-N 462.619 4.723 10 40 JJCB Cc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 260815166 UANYPDOTGJSOMX-IFMALSPDSA-N 471.667 4.655 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409069671 WVRRZHZWKJBMKP-PXLXIMEGSA-N 452.919 4.914 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S 409237200 JYEQKLOUGNKKFC-KGENOOAVSA-N 469.541 4.968 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1Cl 409374085 YLVWAYQQZVAZBF-XDHOZWIPSA-N 480.904 4.573 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 8765602 BKVUONOXXAFANT-YVLHZVERSA-N 466.506 4.944 10 40 JJCB COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(C)cc2)[C@]12C(=O)Nc1ccccc12 8918600 TTXBHBPHACKKMI-UUROJUAVSA-N 478.548 4.566 10 40 JJCB biogenic Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9962156 OACXZNPPQVRHMV-INIZCTEOSA-N 480.476 4.609 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c(OC)c1 34258415 NASUNCURWSHRDI-OHMBLGONSA-N 499.596 4.973 10 40 JJCB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC=NN12 41074274 UGYZFEFJWKKDGP-STSBFZDFSA-N 477.347 4.551 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]23)cc1 100414902 HCLXKQQBAXTDEU-VABKMULXSA-N 485.923 4.652 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1Cc1ccccc1 102760947 RZOPRTLUUCKVMN-RZUBCFFCSA-N 469.324 4.746 10 40 JJCB CN(C)c1ccc(C2(CC(=O)Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 2289283 DBNQJMRXWWPGFG-UHFFFAOYSA-N 477.358 4.861 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 2335025 AZLPFBYXPMKTOB-LDADJPATSA-N 464.861 4.566 10 40 JJCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 17838224 HTWFYLIVGNAONG-VJBWXMMDSA-N 465.912 4.596 10 40 JJCB CCc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18181763 YTKROFSERJIPEH-VJBWXMMDSA-N 485.923 4.598 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cccc(OC)c2OC)cc1 20289240 RLUJHPVLJOOWBK-KQWNVCNZSA-N 461.493 4.989 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 110422570 GCLSBLZAVRXDAB-NHDPSOOVSA-N 486.659 4.933 10 40 JJCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc21 208243568 KEBRZSWQPWWCPD-VVSAQIQQSA-N 455.917 4.868 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 208450003 CZLVERODKKUTRX-HYARGMPZSA-N 475.614 4.857 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)c(Cl)c4)o3)C2=O)cc1 408982055 FKFQXGUXOCBIMX-UYRXBGFRSA-N 478.888 4.615 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 2037873660 RTENVXKEKRVWFT-UHFFFAOYSA-N 456.873 4.885 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(F)c(Cl)c1 1145996 JIXALZWDYHUDML-GIJQJNRQSA-N 478.954 4.828 10 40 JJCB CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O 6023906 NBCJHBXLFILMNJ-HXUWFJFHSA-N 495.475 4.513 10 40 JJCB COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 16000166 BQOYJGOPYVYFIN-VJGNERBWSA-N 497.522 4.865 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(Br)cc2)C1=O 16695941 ZACUZMSOGAZTFS-ATVHPVEESA-N 477.405 4.688 10 40 JJCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 27549621 FJASPQTYNCPQNG-FKODFALISA-N 478.574 4.818 10 40 JJCB COc1cccc(OCCCOc2c(Cl)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 41082648 KVIHCECFCOQAFC-PUHYCJLASA-N 497.935 4.655 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 408882722 QJJYJPMEBCFPTM-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 408967534 TXJZHQWVQZXLSA-LPYMAVHISA-N 470.916 4.962 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C2=O)cc1 408984455 RIQISSJMGUEMMJ-UYRXBGFRSA-N 465.303 4.938 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1 409020262 NGIZWPKYVKQWSN-WOJGMQOQSA-N 481.917 4.956 10 40 JJCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 409149706 OCMKDASFFSMRDU-GOSISDBHSA-N 456.416 4.990 10 40 JJCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cccc1OC 409249007 MIQCKTXIBFWRLO-VVBXCHJUSA-N 478.492 4.723 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S)c1ccc(Cl)cc1 409342315 DFMCKOJJMQRRDI-XDHOZWIPSA-N 498.973 4.644 10 40 JJCB Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)ccc12 1737622 RFFIQLMJDAZJRY-UHFFFAOYSA-N 454.434 4.859 10 40 JJCB COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)c1 2234263 BUJSAMFUZQZADQ-NDENLUEZSA-N 479.533 4.922 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2257961 SPYZKUQYQNETSK-JAIQZWGSSA-N 478.643 4.781 10 40 JJCB O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)ccc1Cl 14010767 AOWMNUHSJLERCJ-DHDCSXOGSA-N 480.816 4.534 10 40 JJCB Cc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c(C)n1-c1ccncc1 32109647 QWUMRIZJTHRDMX-ODLFYWEKSA-N 481.375 4.923 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(OC)cc3)c(OC)c2)SC1=S 33430229 AYCNWEGHAUZJSZ-QNGOZBTKSA-N 459.589 4.773 10 40 JJCB N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(c3ccco3)=NN12 41076752 WVOUKVUPJDFSFH-OTLVRQKTSA-N 466.320 4.500 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 223659752 MCYROZMGPBMHDZ-AHWVRZQESA-N 476.646 4.896 10 40 JJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 223721991 WVBDSWZECCYIBD-CLJLJLNGSA-N 476.646 4.977 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC(C)C 408810538 TZAPHYONHDYAJP-RQZCQDPDSA-N 487.350 4.528 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408932161 BGSKSEIRONWPGX-NHDPSOOVSA-N 450.882 4.749 10 40 JJCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCC(=O)N1CCCC[C@H]1c1cccnc1 604405549 PZGZTJPYVYMMGO-DEOSSOPVSA-N 463.537 4.752 10 40 JJCB biogenic CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C 8407911 YVGDZMZXUHJQJW-HAVVHWLPSA-N 472.541 4.621 10 40 JJCB CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 8819230 CNDFQKDGIVDBPB-PGMHBOJBSA-N 454.617 4.725 10 40 JJCB CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 8820723 LPSREWCHKVFTHC-KGENOOAVSA-N 458.967 4.620 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C2=O)cc1 9075910 PPQZFEOYDWDCST-BWAHOGKJSA-N 479.536 4.949 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1 9112974 LIZVTQVXITXALB-IXNXYFIPSA-N 478.574 4.962 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1 9307506 BKASCLKUPRNZSM-NEAWXCLQSA-N 485.569 4.801 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3cc(Cl)ccc3OC)C2=O)cc1 20210169 GLOSGBGBGRHTHB-AQTBWJFISA-N 451.866 4.655 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(Br)s2)C(=O)N1c1ccc(Br)cc1 59198179 YKRSLFJYESKETQ-YRNVUSSQSA-N 456.115 4.780 10 40 JJCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccccc1[N+](=O)[O-] 100525417 DDJMNYPZUQSUAK-SIUCFOQUSA-N 451.424 4.502 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 408799951 LYRBJQIMEXYLDE-FYJGNVAPSA-N 492.915 4.603 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1Cc1ccccc1 408966220 NVNLOGPTDMMXTR-FYJGNVAPSA-N 478.346 4.582 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(NC(C)=O)c2)cc1 8918566 JHXYFAOMDJSEPQ-NSVAZKTRSA-N 463.622 5.000 10 40 JJCB biogenic CCn1c(/C=C/c2c[nH]c3ccc(OC)cc23)nc2ccc(I)cc2c1=O 13788435 DSEOBALXSWAHDH-RUDMXATFSA-N 471.298 4.681 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c(OC)c1 41107941 VRQIMIJBVCSWBT-KZVRHOHFSA-N 485.569 4.779 10 40 JJCB Cc1ccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(C)cc3)C2=S)cc1 59484927 ROAMUMBWIUBQCA-UHFFFAOYSA-N 457.511 4.960 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C 222882253 AUMPAKVTMHHFNA-GOTSBHOMSA-N 465.579 4.788 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314721 WFJGZRKHWAJPCO-AMDXRBSFSA-N 490.629 4.647 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223504557 FFGGUNWFKUNYAX-RPWUZVMVSA-N 454.603 4.760 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223693196 USZDVRDSODXGIH-AZGAKELHSA-N 476.646 4.950 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC(C)C 408814281 YYIOFDLLVGCFKT-VCHYOVAHSA-N 456.926 4.809 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(Cl)c1 408865570 DDTCZTHKRGYVDH-MOSHPQCFSA-N 478.957 4.759 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc(C)c(C)c2)c1 408866486 GXEUNEKXJSVQFE-UCQKPKSFSA-N 472.566 4.722 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)nc1 409235857 CPXACCYMPDTRMU-LPYMAVHISA-N 458.587 4.752 10 40 JJCB O=C(O)c1cc2ccccc2c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 4972338 SVWTXANWDCROMS-GHVJWSGMSA-N 454.489 4.916 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 8819504 ZADNHPWBOVHKSE-UYRXBGFRSA-N 499.639 4.934 10 40 JJCB Cc1cc(C)cc(OCCn2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 9554030 LLPWGQVZGYQKJO-KOEQRZSOSA-N 451.526 4.799 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10963468 QCPZJYBVIKWKNS-UHFFFAOYSA-N 463.603 4.750 10 40 JJCB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 12645792 GAVPBEXLVQXMQQ-MRXNPFEDSA-N 487.503 4.639 10 40 JJCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 16734674 CZZKGQCPBHNWFH-WQRHYEAKSA-N 485.034 4.880 10 40 JJCB CCOc1c(Br)cc(Br)cc1C=C1C(=O)OC2(CCCCC2)OC1=O 58865607 WAWKNQTXUGAVBE-UHFFFAOYSA-N 474.145 4.754 10 40 JJCB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)c(C(=O)OCC)c1C 100535542 ZDZMNQSDVMNLLC-PDGQHHTCSA-N 469.563 4.745 10 40 JJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 103922807 IJRBJLJZACDXQK-KQWNVCNZSA-N 486.484 4.527 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1O 110422505 ISNMWTZHAAMXGF-LSCVHKIXSA-N 493.050 4.893 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC 206906356 SOSZVWHXJJUPOA-LDADJPATSA-N 462.980 4.684 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 223308810 SWWDKCDYQCXNKX-OYDLWJJNSA-N 450.583 4.780 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1 408806021 DUGUUQRENYOJTM-QGOAFFKASA-N 462.889 4.594 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCCC)C2=O)cc1 408895824 FSYMUMWYIJYQFH-HKWRFOASSA-N 456.926 4.974 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 408899724 QBJIOVKNRXDQOM-UDWIEESQSA-N 459.458 4.755 10 40 JJCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C1=O 409133926 NXGZURCAXHGKAW-NDENLUEZSA-N 490.423 4.749 10 40 JJCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)SC2=S)cc1 2635679 IUMVPUUUTWOMCS-GZTJUZNOSA-N 496.551 4.640 10 40 JJCB CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3cc(C)ccc32)S1 6545827 KORLPNRWIIYNER-UHFFFAOYSA-N 491.656 4.996 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2CCOc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 8743424 DADURGUFSQRFMQ-XSFVSMFZSA-N 453.857 4.866 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1CCC(Cc2ccccc2)CC1 8819249 KPKLZDKBYYPWII-XLNRJJMWSA-N 468.619 4.898 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(O)c(I)c3)SC2=S)c1 9233848 AUFCLBDTMCABGH-OQLLNIDSSA-N 453.326 4.711 10 40 JJCB COc1ccc(OC)c(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1 15412366 TYVRBNYZGWLZDA-VWLOTQADSA-N 479.964 4.544 10 40 JJCB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 25389686 GOYGLNMANCRSEI-UHFFFAOYSA-N 460.397 4.867 10 40 JJCB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 33739879 BNGIIGBVBRGQAL-ZQHSETAFSA-N 485.573 4.891 10 40 JJCB CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OCC 59135498 UIQPIYAEDGJVBN-OQLLNIDSSA-N 477.286 4.892 10 40 JJCB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 59139718 NNAZIKVXPXYRKN-UHFFFAOYSA-N 472.397 4.904 10 40 JJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1nnc(-c2ccccc2)s1 101114478 LBCXUYFTGPFRGQ-LFIBNONCSA-N 487.326 4.528 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Br 408882370 NSIPWLAJERETDF-HMMYKYKNSA-N 461.315 4.706 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1C 409243724 ZWMDACWCUUSUMC-BKUYFWCQSA-N 460.559 4.781 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S)c1cccs1 409329445 FYKYNOPIOSXWAS-HMMYKYKNSA-N 482.608 4.752 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 1184305 ALXLCWLDIAZQMY-WOJGMQOQSA-N 462.980 4.674 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1OC 8819431 BGDWFISAHJDTIU-STZFKDTASA-N 484.643 4.732 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@@H](C(C)=O)[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 8918238 WIWMACOIHUNZNJ-ZNZIZOMTSA-N 477.516 4.634 10 40 JJCB biogenic CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3O)ccc2Cl)cc1 12526360 JNQFDUVDHCLQJX-OAHLLOKOSA-N 474.966 4.736 10 40 JJCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 13714644 BOLHRSXXEYEYLL-WQRHYEAKSA-N 485.034 4.817 10 40 JJCB CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15990289 IDBSBQDPYUOEJN-CCDWMCETSA-N 464.477 4.617 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCCC3)nc12 16737449 GMBBAKDEUXZJRK-UYRXBGFRSA-N 497.045 4.658 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1OCC 58884006 IOTMJSVMYMQBCM-STZFKDTASA-N 451.519 4.760 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 98086266 KYIZLTONLNUXJY-MHWRWJLKSA-N 478.401 4.680 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622085 KKNWQZFXGDRYQT-GOTSBHOMSA-N 455.027 4.806 10 40 JJCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 408808130 FCUFVKHNMNDIOW-HAVVHWLPSA-N 456.498 4.721 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 1163982 WZKJQQPXFSSVPC-STZFKDTASA-N 474.538 4.571 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 1201425 RAXSHXHJHHGLOV-DEDYPNTBSA-N 476.460 4.929 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)o1 8913824 PQPWUETYVDHZLP-UNOMPAQXSA-N 461.430 4.987 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1O 9233870 XKMLVNBBHSLHJJ-MHWRWJLKSA-N 497.379 4.797 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 13778560 ATAIQLAAFSDANW-BIYCFNCWSA-N 465.638 4.848 10 40 JJCB biogenic,in-vitro Cc1cc(I)cc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O 15947071 HRZXBZHYOCVJIT-KRWDZBQOSA-N 483.375 4.562 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S 103099871 ZBZUAVOSHPSDBT-QJOMJCCJSA-N 467.594 4.779 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223224660 JOUBCGUTXDBIGG-UIOOFZCWSA-N 461.679 4.976 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 224004661 YUIVEFFNVZDZJJ-LOSJGSFVSA-N 469.570 4.790 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1C 260800668 UMHLDAUFKCSMEL-NFBKMPQASA-N 485.694 4.963 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 408726641 UNUUUYAFVQUXGH-UYRXBGFRSA-N 478.957 4.759 10 40 JJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 408807057 JZWAAOTZSJYCPT-RGVLZGJSSA-N 491.887 4.802 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)cc1 408871272 YGCLOEMFPSGNAK-HKWRFOASSA-N 477.383 4.871 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 408940134 UJCKDDZVFYRKBL-JAIQZWGSSA-N 483.307 4.944 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409130257 GYAUVECCIGHLNF-UUYOSTAYSA-N 484.578 4.531 10 40 JJCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409173093 JIIHQLOIZASFML-WLVMFVESSA-N 460.555 4.857 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1 409188182 XFNDBUZLDWDKOR-LPYMAVHISA-N 479.989 4.978 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 9424605 JAFBOSDWMHQKBG-HMAPJEAMSA-N 463.921 4.813 10 40 JJCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 13675248 UDVYLJCBCQTZSA-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 16734837 QGGXSDPYAPQRBG-UNOMPAQXSA-N 464.616 4.535 10 40 JJCB COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1OC 22419063 TTXLJHXYAOMVKZ-XMMPIXPASA-N 460.578 4.695 10 40 JJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 208444470 KUUMGUHWCYAANA-XDHOZWIPSA-N 451.979 4.803 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OCC 408894991 SQXXYOAYSDNUFO-QJOMJCCJSA-N 479.573 4.798 10 40 JJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409021135 YGEHGQBSNQTVDY-YFEUJDIGSA-N 477.380 4.845 10 40 JJCB CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409047678 PROGKUNUQHLMGC-VIZOYTHASA-N 478.288 4.603 10 40 JJCB CC(=O)N(c1nc(/C=C2/SC(=S)N(CCCN(C)C)C2=O)cs1)c1cccc(C)c1C 12818269 NITONQMUHBBUGW-XDHOZWIPSA-N 474.677 4.597 10 40 JJCB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 13799348 YBMBSXKXWULRGO-BOPFTXTBSA-N 455.239 4.719 10 40 JJCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc(Br)c1 16771382 TXTYMOHZDSIJFP-BAGULLTOSA-N 459.390 4.845 10 40 JJCB N#Cc1ccccc1COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33779215 ZGQLSBULHAOLBX-GRSHGNNSSA-N 464.308 4.905 10 40 JJCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 106884241 JRHCLHVEZJWJME-FRKPEAEDSA-N 469.371 4.508 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223055861 ZFPDOIOXCUDIKQ-BJKOFHAPSA-N 450.608 4.507 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 223311774 IHQQPKCOELIZOO-HDYLNDSGSA-N 475.662 4.707 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)cc1 408878257 ZAJIAIMMESWRHW-JXAWBTAJSA-N 479.305 4.845 10 40 JJCB COC(=O)c1cc(Cl)ccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 1585942 GFYLSAIXRSWJGI-GOSISDBHSA-N 474.340 4.863 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 2449170 CNIPZZGPWDTSCR-ISJGIBHGSA-N 455.460 4.987 10 40 JJCB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2C)c1 9703884 YTDFHVIABDTDGT-INIZCTEOSA-N 482.565 4.685 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41076737 VHCSLFQZCAUTJZ-CPWDNUMFSA-N 477.458 4.514 10 40 JJCB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1 409008435 YMEYDUFRHRJKHO-BOPFTXTBSA-N 461.381 4.504 10 40 JJCB CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(C(C)(C)C)c1O 409024415 XSSWWIUGNLNANI-LICLKQGHSA-N 454.567 4.958 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(OCC)c1 409349547 QUAZTIVQQAHARH-WOJGMQOQSA-N 462.980 4.684 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2N)c(C)n1-c1cccc(C(F)(F)F)c1 3365933 ITHXPNHEFLIACI-UHFFFAOYSA-N 461.469 4.653 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F 12868163 NKZILFSWQOZCHC-XSFVSMFZSA-N 466.509 4.598 10 40 JJCB CN(c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)C1CCCCC1 16699783 DXCOGKAAYIUQGK-PGMHBOJBSA-N 490.654 4.865 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223467945 HNSYVUSIIQVLDK-RPBOFIJWSA-N 454.603 4.760 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223480120 WHCMPVLBBBTGQJ-JWQCQUIFSA-N 455.587 4.757 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1 408964590 DSUBADLUESZUQW-BUVRLJJBSA-N 480.524 4.707 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 409240847 IMOPTLCQWIITGU-KGENOOAVSA-N 474.538 4.688 10 40 JJCB COc1ccc(-c2cc3ccc(O)c(CN(C)C[C@H]4CCCN5CCCC[C@H]45)c3oc2=O)cc1 1565520587 XERJQGMUQHINDR-PXDATVDWSA-N 462.590 4.871 10 40 JJCB biogenic Cc1csc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 8820028 IISQDNGHJQEBRZ-YVLHZVERSA-N 475.617 4.581 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1 9308974 RGCJXXPERCUOGC-MCRQBMCVSA-N 471.970 4.794 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C 222880997 ZPKBYKBJZKVFBW-XZOQPEGZSA-N 465.579 4.788 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)c(C)c1 409234291 KJKXNVLMIJDVKU-LDADJPATSA-N 478.888 4.670 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OC 409348120 RKCNHJRCIZSILM-GDNBJRDFSA-N 489.400 4.842 10 40 JJCB Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccc2c(c1)OCO2 9223395 IVCPNKWMFKJCGM-FMIVXFBMSA-N 484.556 4.510 10 40 JJCB COc1ccc(N2CCN(Cc3cn4c(-c5ccc(Br)cc5)nnc4s3)CC2)cc1 16953926 JGXIXBKKDUNARN-UHFFFAOYSA-N 484.423 4.551 10 40 JJCB CCN1C(=O)/C(=C\c2cc(C)n(C3CCCCC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 16957327 ONBFQEVDRRBWGE-UQQQWYQISA-N 497.661 4.538 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)cc3)C(=O)N=C2S1 41083462 OJIYYZSNTBOITN-VHDUERLVSA-N 491.573 4.522 10 40 JJCB O=S(=O)(O)c1ccc2c(O)c(/N=N\c3cccc4ccccc34)c(S(=O)(=O)O)cc2c1 104366381 NJWLGVOMWIUJAR-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c(C)c1 223273231 MZPHMQCIJLTOEI-AHWVRZQESA-N 461.679 4.949 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408537858 XTJLDZINWJEKNK-CPNJWEJPSA-N 490.899 4.543 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 408899334 ONJLXKJTDSMXTR-QJOMJCCJSA-N 456.498 4.721 10 40 JJCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC 408901439 YBMZCRNCANXEJW-ATVHPVEESA-N 487.350 4.611 10 40 JJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408943972 SXOOGVHQIFEGIR-LFVJCYFKSA-N 493.475 4.993 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F 409097535 MLEXXJZSSDROLU-RVDMUPIBSA-N 462.308 4.789 10 40 JJCB CCOc1cc(Br)c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409351187 ZZQAJZDYANDKAW-WSVATBPTSA-N 494.388 4.991 10 40 JJCB Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 1240033 WCMWSUOCBJFKEN-JJBLJPBOSA-N 495.651 4.534 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 9019653 JXQVHMLNHIEVKH-QHAWAJNXSA-N 455.297 4.750 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(I)c(C)c3)C(O)=NC2=S)cc1 32116605 AAVZOWMZOZSTGW-XNTDXEJSSA-N 462.312 4.580 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248965 IUWMCBRVQCQGOT-VXLYETTFSA-N 498.322 4.766 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 223679418 ITSIKJAAHAAXNW-PKTZIBPZSA-N 485.053 4.902 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCC)c(Br)c3)C2=O)cc1 408898986 NRNNSBMMDSYKRI-AQTBWJFISA-N 487.350 4.693 10 40 JJCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408899951 QQQDEUANSDQDAI-UYRXBGFRSA-N 479.330 4.976 10 40 JJCB COc1cc(OC)c(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1Br 409144460 KHMQDDQGUSCEAN-IBGZPJMESA-N 480.449 4.871 10 40 JJCB COc1cc(OC)c(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1Br 409144464 KHMQDDQGUSCEAN-LJQANCHMSA-N 480.449 4.871 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(F)F 409359750 XXCKLRXBQMUIEU-LSCVHKIXSA-N 494.585 4.745 10 40 JJCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C1=O 2409893 HSDWLWOJDSTNLY-VSKRKVRLSA-N 479.330 4.514 10 40 JJCB CCOCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2671581 BOOKYEFCDCKXGQ-RGEXLXHISA-N 497.667 4.782 10 40 JJCB CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4C)c(Br)c3)C(=O)N=C2S1 8984989 YGGKAFOTYOTZTL-NJOZZACWSA-N 469.364 4.976 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1Cl 9293503 BEGJARTWGNWPEI-FRYOISGKSA-N 459.984 4.696 10 40 JJCB Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13102640 ZQZRASUKROUDHY-KRWDZBQOSA-N 478.504 4.811 10 40 JJCB Cc1oc2c(CN(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 24231917 LOOMGCMCHGCYMN-QFIPXVFZSA-N 489.593 4.663 10 40 JJCB COc1ccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)CC2)cc1 72328395 WRJIKNNUUCBVOI-UHFFFAOYSA-N 464.997 4.850 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 409184034 HWQSONMRXVWGSE-PXLXIMEGSA-N 459.571 4.633 10 40 JJCB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OCC(=O)O 409208920 AUMPRGPGUYTJQA-CXUHLZMHSA-N 483.489 4.973 10 40 JJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409231214 IUNBFLFSSKSZKT-XDHOZWIPSA-N 491.931 4.729 10 40 JJCB CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2201989 VAZCKCXNVHZFHB-WJDWOHSUSA-N 457.964 4.750 10 40 JJCB Cc1ccc(CN(c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)S(C)(=O)=O)cc1 10113170 UJLIJTOKEQZGAY-UHFFFAOYSA-N 491.657 4.882 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C/c4cccc5ccccc45)C(=O)N=C3S2)cc1OC 13757784 BGZJUBPZRKICHI-RSPUHVBCSA-N 456.527 4.719 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1Cl 41076301 RWASNJDBSFXVOO-DBMOPCSYSA-N 451.861 4.929 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C 223010150 QOKKFRDKDJUDJU-FGZHOGPDSA-N 485.451 4.871 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223694390 BCVQJRDBABBSLX-RPWUZVMVSA-N 499.036 4.687 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223722526 GMHYEFVIPUSTFW-DNQXCXABSA-N 466.582 4.554 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OC(C)C 408896004 GIXXDEDBBUVAMC-RQZCQDPDSA-N 487.350 4.528 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1 408953290 PNXOWFOCGKVACN-OEAKJJBVSA-N 492.487 4.814 10 40 JJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)cc1 409375672 NTDRJEIWXNIMFI-PDGQHHTCSA-N 480.929 4.692 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 1452258 CKXXMWPCENNHFM-HMAPJEAMSA-N 492.578 4.526 10 40 JJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 9158377 YCKZGOXCVDTBPS-GRRODGBQSA-N 454.559 4.773 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)NC1=S 409252865 YBYFFJGAHFASPT-QGOAFFKASA-N 455.461 4.636 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl 409253531 ZLRNEXVPHIZQHV-LFIBNONCSA-N 456.354 4.924 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 1738195 LAFOHQMWTIAMOP-NDENLUEZSA-N 495.651 4.891 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C(=O)N(c3ccccc3)C2=S)cc1 20176489 FLACDBRPEQXRTM-HAVVHWLPSA-N 458.539 4.842 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)c1 39556258 OBFUSOCKGMMUKN-MFKUBSTISA-N 496.542 4.977 10 40 JJCB Cc1cccc(C)c1OCCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 41076798 LHNNPQUGPUSPAM-HZHRSRAPSA-N 483.524 4.592 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Br)cc1Br 223949392 FPUCTFDQQWCTRA-UHFFFAOYSA-N 470.234 4.693 10 40 JJCB O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)NCc1ccccc1 408574645 MDLMXKGEGKXEBD-HAHDFKILSA-N 474.607 4.783 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408752111 FWXKGRLYFPTHCI-MHWRWJLKSA-N 471.252 4.618 10 40 JJCB CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 409044719 WUZZXPXJVQLUGX-VIZOYTHASA-N 451.281 4.834 10 40 JJCB Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c(C)c1 409192536 YNGNEQYGLHAWOJ-LPYMAVHISA-N 487.581 4.549 10 40 JJCB O=C(Nc1ccc(NC(=O)/C(Cl)=C/Cl)c2c1C(=O)c1ccccc1C2=O)/C(Cl)=C/Cl 4994481 PRDDPENSZKQXJK-OXAWKVHCSA-N 484.122 4.977 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 8819528 HGWHBEDBDMONRJ-ZHZULCJRSA-N 468.600 4.710 10 40 JJCB COc1ccc(N2CCOCC2)c(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 12857172 CQTFVYIYTGBDGC-UHFFFAOYSA-N 459.384 4.745 10 40 JJCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 27016963 PUKJVUQLNLLGSH-HNGNLUIFSA-N 458.587 4.927 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1ccccc1F 408867878 MIZVWJOUPUUNQN-FYJGNVAPSA-N 458.489 4.708 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 408895320 FCPNICUFHMMFPI-JLPGSUDCSA-N 486.524 4.729 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 408965704 LPGOTCYHBYSHFI-FYJGNVAPSA-N 495.304 4.834 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C2=O)cc1 409105840 LFCJQYLZLFDGGZ-LPYMAVHISA-N 490.585 4.871 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)NC1=S 409167022 HXQVMORASDQZGT-XSFVSMFZSA-N 459.571 4.551 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409236421 FYQNUGWADHSDSK-WJDWOHSUSA-N 487.415 4.705 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 409338220 FYIGHKORHSOIBX-WOJGMQOQSA-N 493.990 4.705 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)NC1=S 409391559 JRVZENHHDHHURQ-HYARGMPZSA-N 494.016 4.973 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2)s1 1011274 VHYODHFSMTTYHD-RGEXLXHISA-N 465.625 4.964 10 40 JJCB CC(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 9273919 QCVXZSKFQOKCRS-HJOGWXRNSA-N 454.913 4.757 10 40 JJCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 16790611 WBRYBPRKRBLDCU-XDHOZWIPSA-N 472.544 4.824 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 36716670 ZMGBNGACLPCZKM-LICLKQGHSA-N 477.951 4.574 10 40 JJCB COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221168 FYBGGLUFACHTSZ-GOSISDBHSA-N 483.476 4.820 10 40 JJCB biogenic Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 110422624 QRSPYWYCUJFLDV-AWQFTUOYSA-N 451.617 4.925 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1Cl 223580238 IJOMXWSJKIOENG-RTWAWAEBSA-N 461.418 4.761 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225509533 QTIBHDOQOKCKJR-FTJBHMTQSA-N 496.640 4.804 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1OCc1cccc(C(=O)O)c1 8767155 PKEQQFQJLNYMLM-MOSHPQCFSA-N 486.480 4.788 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 18190325 AVJOGAYBBSNEKY-NDENLUEZSA-N 459.889 4.598 10 40 JJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 20289198 QKNJUGFCCYPDDM-KQWNVCNZSA-N 459.477 4.758 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1C 408853242 QEPFLWGIXQLQBT-ZVHZXABRSA-N 494.507 4.881 10 40 JJCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCC(=O)Nc1ccc(F)cc1 408905346 XPBMUYSWFLOHJH-PXLXIMEGSA-N 459.477 4.658 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409234215 JDDQMYWOSWGLOJ-RCCKNPSSSA-N 457.530 4.776 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409393350 QKWUAVCIFKQOJP-UQQQWYQISA-N 462.509 4.823 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 8843105 UJNUHVKAVIMYHP-PDGQHHTCSA-N 454.891 4.759 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 16000768 XUOZERGVPRVBBE-CCDWMCETSA-N 482.467 4.756 10 40 JJCB O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCN(c3ccccc3F)CC2)c1O 25747328 OTROHVQDAWBHND-UHFFFAOYSA-N 469.560 4.937 10 40 JJCB CC[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 35419929 ULLWXNHIZISEKE-DYTQJMLRSA-N 479.758 4.750 10 40 JJCB C[C@@H]1CCCCN1CCCCNC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 58162140 XLNXMTMGTDGINZ-GOSISDBHSA-N 456.553 4.508 10 40 JJCB COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220931 ZRESDDGKBKRJFQ-GOSISDBHSA-N 486.476 4.700 10 40 JJCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc3c(c2)OCO3)ccc2ccccc12 108105475 YOGCOPFHASAFFT-HAHDFKILSA-N 464.477 4.609 10 40 JJCB COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(C(C)(C)C)cc3C(C)(C)C)CC2)cc1 226070560 YMYRILHMRHAWCZ-RUZDIDTESA-N 498.708 4.869 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc(C)cc2)c1 408813642 UWEMDSZICRUHPJ-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408937057 HPYRJYFXZAYCMS-FYJGNVAPSA-N 490.899 4.592 10 40 JJCB Cc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1 631967 UNFMYKANISNQDR-QNGOZBTKSA-N 469.541 4.968 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)N(CCO)c2ccccc2)C1=O)=C\c1ccccc1 8763482 PCKIPJKXJUHGIU-GVSYXSRGSA-N 466.628 4.640 10 40 JJCB CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1 9057085 BYNFFZVISOAIIZ-PRZRADHTSA-N 455.337 4.667 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 14010783 ATIGYGFXQQREGY-GZTJUZNOSA-N 466.833 4.814 10 40 JJCB COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 20528848 CUOYLUQJIACZGS-UHFFFAOYSA-N 456.498 4.558 10 40 JJCB O=C1N=C(O)/C(=C\NCCC2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 102712973 GUBPPVKQOUWEII-CJLVFECKSA-N 466.969 4.539 10 40 JJCB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)c(OC)c2)C1=O 107587880 ZEQLQYKZJMSLOP-RGEXLXHISA-N 486.952 4.983 10 40 JJCB CCc1nc(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)O)n[nH]1 408633491 ZCJZXFKPUNQZQA-YBEGLDIGSA-N 494.358 4.597 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccc(C)cc5[nH]4)o3)C2=O)c1 408963545 OILRPIXSERTBBE-LDADJPATSA-N 472.526 4.899 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)cc1OCC 409374950 CAMKJSDKFWIDBL-HMAPJEAMSA-N 463.530 4.954 10 40 JJCB COc1ccc(CCN2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1OC 1785040 PNVQLAJOFPYJLS-PXLXIMEGSA-N 491.519 4.795 10 40 JJCB CCOc1ccccc1[C@@H]1[C@@H](C(=O)OC)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O 2244550 JJWOTPKKGPXUFC-NXCFDTQHSA-N 479.532 4.692 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 8769937 JHSJZGQFAWCBIN-LDADJPATSA-N 490.443 4.618 10 40 JJCB CCOc1ccccc1[C@H]1[C@H](C(=O)OC)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O 9282784 JJWOTPKKGPXUFC-KKUQBAQOSA-N 479.532 4.692 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 13564215 JXQVHMLNHIEVKH-NJDAHSKKSA-N 455.297 4.750 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914353 NFRBGCUVLQMQAF-SANMLTNESA-N 481.015 4.838 10 40 JJCB CN1C(=O)C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)C(=O)N(C)C1=S 32101870 LBNVZEGNJXKFIG-UHFFFAOYSA-N 450.947 4.671 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223721167 BYCARDYJFGLQTO-DQEYMECFSA-N 462.619 4.723 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1C 408786528 SAWCZBYTOTYZFQ-WOJGMQOQSA-N 464.861 4.581 10 40 JJCB CCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O 408832177 QEYXPCPZFWLBCN-UVTDQMKNSA-N 452.816 4.814 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8819687 UJSCHOCEACCRSN-UYRXBGFRSA-N 471.560 4.701 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C 12363109 AYAJAFOCFVIILT-HAHDFKILSA-N 473.598 4.805 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 13898565 ASFCABRHBNMMPA-MOSHPQCFSA-N 495.304 4.834 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 41078446 KNZNDBQMMVDCAD-JFOUQRKPSA-N 469.856 4.547 10 40 JJCB COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c(C)c(Cc4ccccc4)c(=O)oc13)CC2 85878896 JEHQKHLZUCYKBX-UHFFFAOYSA-N 471.553 4.973 10 40 JJCB biogenic Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(Br)c1 408551700 PCPIXXFLAGSMDW-YBFXNURJSA-N 488.407 4.515 10 40 JJCB CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 409013207 MGIYZMFQXLVHMT-LFIBNONCSA-N 479.783 4.675 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1Cl 409331321 AQHBAKYLUDDBQS-WQRHYEAKSA-N 464.861 4.581 10 40 JJCB O=c1oc2ccc(Br)cc2cc1-c1csc(NS(=O)(=O)c2ccc(Cl)nc2)n1 9468761 FMVCNUZPYOUMAO-UHFFFAOYSA-N 498.767 4.528 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4C(=O)c3cccc(C)c3)CC2)cc1 46078730 FFIIIJSYDDRQLE-UHFFFAOYSA-N 469.585 4.559 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 205700818 SRMSRBXJYLXDEY-YBFXNURJSA-N 450.428 4.790 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(=O)O 223499065 ZYDQCABKIDDZAM-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1cccc(F)c1 408865229 BRZSSZOKXLDDQO-PXLXIMEGSA-N 458.489 4.790 10 40 JJCB COc1ccc(N2CCN(C(=O)Cc3csc(SCc4ccc(Cl)cc4)n3)CC2)cc1 8854279 ZAUUXKBCDANUPW-UHFFFAOYSA-N 474.051 4.989 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12 9311397 VJAMQFRXKVBVJF-PTNGSMBKSA-N 457.338 4.987 10 40 JJCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc12 15012504 GOCWWIFAZAAIPO-UYRXBGFRSA-N 465.303 4.667 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35043052 LGYRHAJTRLTTTP-JCMHNJIXSA-N 478.505 4.786 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 408757717 PETYQJGBXQREBM-NDENLUEZSA-N 493.361 4.535 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1cccc(F)c1 408872185 ASIZZVBLVQRAOV-WQRHYEAKSA-N 482.870 4.884 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1 408892544 BXPKJAJASJHFQK-BUVRLJJBSA-N 456.498 4.557 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C 408961998 WTLIHHLBUVLOCA-IWIPYMOSSA-N 470.573 4.805 10 40 JJCB CCOc1ccccc1C=C1C(=O)N(c2ccc(OC)cc2)C(=S)N(c2ccc(OC)cc2)C1=O 408990518 NONBEQRQKUCBRR-UHFFFAOYSA-N 488.565 4.851 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 409164292 GDQOWSMIZCRHQL-MTJSOVHGSA-N 492.509 4.637 10 40 JJCB N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 9635660 MZQNFEYABFHHID-WEHZRUJJSA-N 473.470 4.553 10 40 JJCB Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)n(-c3ccc(F)cc3)c(=O)c2c1C 10138662 XIVYKZCFZVKWJX-UHFFFAOYSA-N 456.520 4.589 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223692213 VZRIQBKSKFCIAS-LOSJGSFVSA-N 462.619 4.642 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223721356 WGWVUFCNQQMLGG-DQEYMECFSA-N 462.619 4.723 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Br)cc1 409200892 KCXZHYNKDSBHBP-KGENOOAVSA-N 477.314 4.695 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4cccc5ccccc45)cc3)C2=O)cc1 9310355 XPCJQNWWHOAQMJ-KOEQRZSOSA-N 492.487 4.734 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223578742 WIWFHQORQYYRQN-NIZGNDASSA-N 461.562 4.782 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 408879016 AEUWJIDOPPWJLH-YVNNLAQVSA-N 493.516 4.637 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc12 408882517 QKPNKKWGUJVXSO-LFVJCYFKSA-N 466.468 4.942 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F 9307216 QYXPSVJILGYEMY-HGEMSSTASA-N 473.533 4.931 10 40 JJCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1 12605740 REABVWYNWTXJBU-UHFFFAOYSA-N 475.350 4.734 10 40 JJCB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1C 13060252 HGMUNCNSGHIFLY-MRXNPFEDSA-N 475.928 4.766 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl 16196276 YLBAZGOJWGWPCD-ATVHPVEESA-N 452.869 4.528 10 40 JJCB COCCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)SC1=S 24758581 KBAKBQCLKLXHNC-MHWRWJLKSA-N 468.025 4.719 10 40 JJCB COc1ccc(N2CCN3c4ccccc4C[C@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@H]3C2)cc1 36056323 MGYJKQTUAYBLTQ-XRKRLSELSA-N 466.585 4.664 10 40 JJCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)c1C 100731418 OREWNDKABKVJMN-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)cc1 107874324 XNAPZKHBPNQQKM-ULJHMMPZSA-N 494.661 4.989 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 113830841 NDCAETDAOVAAEM-CPNJWEJPSA-N 467.294 4.629 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314751 WFJGZRKHWAJPCO-KSNOWIBYSA-N 490.629 4.647 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408796608 ATTNGEILQDMBSY-DEDYPNTBSA-N 495.304 4.834 10 40 JJCB Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 408802319 ZAMLBTYLWWYVCW-CIAFOILYSA-N 491.887 4.802 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1 408896195 QBIIZINTJHGAMW-LFVJCYFKSA-N 470.525 4.948 10 40 JJCB Cc1cc([C@H]2NC[C@H](C(=O)O)S2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408975671 BYTJHKJWPPLVHA-RTWAWAEBSA-N 455.561 4.942 10 40 JJCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 409254990 YVHKWCZIYJCAOF-YBFXNURJSA-N 464.978 4.591 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 409357270 IIJNIRFFGFEINH-YBEGLDIGSA-N 484.933 4.886 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1 26641827 PJPATWKEHKXWPH-PRSRGBHCSA-N 454.939 4.827 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 33321649 BAEWVRCZPNAXDJ-MOSHPQCFSA-N 488.521 4.644 10 40 JJCB CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3CC)C(=O)N=C2O)cc1OC 35169558 JAGYZWAEUZDNEH-GDNBJRDFSA-N 473.323 4.926 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 408800696 QRRXLAYWRZTPMZ-FYJGNVAPSA-N 491.887 4.802 10 40 JJCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 408939474 SRKFWZXWQJLWNM-STZFKDTASA-N 462.889 4.594 10 40 JJCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N1 409041169 IURVBYZWLRFHNS-UHFFFAOYSA-N 460.100 4.629 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1C(=O)O 409210308 JYFWFNYPPVPBHL-MTJSOVHGSA-N 477.498 4.937 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409221048 JYLLPOHCARSHRV-BUVRLJJBSA-N 470.573 4.805 10 40 JJCB CCN(CCOC(C)=O)c1ccc(/N=N/c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 6078554 XBYZHLACZVLMFP-WCWDXBQESA-N 488.444 4.693 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 33720797 NZDZHFDPUSQSTF-WQRHYEAKSA-N 484.295 4.942 10 40 JJCB Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 59138716 ZFJWUTZBCUEDFB-STZFKDTASA-N 478.346 4.865 10 40 JJCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 408866094 DKAZLQOYIPYENB-LPYMAVHISA-N 462.889 4.594 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1cc(C)cc(C)c1 408876938 RVXPMRGWOIMSHR-ZVHZXABRSA-N 499.523 4.868 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12 409139462 NTIVOBGQJXNCMX-FPXKJXHESA-N 455.649 4.826 10 40 JJCB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1 843629 DDOIVWUVXKAHKD-CLJLJLNGSA-N 451.530 4.565 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC1CCCCC1 8820016 JMLASRREQPWRNM-ZHZULCJRSA-N 460.621 4.626 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c1 9311818 BAOXLOBYGHEPOF-HAHDFKILSA-N 466.566 4.782 10 40 JJCB O=C(O)c1cccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)cc2)c1 13801307 HJEZKAMTVRSKSQ-STZFKDTASA-N 458.495 4.635 10 40 JJCB Nc1nc(-c2cc(Br)ccc2/N=N/N2CCOCC2)nc2ccc(Br)cc12 18030390 IGEDQRVTAUSFBU-OCOZRVBESA-N 492.175 4.735 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C2=O)c1 208308243 DQCOEVOOQLVFCY-FEMWLQECSA-N 461.562 4.864 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OCC 2371849 VVGVFEZNCMERMS-QNGOZBTKSA-N 495.626 4.688 10 40 JJCB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C\c4cccs4)SC3=S)s2)cc1 8820223 WIMRPZCNJDXXFF-LICLKQGHSA-N 471.654 4.944 10 40 JJCB COc1cccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)NC3=O)cc2Cl)c1 9434947 BMSXFRJZOWTTIM-SXGWCWSVSA-N 456.372 4.949 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1C 12437024 WOMQPBAYKGMWBS-XUHCONPKSA-N 488.491 4.943 10 40 JJCB O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S 13343426 FROFBHSFUZVPAM-GZTJUZNOSA-N 478.389 4.704 10 40 JJCB COc1cc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 13914124 ZIQOYKMLRBPOIC-PXLXIMEGSA-N 491.594 4.941 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c1 33666388 JZFADUUAFAIXNM-BKUYFWCQSA-N 453.539 4.718 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 41085052 TYSQKYLQRAJAGE-ICALIKLASA-N 489.601 4.645 10 40 JJCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085917 CHSCLZMIDAYJSB-UHFFFAOYSA-N 460.397 4.998 10 40 JJCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1 56946095 QKCRYUQCMUUVNC-JOCHJYFZSA-N 473.495 4.600 10 40 JJCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=S)N=C3O)c2C)cc1 59182271 VCOONQVRTYMVCD-XSFVSMFZSA-N 453.564 4.538 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 408968446 YWRGCFZDPVHDRP-GZTJUZNOSA-N 468.893 4.773 10 40 JJCB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 409352462 ZARVNSUWYJBDGV-CIAFOILYSA-N 476.510 4.937 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(OC)c3)C2=O)cc1 8820063 BMFPJEWFABVEJQ-QNGOZBTKSA-N 498.626 4.882 10 40 JJCB NS(=O)(=O)c1cc(Br)c(/N=N\c2ccc(O)c3ncccc23)c(Br)c1 22910149 LYDXIMLSHYTFLA-MRCUWXFGSA-N 486.145 4.528 10 40 JJCB in-vitro COCCN1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S 40221203 LQMUVMZDDPMMRJ-CYVLTUHYSA-N 495.626 4.632 10 40 JJCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5Cl)o4)C(=O)N=C3S2)CC1 41084637 GZWKAOHJGHIWIK-YZQMTWDLSA-N 453.955 4.909 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)cc2)cc1 98087003 AEGZJVBFPOEIEK-HYARGMPZSA-N 477.611 4.968 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(O)cc1 223537752 DNOCADJOSOMJMZ-RPBOFIJWSA-N 455.587 4.762 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1 408806493 JKFTYPYLUHTDNC-PCLIKHOPSA-N 470.525 4.948 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1O 409326435 BSQNOYLJKIWDPZ-MHWRWJLKSA-N 466.378 4.968 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1cccs1 409329226 CLKQWUNZTXBHQN-UNOMPAQXSA-N 497.579 4.782 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 409409077 MOZFGIIGCZXVON-BGFDYXISSA-N 488.927 4.819 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)cc1 10112179 GBBBFGKIRGNZMX-UHFFFAOYSA-N 463.603 4.634 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 18190556 MJQICELWPUGOSS-SGNDLWITSA-N 461.949 4.766 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(=O)O 223347886 BJPXPDGJFGFWEO-DNQXCXABSA-N 472.570 4.953 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 408692509 OBXPXZOQUCMHAR-DEDYPNTBSA-N 468.937 4.722 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N(c2ccccc2)C1=O 409020627 RGLGBTIIDKDJDS-ULJHMMPZSA-N 497.526 4.854 10 40 JJCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409124082 JBJNLVWBHKABLV-RQZCQDPDSA-N 453.333 4.678 10 40 JJCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 8496765 SGTLBBVLRMOLRU-WJDWOHSUSA-N 457.269 4.501 10 40 JJCB N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 15224878 HRSRGODOQCOGFY-IHLSHBBNSA-N 476.901 4.966 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 26965651 PMEPCZYVNJEKKK-ODLJZMMESA-N 477.611 4.928 10 40 JJCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4c(C)cccc4Cl)ncn3)CC2)cc1 49006842 OWIADRWBEQYYGD-UHFFFAOYSA-N 484.025 4.504 10 40 JJCB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1ccccc1 100595371 FMXXKQPNYONAHS-HBMCJLEFSA-N 499.748 4.859 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 103121094 GOCHJNQQZZMESN-ULJHMMPZSA-N 467.594 4.779 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275119 PHZHVEVHIRAHGX-RSXGOPAZSA-N 461.679 4.894 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 223518976 SFHYYYMCUSSXDA-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223658168 CCIFHKAMFTZYRD-DNQXCXABSA-N 483.037 4.987 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223688718 OJUXRKMNRDVMLA-PKTZIBPZSA-N 469.010 4.678 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S)c1cccs1 409342209 ARPLUUPZIHOMMG-SXGWCWSVSA-N 490.971 4.906 10 40 JJCB CCOc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O 8922847 ZJSLUNOSNPSMRC-SFHVURJKSA-N 466.401 4.810 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 9310351 YHOHRPOKXMLUMT-FYJGNVAPSA-N 492.915 4.603 10 40 JJCB Cc1ccc(OCCOCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1 13943028 WUUUUSUPHXEBSZ-XSFVSMFZSA-N 464.008 4.954 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc(C)c1 14132731 QEIGEFYFZJOLSJ-KGENOOAVSA-N 456.498 4.557 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCc1c(Cl)cccc1Cl 33457406 BRKUPYLGFZPCDV-HMFGHYAESA-N 461.330 4.830 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]23)cc1 169684686 HCLXKQQBAXTDEU-DNVJHFABSA-N 485.923 4.652 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223722738 YCNOJBBGEGLFFK-DNQXCXABSA-N 466.582 4.554 10 40 JJCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408802789 HKJPWYHQLGHHOJ-MDWZMJQESA-N 484.133 4.821 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408917270 QDVUCPKRSSBZIU-ZDLGFXPLSA-N 471.916 4.857 10 40 JJCB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1Br 409334871 XWXPTNGRRKIPIK-YVLHZVERSA-N 478.389 4.715 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 409346451 KQSRRKBZRXHWIY-UNOMPAQXSA-N 454.504 4.641 10 40 JJCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)nc1C 1098317 FHRZJIKMQIETMX-VXLYETTFSA-N 492.557 4.571 10 40 JJCB COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c(OC)c1 15413018 YYADCUUGJFSYSA-VWLOTQADSA-N 479.964 4.544 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16741686 QAMZUIMJGIIMML-DEOSSOPVSA-N 456.652 4.660 10 40 JJCB CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 17307352 HCVXPOBUXJMUAL-MUUNZHRXSA-N 490.623 4.584 10 40 JJCB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c3c(C)noc3n2)cc1 36617484 VGPXUTOGJOWTJW-KRWDZBQOSA-N 472.545 4.534 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101142685 KVOFLQAVZKNDBL-PWRODBHTSA-N 492.314 4.689 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 223350727 ZAFRICYIWHCTQR-DQEYMECFSA-N 472.570 4.984 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408786513 RRKPWLWPNDGMGP-OQLLNIDSSA-N 493.741 4.566 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 408890613 WLRDMQXVNDENJP-UCQKPKSFSA-N 472.566 4.722 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 408917424 UGARRXMRRPWRTK-YBFXNURJSA-N 480.973 4.727 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1 409022604 CGTKSYHRNPCWMB-WSDLNYQXSA-N 462.937 4.587 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)SC1=S 409149064 WQFJLQTYTUIGTR-MTJSOVHGSA-N 455.649 4.757 10 40 JJCB CCN1C(=O)C(=Cc2cc(Br)c(Sc3ccc(C)cc3)o2)C(=O)N(CC)C1=S 8722174 YQBKWYCNXKBNSK-UHFFFAOYSA-N 479.421 4.881 10 40 JJCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)S3)CC2)c1 9009350 RZZMWCVDFHODRY-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OC 12465189 JBHKRYYFKFHCSO-YDZHTSKRSA-N 486.568 4.838 10 40 JJCB Cc1oc2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2c1C(=O)NCc1ccccc1 19794046 OVGLKHRPXHCRMD-UHFFFAOYSA-N 469.585 4.695 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)S1 32110004 RCFLAVSPXPPICD-RQZCQDPDSA-N 465.756 4.788 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 33478000 OZSXWRIUYLSTBP-HJTUMBPSSA-N 450.524 4.730 10 40 JJCB COc1cc(C)ccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1Cl 41078481 IJHHKCZPEFJNDI-CRICZYNKSA-N 467.909 4.565 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 208662469 YJWGGAJPJSSDIX-JCMHNJIXSA-N 480.567 4.854 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)OC(C)C 408600204 AHIMSFIVJFZKMF-NDENLUEZSA-N 457.573 4.740 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1 408761162 CMPFEDFHHBQUTJ-LPYMAVHISA-N 463.921 4.813 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)c(Br)c1 409022255 LEIDHDFNEPHKOX-BOPFTXTBSA-N 485.334 4.988 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 409096205 CTWDVIZXCQRXEK-SDNWHVSQSA-N 462.308 4.789 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)c1 409234745 MCEKUQFLZCNLDR-IWIPYMOSSA-N 483.499 4.894 10 40 JJCB COc1ccc2c3c(n(CCCc4nc5ccccc5n4C)c(=O)c2c1OC)-c1ccccc1C3=O 604405165 LIOZJAJDPXWSCB-UHFFFAOYSA-N 479.536 4.750 10 40 JJCB biogenic CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(OC)c3)c(OC)c2)SC1=S 33430298 XELVREOVEJWGEW-STZFKDTASA-N 459.589 4.773 10 40 JJCB Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1 33894612 PPYCVDHSPJTYMR-YOXBEJIOSA-N 496.548 4.970 10 40 JJCB COc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)cc1 41082975 SIJUSHRRTVREQX-VHDUERLVSA-N 478.574 4.818 10 40 JJCB O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(c2ccccc2)CC1 59489930 KIELSBAVQZNICV-HHHXNRCGSA-N 458.562 4.843 10 40 JJCB Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(c5ccc6c(c5)OCO6)SC4=NC3=O)cc2)c1 80348306 XISBXHUTIWEPEV-YOXBEJIOSA-N 496.548 4.970 10 40 JJCB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(C)=O 223909175 DABQVYOGTWXAOW-IAGOWNOFSA-N 461.653 4.643 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 408884550 ZQWZAKDANYOPNZ-BOPFTXTBSA-N 468.843 4.864 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1 408986287 PNUUJHTUUMAPNO-LDADJPATSA-N 466.603 4.827 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(F)c(Cl)c1 409226353 VGUALQATBGZFMC-YBFXNURJSA-N 459.930 4.754 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 409233203 RWRFWKUMMJEUPN-CIAFOILYSA-N 479.989 4.896 10 40 JJCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8820448 BTTIIELDEYCZKO-KACMKLLYSA-N 452.645 4.919 10 40 JJCB COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)coc2c1 13145361 KLVWTGYSOOVPQK-UHFFFAOYSA-N 461.470 4.546 10 40 JJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 20288164 OJLQDQXFBDNMEQ-ULJHMMPZSA-N 473.529 4.858 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OCc1ccc(C(=O)O)o1 35145425 SFFVPLSDQQJXMQ-MTJSOVHGSA-N 464.499 4.956 10 40 JJCB O=C1N=C(O)/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccc(Cl)cc1 38174487 JOCMOGYUUXLFTN-WUXMJOGZSA-N 456.079 4.968 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)ccc1OCc1ccc(F)cc1 59104243 LQEJOEGQUYEUEI-VXLYETTFSA-N 490.443 4.649 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 408835979 OWLUAPLIHVBUCK-LFVJCYFKSA-N 456.498 4.639 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F 408877791 YMZVTQSTDWKLPZ-YBFXNURJSA-N 464.880 4.745 10 40 JJCB NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)sc2c1CCCC2 8820453 SPCKPZXAIZHWSG-PXYULHTISA-N 497.667 4.512 10 40 JJCB COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 9291410 IUAFNNQAMZVURE-CAPQHAMJSA-N 465.579 4.777 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 9310602 WVKXGQUZPRVHLP-VCHYOVAHSA-N 462.980 4.587 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc(OC)c1OC 13776536 RVCFDIWGFDWUFS-FQGCVJAESA-N 456.568 4.692 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC(C)C 15012476 KLJDFOVPZPGMOU-NVNXTCNLSA-N 493.741 4.565 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccc(Cl)cc1 17778582 KBNJRCDQXSCABO-NJDAHSKKSA-N 499.748 4.859 10 40 JJCB O=C1/C(=C\c2ccco2)SC(=S)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 20494769 ZEZULCRDTYLZFK-PTGBLXJZSA-N 475.639 4.846 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)o1 32109447 RZYZRGFBHLZUQE-RBRHTRMMSA-N 462.531 4.933 10 40 JJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 33483144 HMPYAHIGLKJVSF-JYHUHERQSA-N 454.559 4.773 10 40 JJCB Clc1ccc(-c2noc(-c3cccnc3N3CCN(c4ccc5c(c4)OCO5)CC3)n2)cc1 72242795 HIKTVFXGOMSWJH-UHFFFAOYSA-N 461.909 4.507 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(=O)O)c1 223348136 OMCORUQGRFEBEN-DNQXCXABSA-N 472.570 4.953 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223652577 XTPWIWXKMWTJQZ-XZOQPEGZSA-N 469.010 4.678 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223688806 OJUXRKMNRDVMLA-DHIUTWEWSA-N 469.010 4.678 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Cc2cc(C)cc(C)c2)c1 408878612 ABJNDOQODFFZRZ-PCLIKHOPSA-N 454.526 4.878 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408893365 MPODKJAGYBCKED-UDWIEESQSA-N 450.853 4.725 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1 408933501 AKHVUSRHSZJLEI-MYYYXRDXSA-N 493.475 4.993 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OC 409328866 BPVQBKVLDMKROO-YBEGLDIGSA-N 450.379 4.868 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3OCC)c(OC)c2)SC1=S 409329260 CZJQATRAOQCZPK-STZFKDTASA-N 486.615 4.723 10 40 JJCB CCCN1C(=O)/C(=C\c2c(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 409341499 DXKPZCVHKKMCLZ-WSDLNYQXSA-N 493.610 4.928 10 40 JJCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 8432759 XJLYXWQPHXKRIW-QFEZKATASA-N 469.585 4.887 10 40 JJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 9282575 VJDZQRNGHCPJMO-RQFVJUFOSA-N 454.559 4.719 10 40 JJCB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9664476 WPCQGGYMLVDSJJ-UHFFFAOYSA-N 454.265 4.564 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1Cl 13688514 OVIRKBGRZUZKKE-WJDWOHSUSA-N 457.269 4.928 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cccc(OC)c2OC)cc1 20289236 HIYNDNNFGKLESA-ULJHMMPZSA-N 473.529 4.858 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26532129 NPKUFIZNSVQWBT-JJLAUHSJSA-N 470.664 4.568 10 40 JJCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 36612936 HDPIMGQOZNTZHY-BUVRLJJBSA-N 483.524 4.825 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 108120398 IFYHRXRMNMVTRM-ODLFYWEKSA-N 497.320 4.637 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223045808 KAVYEABYMPJHRU-PKTZIBPZSA-N 471.026 4.857 10 40 JJCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408534397 QUVKIEILLYPYMX-LCYFTJDESA-N 464.740 4.556 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1Br 408585140 BEZNIPPQGUTYQP-GDNBJRDFSA-N 462.727 4.988 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1cccc(F)c1 408865369 CFVGXMDVUDJDJA-CPNJWEJPSA-N 464.880 4.745 10 40 JJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408999967 LYWUNHCKTXPQEO-UDWIEESQSA-N 474.477 4.728 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Cl)cc1OC 409238625 FCTBGIZOUUDUNN-LICLKQGHSA-N 458.967 4.702 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)NC1=S 409390403 CWQBYOBCSGRPQP-OEAKJJBVSA-N 494.016 4.973 10 40 JJCB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](N(C)Cc1ccccc1O)CC2 689682 SOFSXTKPGSIDCI-OAQYLSRUSA-N 477.557 4.573 10 40 JJCB biogenic CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 8819092 CJHCVKGUSFSDSM-MFOYZWKCSA-N 450.944 4.718 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 8819686 WTVCYAOEFCRSRU-UYRXBGFRSA-N 471.560 4.701 10 40 JJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Br)cc1 32109968 XIWFBVOQYPXJQP-YBFXNURJSA-N 475.364 4.533 10 40 JJCB CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96220934 QGENDANZXWNCFS-KRWDZBQOSA-N 494.503 4.926 10 40 JJCB biogenic COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223694475 BCVQJRDBABBSLX-DNQXCXABSA-N 499.036 4.687 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 408784162 SYIGVFYXKQGEDU-LPYMAVHISA-N 491.931 4.591 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Cc2ccccc2F)c1 408868830 NKOFMYDCHBYSJO-HZHRSRAPSA-N 458.489 4.708 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409220688 DIVYTNNCHMAHCQ-BUVRLJJBSA-N 470.573 4.805 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 409334235 WFTFAGRIUYRWIG-IUXPMGMMSA-N 464.362 4.982 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(CC)cc3)c(OC)c2)SC1=S 409349903 WKKSCTOKKNKGBQ-KGENOOAVSA-N 470.616 4.886 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccc(F)cc1 8867892 JGPQYLCSKFCSSL-UDWXTBBOSA-N 492.454 4.985 10 40 JJCB COc1ccccc1N1CC(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(N(C)C)cc2)C1=O 9130152 OKOCYDPMTWEJIG-XMMPIXPASA-N 494.389 4.645 10 40 JJCB CC[C@@H](C)n1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccccc2c1=O 9509066 AMAVCAMTMGBUGL-MRXNPFEDSA-N 497.576 4.874 10 40 JJCB O=C1N=C(O)/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16449006 JOMMYGNWYJSCIF-MOSHPQCFSA-N 461.405 4.820 10 40 JJCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 33793473 IGWPEEIKKHKMHH-NTUHNPAUSA-N 454.689 4.799 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 41082465 OBYQFFYUNHHPHF-JLZYVWBQSA-N 461.518 4.610 10 40 JJCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 109037212 KBANOOLWKSHTJR-BKUYFWCQSA-N 493.357 4.807 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Cl 223267818 JSKSLFKOPJVFFI-GOTSBHOMSA-N 454.043 4.677 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273382 VEQNQVJEFFCUKW-RPWUZVMVSA-N 468.070 4.985 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C2=O)cc1C 408844092 GYVSGCGZMTWNIW-RGVLZGJSSA-N 492.919 4.939 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409345758 JQUXTOZWFWXOBL-RQZCQDPDSA-N 481.954 4.835 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 1771496 ICRAQZWTHIJEMS-HMAPJEAMSA-N 492.959 4.885 10 40 JJCB COc1cc(OC)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 3373218 AHZSXHGIGYJNJR-UHFFFAOYSA-N 459.445 4.752 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9359291 XUOZERGVPRVBBE-UBFVSLLYSA-N 482.467 4.756 10 40 JJCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2CC(C)C)c(C)n1-c1ccc(Cl)cc1 10037195 NMFHREHFMRWLOI-QGZVFWFLSA-N 488.057 4.776 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCC)c1O 14406681 KQDWVVXYTPEEGR-AQTBWJFISA-N 472.335 4.821 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223720969 DSGOZDWNGHQSQS-DQEYMECFSA-N 462.619 4.723 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1 408932093 TWOYPTUVFPLJNI-UUYOSTAYSA-N 477.948 4.935 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 8997509 STKMMGPKVPFQJU-XEOSYTLBSA-N 464.551 4.976 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(I)c1O 9233773 QJBQJZKXMPHXSZ-NTEUORMPSA-N 475.373 4.539 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1 9470670 MUPJWKAGTPPVKD-BKUYFWCQSA-N 465.962 4.587 10 40 JJCB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)c(C)c1C 12696924 MVEDOKHURAFDCL-UHFFFAOYSA-N 493.673 4.783 10 40 JJCB Cc1cccc(COc2c(Cl)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Br)c1 59139408 LDEHBODHFGUSIN-UHFFFAOYSA-N 493.810 4.589 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 113830535 JQSPVKZRLACKEV-OQLLNIDSSA-N 451.323 4.772 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC 409243313 XIZBOIFSHDMUMV-UKTHLTGXSA-N 465.358 4.622 10 40 JJCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 409350866 YZPINPLEQCNRTA-YPKPFQOOSA-N 451.754 4.831 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1 409364927 WRHGALVYSMAQOJ-LPYMAVHISA-N 461.499 4.922 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 8495773 QLZZRONUHDKBPC-LXEXHQCYSA-N 482.949 4.987 10 40 JJCB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)cc1C 10112166 KHKFWLSJACWINS-UHFFFAOYSA-N 477.630 4.943 10 40 JJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)NC1=S 12413555 TYKWQFCPIIAOJG-SFQUDFHCSA-N 480.929 4.692 10 40 JJCB CCN(CC)CCOC(=O)[C@@H](c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O 16693697 JVPKEALHIJEPMX-RUZDIDTESA-N 455.554 4.672 10 40 JJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 20238556 VRPQBAUCPLXFRY-UNOMPAQXSA-N 461.430 4.933 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccccc2)N2CCN(C)CC2)c1O 20412165 BXMSMIBGVCCJMZ-QHCPKHFHSA-N 475.614 4.830 10 40 JJCB C=CCOc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 35104441 YKKYBDWYWADHNL-PTNGSMBKSA-N 477.742 4.527 10 40 JJCB CC[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 35419931 ULLWXNHIZISEKE-GQVHDAKQSA-N 479.758 4.750 10 40 JJCB COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59136036 DOFIJQWNDOCZLZ-UXBLZVDNSA-N 469.719 4.922 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 100931046 WDGJVJHAUQOEEB-HZHRSRAPSA-N 496.976 4.868 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274142 XMPMJVIHFWRPNK-RPWUZVMVSA-N 468.070 4.985 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408911483 NMRBKMFOWKYYQW-YBFXNURJSA-N 451.885 4.861 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C1=O 409245016 MDFFGTPISSNTHM-SFQUDFHCSA-N 451.885 4.861 10 40 JJCB Cc1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 2235495 LTLBSBKAERQJHJ-STZFKDTASA-N 463.921 4.504 10 40 JJCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 9304192 WEBXRIWISHHBQC-FORMPUQESA-N 487.928 4.622 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)O 16915698 PMGLWKAHUMPJLC-LICLKQGHSA-N 494.388 4.717 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409071146 FEAHODXGKJKJOL-JLHYYAGUSA-N 464.349 4.564 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccccc1 409194307 AJWHKQGYVREDMA-YDZHTSKRSA-N 489.553 4.540 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409237765 LPCGCMZSZMEZSX-HMAPJEAMSA-N 465.575 4.669 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)cc1 409346973 OYMGVXHNWZNGDH-WOJGMQOQSA-N 454.554 4.757 10 40 JJCB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(N)cc3)n2-c2ccccc2)c1 930587 QDUBKXFOKZCOKN-SFHVURJKSA-N 459.575 4.856 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 8819690 MFCLGCUHVBLGQQ-CYVLTUHYSA-N 455.561 4.995 10 40 JJCB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13362998 GDVIPNQQURZDML-NDENLUEZSA-N 479.583 4.612 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 223060379 NUQQQTOINAWTCL-ZEQRLZLVSA-N 478.618 4.505 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 408741970 TYWIAEPNHBYMDY-BUVRLJJBSA-N 457.530 4.776 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 408783321 MRLYCKIENLZBBP-HYARGMPZSA-N 463.921 4.813 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1 408786740 MQPQTWRUPXESCL-GHRIWEEISA-N 474.567 4.701 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1 408799208 JXRJIIPQNQROMS-PCLIKHOPSA-N 498.535 4.726 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1ccccc1Cl 408884793 ZRGXQVNYTYZVFC-RGVLZGJSSA-N 491.887 4.514 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Br 408898107 KPLIQPOJDSGAIP-XMHGGMMESA-N 477.314 4.695 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408900801 VEKZKCBRBRWMLL-CLXYIWAZSA-N 471.351 4.910 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 409328319 SABNJBSBTDZKAM-FRKPEAEDSA-N 450.335 4.592 10 40 JJCB N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 15224876 UXAQDEUCXSKKAU-IHLSHBBNSA-N 476.901 4.966 10 40 JJCB Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1cc(Br)ccc1O 19320592 YHPGSQATOLDDGI-UHFFFAOYSA-N 455.352 4.583 10 40 JJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 32110018 HQQKYJRIBKVWNK-QGMBQPNBSA-N 451.331 4.687 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(Cl)cc3)CC2)cc1 46078820 AGYUWGJHDNFVCH-UHFFFAOYSA-N 490.003 4.904 10 40 JJCB CN(C)c1oc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br 59105036 WRFUISOENLOGND-UHFFFAOYSA-N 480.318 4.692 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2occ(C)c2C)cc1 104090794 VTBIFCVXKRUQCC-TWMRLEJJSA-N 451.508 4.572 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223045751 KAVYEABYMPJHRU-GOTSBHOMSA-N 471.026 4.857 10 40 JJCB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)C(=O)N(c2ccc(Cl)cc2)C1=S 409015826 BQMSBMMJESSSCF-OQLLNIDSSA-N 465.358 4.574 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)NC1=S 409090149 LOWIWYVGYURVNX-YVLHZVERSA-N 479.371 4.643 10 40 JJCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8818960 CIJZWPZWCUZQDM-FSEGOYHTSA-N 498.991 4.916 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26532124 NPKUFIZNSVQWBT-LRHUTULQSA-N 470.664 4.568 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 223559983 WBAJSUDRGHJSJL-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 408859507 YFGALMWCCQDOMD-BUVRLJJBSA-N 457.530 4.776 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)c1 409099222 PSFYKBNNXKQYDT-WSDLNYQXSA-N 476.964 4.896 10 40 JJCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1OCC(=O)O 409216089 HXJVBYAHAJIIHV-PXNMLYILSA-N 467.927 4.747 10 40 JJCB COc1cccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1OC 409368058 MGLYXXNHCJBAFA-OVCLIPMQSA-N 484.386 4.949 10 40 JJCB CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nnc1-c1cccnc1 2654678 MIMYRWXDGHHRJG-UHFFFAOYSA-N 475.574 4.529 10 40 JJCB CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 33389451 IFAHSABQQVLRLR-UHFFFAOYSA-N 472.497 4.686 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc2ccccc12 59435776 FHFJBNSDWMBODP-QJOMJCCJSA-N 457.526 4.772 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 110384933 LIYAYTCCFOSDRZ-WQRHYEAKSA-N 498.278 4.582 10 40 JJCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c(C)c1 223273107 MZPHMQCIJLTOEI-RSXGOPAZSA-N 461.679 4.949 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408775402 SNFUDNNJHZNOCV-VCHYOVAHSA-N 499.310 4.976 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccc(C)cc2)c1 408807899 IHFJPQVRPMLFJL-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 408815150 QLOCCWOXUMAFGT-DEDYPNTBSA-N 491.887 4.802 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Br)c1 408879174 BBGYSWKZYXRYBB-XDHOZWIPSA-N 479.305 4.845 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 408939383 SAGAXOZNOZSYIA-KGENOOAVSA-N 493.382 4.859 10 40 JJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Cl)c3)C2=O)cc1OCC 409190314 WPHAJMFXIKWFPT-LDADJPATSA-N 486.952 4.588 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409336208 MGTGWLRHEPQSJF-WQRHYEAKSA-N 457.910 4.633 10 40 JJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 1168476 CONUCAAQGLMBET-NDENLUEZSA-N 454.573 4.598 10 40 JJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(C)C)c(Br)c1 8694354 NQQMWMQTNYVNOK-ZSOIEALJSA-N 462.731 4.673 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 9232974 XKEMPQBPYKYLIS-CIAFOILYSA-N 476.510 4.937 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)NC4CCCCC4)C3=O)o2)cc1 9234544 UWBNVGVYHRPJQS-XSFVSMFZSA-N 499.614 4.871 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 41108417 MKINIZQZHYFFTR-YNUQAMOLSA-N 461.572 4.799 10 40 JJCB O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96117527 NSNZLNMTBKUXCX-HNNXBMFYSA-N 466.392 4.914 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1Cc1ccccc1 100901288 RZOPRTLUUCKVMN-VWPQPMDRSA-N 469.324 4.746 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1C 224420947 DSGGOIIXGBVRPL-QHCPKHFHSA-N 485.694 4.963 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O 225505646 WAKAUCOCKRWTLO-KAYWLYCHSA-N 497.624 4.806 10 40 JJCB NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 5008949 PZZPYVLVIGPZFU-UHFFFAOYSA-N 465.535 4.520 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 9308894 XUOZERGVPRVBBE-SDHOMARFSA-N 482.467 4.756 10 40 JJCB Cc1cc2ccccn2c1C(=S)N=P(C1CCCCC1)(N1CCOCC1)N1CCOCC1 12560097 QEAFOCBPVMOOJV-UHFFFAOYSA-N 474.611 4.952 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCOc2ccccc2OC)cc1 20288876 XBLIUYZSUOZBKX-BWAHOGKJSA-N 475.520 4.536 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(C)cc1 40006358 GJMPMDDUYBYDFY-UUMRFZBWSA-N 455.601 4.963 10 40 JJCB O=C1C(=Cc2ccc(O)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 59426367 DSXPJHQHRLHLRG-UHFFFAOYSA-N 479.355 4.903 10 40 JJCB CCOc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)ccc1OCC(=O)N(C(C)C)C(C)C 96669669 VABSLTQWSDBVAK-HYARGMPZSA-N 473.639 4.612 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621944 KKNWQZFXGDRYQT-DHIUTWEWSA-N 455.027 4.806 10 40 JJCB CC(=O)Oc1cc(OC(C)=O)c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br 408740291 AXFOQDMLWDPNOS-CAOOACKPSA-N 457.276 4.589 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1C 408846948 KTBLTOMAROKMDT-SRZZPIQSSA-N 491.931 4.729 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)cc1 409236671 SYSRWYJOMVIMSD-MOSHPQCFSA-N 460.511 4.600 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)=O 409327717 LQXZFRVVUNLHRR-YVLHZVERSA-N 464.362 4.789 10 40 JJCB Cc1cc(C(=O)COC(=O)/C=C/c2ccc(Br)o2)c(C)n1-c1ccc2c(c1)OCCO2 2635877 FVUKAYAVCXXZFZ-VMPITWQZSA-N 486.318 4.660 10 40 JJCB Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 8395927 CFACTUALUKALBU-AHMVSGTESA-N 488.491 4.943 10 40 JJCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 9884822 QQHCIWOUJKIMQU-ACLQVGRQSA-N 486.354 4.773 10 40 JJCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 10232843 ZCQMNKWUGCZPDG-QENILXLESA-N 486.354 4.773 10 40 JJCB O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)c1ccc(O)c(O)c1 13140003 YSHYIGKNQJNYGX-UHFFFAOYSA-N 478.595 4.771 10 40 JJCB CCOc1c(Br)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br 58865600 ZYQHRXVJUFILKE-UHFFFAOYSA-N 474.145 4.754 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 260922692 RDILUQOAZKOMTE-XZOQPEGZSA-N 470.086 4.901 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)NC1=S 408741253 LAUPDQSLFDGYDH-KPKJPENVSA-N 470.175 4.896 10 40 JJCB COc1ccc(N2CCN(c3c4c(nc5cc(-c6cccc(F)c6)nn35)CCCC4)CC2)cc1 13562808 FUWSFBILYOHTFP-UHFFFAOYSA-N 457.553 4.749 10 40 JJCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)SC2=S)cc1OC 26965742 LHYSCBBTYFAHQR-JCMHNJIXSA-N 495.578 4.960 10 40 JJCB Cc1nnc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccco2)s1 44086230 ODBOGGYWFPWWNW-UHFFFAOYSA-N 490.408 4.845 10 40 JJCB CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N(c2ccccc2)C1=O 59138877 FZJVOLSDXWKZEJ-ATVHPVEESA-N 496.273 4.626 10 40 JJCB O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96118124 HKYQMFKEVAUOCL-AWEZNQCLSA-N 482.391 4.619 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1 208471602 ATTXOWDRBVJOKC-LDADJPATSA-N 496.928 4.528 10 40 JJCB CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408539970 LCMXCFQZCGSFMS-AQTBWJFISA-N 456.926 4.974 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1O[C@@H](C)CC 409338610 MXDQISDDLSPCDP-HTMJNSLASA-N 462.618 4.870 10 40 JJCB CC(C)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 9334235 YNUXTZYNRBUWGV-RDJYZGLESA-N 457.559 4.995 10 40 JJCB O=C1C[C@@H](c2ccccc2Br)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96115313 BDDZRYXCXVYRSR-ZDUSSCGKSA-N 495.281 4.780 10 40 JJCB biogenic CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)cc1 107689355 AAWCZTNUXIETPR-MOSHPQCFSA-N 461.499 4.557 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)(C)C 108111050 WNQMLJOJIOPGML-UVTDQMKNSA-N 479.758 4.750 10 40 JJCB O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc2n1Cc1ccccc1 225745124 OUUJDNZVONUYAF-UHFFFAOYSA-N 493.654 4.580 10 40 JJCB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260813152 PXEHUYOAYOUPCA-JKSUJKDBSA-N 467.429 4.734 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1Br 409016984 CKSDXLMKZZEXSP-WOJGMQOQSA-N 498.377 4.827 10 40 JJCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 409058333 MMCPYWCVEIFAAT-BKUYFWCQSA-N 456.970 4.765 10 40 JJCB CCC(=O)NCCc1c(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)[nH]c2ccccc12 17196942 IECPWMDLJMMQCC-AQTBWJFISA-N 480.977 4.562 10 40 JJCB O=C1/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 29492879 NNPLDJXQGIFKQY-PXNMLYILSA-N 470.956 4.878 10 40 JJCB O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(Nc2nc3ccccc3s2)C1=O 32594549 HEBBLSWRLNAZCW-YPKPFQOOSA-N 489.401 4.609 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)c(Br)cc1O 38181263 ARDBEYREYYOBOX-OQLLNIDSSA-N 475.364 4.787 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223016379 HEXVURVPXSPMLL-DHIUTWEWSA-N 471.026 4.770 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408797148 GJQLYKDXLZXLFH-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408886256 JDVSTSILPWEHHL-SXGWCWSVSA-N 495.376 4.824 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)cc1 409233515 SQGPNQMUAALZSQ-XSFVSMFZSA-N 451.567 4.771 10 40 JJCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC 409339969 NRMLHJAMSMASDF-ODLFYWEKSA-N 475.613 4.765 10 40 JJCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1 409364826 MOCGJFQIAHTODT-UNOMPAQXSA-N 488.407 4.753 10 40 JJCB Cc1ccc(-c2oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3c2CC(=O)O)cc1C 524729418 SSPRXSRHKIXWKA-UHFFFAOYSA-N 488.448 4.940 10 40 JJCB biogenic O=C(c1ccc(Cl)cc1)c1coc2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c12 526052341 TYECHVMTULOIIG-AEFFLSMTSA-N 474.944 4.804 10 40 JJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 1792557 DKCHGTLMMWWRBC-BRNLPKLHSA-N 452.557 4.561 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 8828398 BOAOGFINUSPYBY-IGCAKMCNSA-N 471.600 4.771 10 40 JJCB COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 9010090 BQOYJGOPYVYFIN-PFBJBMPXSA-N 497.522 4.865 10 40 JJCB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 9616270 PGTRWMHFGOJJHN-SANMLTNESA-N 479.964 4.796 10 40 JJCB COc1ccc(-c2c3c(nc4nc(N5C[C@@H](C)C[C@H](C)C5)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 10339153 IZHTWDJPXMEEKJ-HOTGVXAUSA-N 466.541 4.687 10 40 JJCB O=C1/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(O)=NC(=S)N1c1ccccc1F 59136428 WEGCFAKGCJHWMI-QGOAFFKASA-N 477.473 4.985 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1C 59249023 CTNSUXIXXRVKEK-DEDYPNTBSA-N 480.387 4.688 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 223541243 BWACSDAARKAJRP-FTJBHMTQSA-N 483.597 4.786 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1 409186324 AKEXBJQFRLKMPI-LFVJCYFKSA-N 473.598 4.887 10 40 JJCB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025209 DFNAKNLKBPYFIW-RUZDIDTESA-N 489.572 4.579 10 40 JJCB Cc1ccc(C(C)C)c(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1 18190205 NGOBITGDJHJLMV-UHFFFAOYSA-N 459.546 4.586 10 40 JJCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F 34863686 KXLUYLIYJQGOHF-XDHOZWIPSA-N 452.869 4.528 10 40 JJCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 102754773 HTWFYLIVGNAONG-YTFSRNRJSA-N 465.912 4.596 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 408877367 VJYIEIWPVXZJBG-ZHZULCJRSA-N 474.488 4.778 10 40 JJCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 409001103 GUHDSMCSKBWUKF-STZFKDTASA-N 487.394 4.566 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OCC(=O)OC 409330742 MEGYOSCNGVGICF-WQRHYEAKSA-N 493.990 4.705 10 40 JJCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409332260 QOCISQHNQJLPSV-CXUHLZMHSA-N 453.463 4.663 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC 1417299 ZHYUNTCSPSNLJC-SFQUDFHCSA-N 462.980 4.684 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1Br 8872269 JHVPNKMMBYQJGA-WQRHYEAKSA-N 456.340 4.800 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238505 IWZIGXRGUNRLAK-UNOMPAQXSA-N 477.429 4.769 10 40 JJCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(OC)c(OC)c1 20739139 MKYKDNWEVAMSGU-UHFFFAOYSA-N 472.545 4.725 10 40 JJCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)c(C)c2cc1Cl 27991768 XQWYAXBAJKWEFA-LJQANCHMSA-N 475.010 4.599 10 40 JJCB CN(C)c1oc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1Br 59105037 SOEODDXAUAGECM-UXBLZVDNSA-N 473.110 4.922 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)C2=O)cc1 408789843 NTLGAZZTDPHHHE-LDADJPATSA-N 451.276 4.684 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2204500 ZXFBHLWYMUVMAU-CYVLTUHYSA-N 481.599 4.887 10 40 JJCB CC(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 33656541 QCVXZSKFQOKCRS-TZRRMPRUSA-N 454.913 4.757 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1 41076247 HHEHRRXAQRRWJN-VVHVNJFJSA-N 484.537 4.985 10 40 JJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41107948 FISBPSCOXOIGEP-GQZSXMDHSA-N 473.470 4.531 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OS(=O)(=O)c1ccccc1 113833165 UQUVNKDVRJTKHT-RCCKNPSSSA-N 489.640 4.997 10 40 JJCB CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199424794 SLABURKOEDITOH-SANMLTNESA-N 478.036 4.563 10 40 JJCB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2)cc1 225553347 IWEIDCXGTPTGCW-TZIWHRDSSA-N 490.069 4.608 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 408870822 VUJDBBVSVATWRZ-XSFVSMFZSA-N 479.305 4.845 10 40 JJCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 409048777 UARMALNWPDYEDY-RIYZIHGNSA-N 484.133 4.821 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)c1 409107444 PWGXVWPCNMTFAG-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409214087 XWOCUFWLOCYHHP-XKZIYDEJSA-N 489.553 4.776 10 40 JJCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1 409367477 BAAMZEHRDVQHAH-LZYBPNLTSA-N 484.386 4.949 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)c(Br)c1O 409375934 RBSPPWXOHHGZGS-TWGQIWQCSA-N 467.204 4.537 10 40 JJCB Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 13147628 WFEHILXQCRYNAN-UHFFFAOYSA-N 467.905 4.865 10 40 JJCB CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1Cl 13806665 WXEYCLJYBOXLHX-OOYUFVOFSA-N 495.026 4.658 10 40 JJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1OC 14414575 TWOQPZSRQLWESH-PDGQHHTCSA-N 472.335 4.734 10 40 JJCB CN(C)c1ccc(/C=C2\S[C@@]3(NC2=O)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 14904583 ZCZGDDQZCRRDHJ-AJAOQMTOSA-N 468.582 4.812 10 40 JJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18180963 TUAPIZKMWPQYEQ-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 32109480 BMMUDTPIUHGKKP-AHMVSGTESA-N 488.491 4.943 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c(OC)c1 33788124 ZHIYYRUDLLKBBV-LWCDXBROSA-N 465.579 4.777 10 40 JJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21 208448890 CPQXQFKZXAMYPW-YBFXNURJSA-N 496.430 4.912 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(F)c1 223225263 VREOFFMBFIEJJX-DNQXCXABSA-N 451.615 4.552 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 408773276 HTJXTKHQFONCLR-CPNJWEJPSA-N 450.853 4.725 10 40 JJCB Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 3435030 DTXWNVQMLYWURX-QGZVFWFLSA-N 477.948 4.731 10 40 JJCB CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)sc2c1CCCC2 9444399 XWXVXDKQVXGPIY-FOWTUZBSSA-N 490.628 4.627 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 10232902 ROONENDGLIHXAP-BKUYFWCQSA-N 467.591 4.647 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 12464878 SCFVAQAQOGGHAS-PXLXIMEGSA-N 456.498 4.639 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cc1 13669644 CIEUBRJTTOXHLH-UHFFFAOYSA-N 495.620 4.636 10 40 JJCB COc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 33623038 MHPHXJSCBZGODN-QTCOBDOFSA-N 471.600 4.533 10 40 JJCB COc1ccc(N2CCCN(Cn3nc(-c4cccnc4)n(-c4ccccc4)c3=S)CC2)cc1 48340484 CYJNDAKLGPEDTN-UHFFFAOYSA-N 472.618 4.644 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)C 108116603 RAASFCKPSIUZHS-GDNBJRDFSA-N 479.758 4.750 10 40 JJCB COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)ccc1Cl 408758403 ZNSRPKCPTHDXKP-UDWIEESQSA-N 465.897 4.865 10 40 JJCB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)cc(Cl)c1OCc1cccc(F)c1 409143741 HGOCHBKBUWBSFM-IBGZPJMESA-N 484.014 4.875 10 40 JJCB CCOc1cc(C[C@@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(Br)cc1OC 409143751 IOWMKCXUIKAPFQ-IBGZPJMESA-N 496.448 4.837 10 40 JJCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1cccc(Br)c1 409156759 OHSCAKAUXNOECE-CPNJWEJPSA-N 459.365 4.522 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1F 409223217 DNZNEPZFPJVXHY-FOWTUZBSSA-N 453.926 4.718 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Br 409230572 ZMMZLQSSPPIWIL-LICLKQGHSA-N 494.798 4.844 10 40 JJCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 1870554 ZZFDIUABVDDFIM-KQWNVCNZSA-N 474.542 4.956 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 9190862 CPFDKPKKXBMADA-XESZTULISA-N 490.654 4.565 10 40 JJCB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)c1 9467786 HRDWQTQNOYJHQI-OCEACIFDSA-N 487.921 4.660 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 13549525 USNPSZGFNZTMHU-HYARGMPZSA-N 469.472 4.504 10 40 JJCB O=C1[C@H]2CCC[C@H]1[C@H](c1cc(Br)ccc1O)N[C@@H]2c1cc(Br)ccc1O 100455172 BNLUROIUVWWAIF-BIPCEHGGSA-N 481.184 4.994 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2cccc(F)c2)c1 408886038 CZIXMDOZDWYYOJ-LPYMAVHISA-N 474.488 4.697 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@H]1c1ccc(N(C)C)cc1 408992241 SNQDBHFBNHGJSE-DEOSSOPVSA-N 480.634 4.579 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC 409141938 CJMVREMOHCTKQX-UNOMPAQXSA-N 477.007 4.992 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S 409328560 XOIMQYYIBJHGRK-PXNMLYILSA-N 498.807 4.967 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Oc3ccc(F)cc3)nc12 13769305 OETGBWZBXRHYRT-UNOMPAQXSA-N 493.541 4.929 10 40 JJCB CN(C)c1ccc(/C=C2\S[C@]3(NC2=O)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 14904584 ZCZGDDQZCRRDHJ-JGNHATNOSA-N 468.582 4.812 10 40 JJCB COc1cc(/C=C2/SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc(OC)c1OC 14923061 WLOXQRPHBRSFIP-GIJQJNRQSA-N 464.996 4.945 10 40 JJCB COCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 20059402 UBRBYNOFOAWILM-JJIBRWJFSA-N 451.526 4.623 10 40 JJCB COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(C)cc4c3NC(=O)c3ccc(F)cc3)CC2)cc1 21362054 KPSOCIPLRWNOAJ-UHFFFAOYSA-N 486.547 4.839 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 32992617 DPYJEWUPYLQJSG-UHFFFAOYSA-N 492.428 4.548 10 40 JJCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33923532 IAEDBDFSQGSMBZ-FNPLVTCOSA-N 482.675 4.629 10 40 JJCB O=C1N=C(O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 38173184 OFMIVWNZGWAYEX-VZUCSPMQSA-N 456.079 4.968 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccc(Cl)cc1 83306049 UWKWGNVGVPICMN-NTEUORMPSA-N 453.770 4.649 10 40 JJCB CC[C@H](C)Oc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 107891428 QELPZOPANDFQAZ-PGECNJAHSA-N 491.544 4.744 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(C(=O)O)c1 108912719 VWDYCYXABRXJGU-JLPGSUDCSA-N 498.535 4.552 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O 408856138 JDDUUTNLWKSGNG-LDADJPATSA-N 484.737 4.868 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2cc(C)cc(C)c2)c1 408878913 DAVRMSKFDPIRMH-ZVHZXABRSA-N 470.525 4.866 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c(C)c1 1008557 RCNSDYVGNIIRBP-BKUYFWCQSA-N 453.539 4.718 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 6444748 UDSSIJUPXWYCDQ-UBBRYJJRSA-N 456.498 4.788 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1ccc2oc(=O)ccc2c1 10232956 AGNCMMIJUBGXNN-WQRHYEAKSA-N 470.959 4.676 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408601672 LIKQTKDTVRCNQR-XNTDXEJSSA-N 472.240 4.828 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1C 409264361 FCMKUAPHTBHLDM-HAHDFKILSA-N 497.551 4.604 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 1245396 UDYWTUSKMCDULA-AKGOGDBKSA-N 454.617 4.930 10 40 JJCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 59109530 AOULCQLUQLWKGK-LUJYGJGBSA-N 476.577 4.677 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(Br)cc1OC 59136312 PMABBIMTTUHDBB-XYOKQWHBSA-N 479.327 4.667 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 224876343 FXXMPLCHZXDHHO-OFNKIYASSA-N 485.694 4.963 10 40 JJCB O=C(O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408903453 YDFRNEADZLFTGQ-RIYZIHGNSA-N 484.780 4.972 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(C)C 408991230 PWHWWFDDCWXHPH-UDWIEESQSA-N 452.576 4.568 10 40 JJCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 409130382 HQPXZXDGKBNHIM-NDENLUEZSA-N 456.593 4.824 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1I 409339905 MRUSGQYKDPYCEJ-XNTDXEJSSA-N 459.374 4.834 10 40 JJCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCC(=O)N1CCCC[C@@H]1c1cccnc1 604405550 PZGZTJPYVYMMGO-XMMPIXPASA-N 463.537 4.752 10 40 JJCB biogenic COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 1476413 ZBCQLDHCIVDPBM-UNOMPAQXSA-N 477.991 4.994 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1nc2ccccc2s1 2987784 YVWGFKUHVVLXLI-WQRHYEAKSA-N 483.596 4.645 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 9309963 UXLQGOVZXWOLIM-RGEXLXHISA-N 450.541 4.661 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 13601338 FHAVOCNGRNMOKU-YVLHZVERSA-N 450.944 4.718 10 40 JJCB Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1C 17052533 IKCSNDWEMPXRSL-MUUNZHRXSA-N 456.634 4.663 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 59136254 WUJBNPHXBYFGRL-LFIBNONCSA-N 450.447 4.764 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc(Br)c1OC 59861151 CNNKJCYEVJICHT-RIYZIHGNSA-N 459.296 4.590 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccnc1 408785688 ASQKOCGOFQCJJT-MHWRWJLKSA-N 471.369 4.627 10 40 JJCB Cc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O 408935203 MYWXMQOLBSCPER-STZFKDTASA-N 453.539 4.799 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1Cl 408982870 FQZOFKZHDJVRAP-WOJGMQOQSA-N 465.849 4.791 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H]1c1ccc(N(C)C)cc1 408993168 VNSCQRNXNMJKHZ-DEOSSOPVSA-N 480.634 4.579 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 409231373 CNTIMAXKVPKICH-NBVRZTHBSA-N 463.921 4.813 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 409241896 SQKKWDHXXPKFEC-NHDPSOOVSA-N 499.514 4.953 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 9264926 HIBYQIFIUAKZIZ-LPYMAVHISA-N 462.527 4.794 10 40 JJCB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9962164 OACXZNPPQVRHMV-MRXNPFEDSA-N 480.476 4.609 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223721403 WGWVUFCNQQMLGG-RPBOFIJWSA-N 462.619 4.723 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 408888155 XKDBPMBBSWQBRK-CIAFOILYSA-N 450.853 4.725 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c([N+](=O)[O-])c1 409216233 GLDWHSLURWQBEP-LICLKQGHSA-N 471.541 4.771 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 409373586 VDOQBZCUQZRWHY-BUVRLJJBSA-N 452.466 4.674 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1 9425275 JUIKIBUXGHPOLX-HMAPJEAMSA-N 479.989 4.978 10 40 JJCB Cc1ccc(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c(C)c1 12680382 PXQWYOWEGYBLIJ-UHFFFAOYSA-N 498.670 4.707 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 23410559 PBDPUHAHEJKGDX-NVNXTCNLSA-N 451.323 4.772 10 40 JJCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc2ccccc12 113834632 UIDNKRQRKFZKCY-CIAFOILYSA-N 465.552 4.713 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1 408799851 IMHBPKOZKYRQGW-BUVRLJJBSA-N 486.524 4.648 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408846309 IJPDTSSTIKLFAH-YRNVUSSQSA-N 485.776 4.885 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)c2ccccc21)Nc1ccccc1 8738499 MSXGZUDTGUYCSB-LPYMAVHISA-N 482.471 4.926 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13073919 VGFVLUHLLIEBFX-PMFHANACSA-N 476.532 4.564 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20104363 RBWDOFALPIFREP-UHFFFAOYSA-N 469.994 4.671 10 40 JJCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(C(=O)OC)=C1C 22571986 RPUQPKLDBBJAIV-ATVHPVEESA-N 463.361 4.720 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 32117159 LJJUSLQPNWOGHB-BKUYFWCQSA-N 462.937 4.587 10 40 JJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)o1 107829353 DQBIBYFOGRBNIF-NVMNQCDNSA-N 488.327 4.873 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225509498 QTIBHDOQOKCKJR-CLJLJLNGSA-N 496.640 4.804 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(Cc2cccc(F)c2)c1 408873681 USYZVBDFCWSEHW-LPYMAVHISA-N 464.880 4.745 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N(CC)CC)c12 409135441 QWKOJMMAKJKQEW-NDENLUEZSA-N 457.665 4.929 10 40 JJCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C 8872523 SNXHGCDEWDFDOL-WQRHYEAKSA-N 463.361 4.720 10 40 JJCB O=C(COC(=O)c1cccc(Br)c1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9402816 SPKHCQXMZOKXSE-UHFFFAOYSA-N 498.716 4.673 10 40 JJCB CCOc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17307604 KOQYPSNSXBVMAJ-NDEPHWFRSA-N 457.618 4.610 10 40 JJCB C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@@H](C)O1 27016929 QHQORVMTQKBEOZ-MPRKLJSHSA-N 462.550 4.758 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccc2cccnc12 32624068 XKNCXWXYRDBIPQ-RGEXLXHISA-N 451.548 4.994 10 40 JJCB COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221387 BKSMZAZQYIRROT-CQSZACIVSA-N 482.872 4.631 10 40 JJCB biogenic COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1 223518471 PLBZVWQIEZMUPN-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB O=C1C(=Cc2cccn2-c2ccc(O)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 409023210 YFLRQIRSKLODSC-UHFFFAOYSA-N 465.534 4.931 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 409249198 MUWBUTLHSAZDIB-DEDYPNTBSA-N 461.499 4.810 10 40 JJCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409389526 BVEMHTLFJBYHIK-PCLIKHOPSA-N 472.504 4.904 10 40 JJCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 8820632 SECVBWDDMBPOFN-SDEVTQOVSA-N 466.584 4.650 10 40 JJCB O=C(c1cccc(OC(F)F)c1)N1N=C(c2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1O 20494903 FOKGDWPSXNCWCJ-FQEVSTJZSA-N 466.440 4.756 10 40 JJCB N=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 27902926 TXEQSIWKHWCPKZ-ADAPCVGISA-N 469.788 4.690 10 40 JJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(C)c([N+](=O)[O-])c4)C3=O)n2)cc1 100510766 CNJVFANDBKEOKX-SMIQVMJNSA-N 450.480 4.910 10 40 JJCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc21 208196965 YUFFDNVJKVGJPW-BXUJETTOSA-N 482.378 4.838 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1cccc(C)c1 224388111 HQAIWBFKZAKKOF-UHFFFAOYSA-N 460.574 4.944 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 408811679 RNXWFNCRBYXIMF-DEDYPNTBSA-N 491.887 4.802 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F 408870982 WLYXSFGQAWAUCP-STZFKDTASA-N 460.530 4.647 10 40 JJCB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C(C)C 408964970 JFUMNXYSIWWCII-XDHOZWIPSA-N 471.351 4.946 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409073212 PRNWWPMIJNACDR-RCCKNPSSSA-N 452.919 4.914 10 40 JJCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 409101797 YTVBKMWOZVFIIC-LFIBNONCSA-N 469.328 4.771 10 40 JJCB Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc2n1Cc1ccc(F)cc1 409105322 IKOWEUWIWUVTGA-UDWIEESQSA-N 454.548 4.813 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c(Cl)c1 409147066 WCOOWNSEVLPQIR-OQLLNIDSSA-N 467.797 4.957 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1F 40006362 FVDPABXQXQJHNA-CTPANLQCSA-N 459.564 4.794 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C 41078496 DCTQTEWLXOCGIE-NPHXDMLASA-N 467.909 4.565 10 40 JJCB CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1cccc(OCC)c1O)N2 65298462 VLTYMCONXYVNPT-HSZRJFAPSA-N 465.594 4.880 10 40 JJCB biogenic CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 408756592 WOKJXRKMSNRBQA-KQWNVCNZSA-N 492.535 4.509 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 408845030 JRAHJMLWTGZUHM-CIAFOILYSA-N 491.931 4.675 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C 409100494 OCGMJFHKHXVLFI-CIAFOILYSA-N 492.963 4.596 10 40 JJCB Cc1ccccc1-n1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 9583347 YLFQJVGGJRGOLV-UHFFFAOYSA-N 460.559 4.995 10 40 JJCB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)CC1 10113246 SHIOYRAPCRWABP-UHFFFAOYSA-N 490.069 4.681 10 40 JJCB Cc1ccc(C)c(-n2nc(C)c(/C=C3\CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2Cl)c1 12862206 FFIKJCSPBSXSQO-LFIBNONCSA-N 460.921 4.803 10 40 JJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(CCC)[nH]n(-c2ccc(F)cc2)c1=O 13896949 OPMINFFMPJJRIE-RCCKNPSSSA-N 450.489 4.983 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=O)N=C2S1 33448099 MLTYXQXJOHASOG-OOYUFVOFSA-N 488.978 4.527 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(F)(F)F)c1 223604595 XHTLUHNQSIRUOP-FGZHOGPDSA-N 474.552 4.863 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 408740890 IXWUMWHOVKNDJX-CPNJWEJPSA-N 452.919 4.830 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)NC2=S)cc1 409187490 RCGFCXGTAIUKCL-LFVJCYFKSA-N 489.597 4.723 10 40 JJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)cc2)c1 409199630 IIGVEXMDCQISKI-HYARGMPZSA-N 477.611 4.968 10 40 JJCB CCCOc1ccccc1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2367435 IRHKKEWVHZSVAV-HMMYKYKNSA-N 465.600 4.679 10 40 JJCB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccc(Cl)cc1Cl 8810560 RBESWDBBJVTCPF-UHFFFAOYSA-N 483.304 4.914 10 40 JJCB COc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)cc(OC)c1 12544422 QZWZNFXIOQZEMN-UHFFFAOYSA-N 462.369 4.598 10 40 JJCB CCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2cccc(C(=O)O)c2)N=C1c1ccccc1 13913984 HIPGIPYEGYMBDN-QNGOZBTKSA-N 457.442 4.526 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 16194273 GVISBBDMUJJWKI-LFIBNONCSA-N 457.269 4.501 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c1 16386318 PGAODKLFTVVBHZ-BOPFTXTBSA-N 470.359 4.692 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 16805613 VUKBKCKBMCIYSW-UEIJICEPSA-N 464.616 4.615 10 40 JJCB COc1ccc(CCN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OC 100309607 KPPGJGKZRVPBNQ-CPNJWEJPSA-N 490.507 4.685 10 40 JJCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)cc1 103117657 VWATZUZBTSAAIS-QJOMJCCJSA-N 492.576 4.728 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)cc2C(C)=CC1(C)C 208519314 USSBCVLECRTADE-FYJGNVAPSA-N 489.572 4.700 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1 408897855 ZXZQMSJFGALDQY-ZVHZXABRSA-N 486.524 4.566 10 40 JJCB Cc1cccnc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524652 QMIQTPJZHVAPIQ-MHZLTWQESA-N 465.557 4.520 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@@H]1N2[C@@H](C(C)=O)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O 9309177 YDBZXRIHCLXMNT-QKDODKLFSA-N 494.522 4.807 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1C 9659380 WOMQPBAYKGMWBS-XYDJZCRXSA-N 488.491 4.943 10 40 JJCB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 32957866 BYXRJQYHFDOFTB-UHFFFAOYSA-N 491.499 4.719 10 40 JJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59136228 TWEZIAHTMBVOAR-LDADJPATSA-N 477.517 4.911 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)NC2=S)c(OC)c1 59595901 GRHKMRPBQXLUDO-FYJGNVAPSA-N 489.597 4.559 10 40 JJCB COc1cc(/C=C2/SC(=S)N(CCN(C)C)C2=O)ccc1OCc1ccccc1Cl 96921024 ZHRYXBRJFQCGMF-DEDYPNTBSA-N 463.024 4.690 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106721621 LBMYKDXPZLRCKM-ODLFYWEKSA-N 494.356 4.975 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223045852 KAVYEABYMPJHRU-XZOQPEGZSA-N 471.026 4.857 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1O 223461885 BSUKSAIAMPEQCQ-RPBOFIJWSA-N 455.587 4.762 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223692660 MDTFKFOKYAAQGK-ILBGXUMGSA-N 462.619 4.642 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 260922686 RDILUQOAZKOMTE-GOTSBHOMSA-N 470.086 4.901 10 40 JJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1O 408891298 OERKMKOICSERKI-UHFFFAOYSA-N 493.313 4.747 10 40 JJCB CN1C(=O)C(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc23)C(=O)N(C)C1=S 408904411 JBIPFZVRCVHTQE-UHFFFAOYSA-N 495.398 4.780 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)cc1 1138326 WOCCUTZRSLOYMS-CPNJWEJPSA-N 464.474 4.934 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1-c1cccc(F)c1 9415497 MRCXFRDGOYXFJF-SANMLTNESA-N 459.477 4.629 10 40 JJCB COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc(OC)c1OC 22418968 CDXJQUNOPJHWOG-DEOSSOPVSA-N 490.604 4.704 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)cc1C 33459191 PPAGVJQCHOYVOB-HMAPJEAMSA-N 451.592 4.760 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C)c1 107931613 WWKSVKYOYNRWBQ-JLPGSUDCSA-N 454.526 4.773 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223659447 HDFROZGQJHVAJS-DNQXCXABSA-N 499.036 4.687 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223721109 DSGOZDWNGHQSQS-JWQCQUIFSA-N 462.619 4.723 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1 408866189 GDRISSKRFFRXDI-HYARGMPZSA-N 464.880 4.745 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(F)c1 408891664 ULGSRTBQARFYJN-YVLHZVERSA-N 498.869 4.872 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)cc1 8819881 GXGAXRIZSBPETF-PYCFMQQDSA-N 468.644 4.816 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1 13073878 SLHRKNNHAFUFOX-BWCLHNGZSA-N 465.552 4.852 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1 14132831 AMEMVUOBZYMSFA-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(Br)o3)C2=O)c1 59104826 XOBSYLWYTOTKEM-KPKJPENVSA-N 484.100 4.710 10 40 JJCB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 225694971 HAKCCDWUWBKIST-UHFFFAOYSA-N 472.975 4.768 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408775538 UHBMBWMYGCLLQR-BWAHOGKJSA-N 488.584 4.782 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409045071 YBRNAWYCBZYDFR-VCHYOVAHSA-N 483.307 4.944 10 40 JJCB CCOC(=O)c1oc2c(CN3CCCC[C@H]3C)c(O)ccc2c(=O)c1-c1ccc(OC)cc1 8817578 ZYFMAVKIDAQEPE-MRXNPFEDSA-N 451.519 4.725 10 40 JJCB biogenic CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 16000222 CNIPZZGPWDTSCR-CCDWMCETSA-N 455.460 4.987 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1Cl 33567202 BEGJARTWGNWPEI-ROQGJMCKSA-N 459.984 4.696 10 40 JJCB CCN1c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C 208323122 WCDUIPBQMYDDKC-RDPIHGLISA-N 480.996 4.984 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 408725238 IXLNPLHXIWQYBT-MOSHPQCFSA-N 462.889 4.594 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Br)cc1 408761932 IMAONCBCWJYTGT-KGENOOAVSA-N 477.314 4.990 10 40 JJCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408945129 VYJPYECLHFTHNZ-PXLXIMEGSA-N 494.956 4.858 10 40 JJCB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9612450 AYDYLYXVAHBVDG-UHFFFAOYSA-N 478.599 4.789 10 40 JJCB Cc1cc(C)cc(-c2nnc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)o2)c1 12565507 HKYIILMTZWLLTM-HSZRJFAPSA-N 480.634 4.719 10 40 JJCB CCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 16805718 BHJCOYDHTAIBJM-UNOMPAQXSA-N 464.616 4.535 10 40 JJCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1Br 215050111 MIVOISGIWQIWBF-CPNJWEJPSA-N 459.365 4.522 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 223559930 WBAJSUDRGHJSJL-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC 408903063 ORAHIXXFHPJDGF-VZWMTCDZSA-N 460.889 4.722 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1C 409248911 HVWVVQNHXKJJOH-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 8765601 MFXDBEOOKDEEMH-QJOMJCCJSA-N 480.655 4.768 10 40 JJCB CCOC(=O)COc1c(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)cccc1OC 9763013 DBHJXVSZKUDRFY-PDGQHHTCSA-N 457.573 4.660 10 40 JJCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 100415039 RMWIOLBATDPVBO-QHAWAJNXSA-N 492.314 4.689 10 40 JJCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 100977568 RYIRWLSHRZQQGU-VJGNERBWSA-N 463.537 4.957 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 222472803 BDTBRBYRBRJXKG-MHWRWJLKSA-N 488.308 4.993 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835674 XECRWAUAXUYUIO-PKTZIBPZSA-N 465.579 4.787 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223504610 FFGGUNWFKUNYAX-BJKOFHAPSA-N 454.603 4.760 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S)c1ccccc1 409178793 ILQBDUPASVLUIE-KGENOOAVSA-N 491.550 4.720 10 40 JJCB COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1cccc2ccccc12 1415653 VGKMARAWESXTNU-JLPGSUDCSA-N 460.555 4.730 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 22665697 CRIPLHHMDHSEFT-NDEPHWFRSA-N 474.624 4.504 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(F)cc1 40006364 LQDUQOAIRBIMQE-UZQMFHLOSA-N 459.564 4.794 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223688914 QENHIGWGIJROLK-PKTZIBPZSA-N 469.010 4.678 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223717092 WFWKBNJAQYENGO-RPWUZVMVSA-N 499.036 4.774 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 408889805 JGWNOGFGSVNNKV-YBEGLDIGSA-N 494.388 4.564 10 40 JJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408937342 IWDHCTJOKPLORG-FYJGNVAPSA-N 491.887 4.802 10 40 JJCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409328164 PPKRZOJYZRSQLY-LZYBPNLTSA-N 454.356 4.951 10 40 JJCB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 884150 QKWIBARVIVJAHO-UHFFFAOYSA-N 461.587 4.823 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC 4283984 LAHGSTJMVBOVTL-CYVLTUHYSA-N 451.610 4.809 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 9264710 MKSWMWYSSSZAJK-MTJSOVHGSA-N 487.581 4.549 10 40 JJCB O=S(=O)(c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 9600925 GNZXMZWNKKKIFA-LQWHRVPQSA-N 465.402 4.841 10 40 JJCB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 13025159 GCOWMYNFIJDHMW-HHHXNRCGSA-N 487.600 4.872 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406637 KDPLSDAPOHEPNK-ZHZULCJRSA-N 451.519 4.713 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223619566 UMBGDCJGPCAWSC-FTJBHMTQSA-N 477.678 4.690 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)c1 408786572 SJEHZCNETYIHEB-FYJGNVAPSA-N 494.414 4.996 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 409104799 IGYZHNDOWGEOOG-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S)c1cccs1 409328791 BAABMPZYNQPYTJ-HMMYKYKNSA-N 482.608 4.752 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccccc1F 409378427 PBDHTPFDZOEWRH-OYKKKHCWSA-N 489.572 4.854 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 851121 AVCNTNDGCPICKA-JWGURIENSA-N 460.515 4.647 10 40 JJCB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccccc1 2169330 UGIUBNHCAWJIOS-ODLFYWEKSA-N 482.901 4.973 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3C)C(=O)N=C2O)cc1Cl 2594659 ARCZWJFQCAGQJX-XSFVSMFZSA-N 463.921 4.708 10 40 JJCB COc1cccc([C@H]2Nc3ccc(I)cc3C(=O)N2c2cccc(F)c2)c1O 2746598 WVFWTDPXAKFAAY-FQEVSTJZSA-N 490.272 4.916 10 40 JJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 9193055 RPNWBUOTRRCJQR-MXRTVKJZSA-N 454.559 4.719 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(C)C 16575345 JGFSNKYPPIWDTD-NBBMTCPGSA-N 480.605 4.797 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101024907 PWQXOIODGMEKMN-SMIHKQSGSA-N 461.949 4.766 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 223231172 BYXQTMQBSPAIKB-UHFFFAOYSA-N 492.856 4.575 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1O 223461823 BSUKSAIAMPEQCQ-JWQCQUIFSA-N 455.587 4.762 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 408806425 NBGLKOJRMOQZNS-UDWIEESQSA-N 492.915 4.603 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC 409101456 YITHMWQHVCTZPJ-MDWZMJQESA-N 465.358 4.540 10 40 JJCB COc1ccc(OC)c(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)c1 4972724 MAXHDOXMSZGFSC-UHFFFAOYSA-N 453.292 4.568 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1OC 32701768 DUXHDWPDFXWPJD-GHRIWEEISA-N 477.633 4.561 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409062999 FDIFKCPTEUFTKE-VQGSWFTOSA-N 453.347 4.999 10 40 JJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 1410522 WYHACCMWXUJXHT-PDGQHHTCSA-N 493.972 4.585 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(NC(=O)c3ccc(I)cc3)cc2)SC1=S 3175162 GBRXXJGWYYCWKD-WJDWOHSUSA-N 494.379 4.765 10 40 JJCB CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1 3764449 AILWZBKQGPOWCI-LDADJPATSA-N 484.580 4.731 10 40 JJCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)s1 4972331 UMOBZXXKVLTDIS-GHVJWSGMSA-N 469.504 4.620 10 40 JJCB COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 8819984 WAJCBRNVTIHPGZ-STZFKDTASA-N 484.599 4.824 10 40 JJCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)S2)CC1 9187886 CMROAWZLZXEHNQ-JLPGSUDCSA-N 494.613 4.828 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 12274913 RKXXTGKGWUPYAV-DEDYPNTBSA-N 479.539 4.638 10 40 JJCB COc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 13896067 SNOGQTSBZKKDLY-PDGQHHTCSA-N 465.980 4.646 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223559629 FSBQEQHOMVEDRY-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223692462 NFALPXYAFMQNIK-JWQCQUIFSA-N 462.619 4.642 10 40 JJCB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(Cl)cc1Cl 408562013 WXOBBWZQNVVXMB-UHFFFAOYSA-N 495.340 4.784 10 40 JJCB COc1ccc(C2=C/C(=C\c3cc(Cl)cc(I)c3OC(C)=O)C(=O)O2)cc1 408741892 LVTNIWDNYVQHSJ-VGOFMYFVSA-N 496.684 4.860 10 40 JJCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C(=O)N1 409044317 BUWTXEBHORGEFY-UHFFFAOYSA-N 460.100 4.629 10 40 JJCB O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1C[C@H]1CCCO1 409088579 GHXIYECDWPSFRV-CNJGYECJSA-N 456.545 4.554 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409172430 HXHVLZWQXALJNA-MFOYZWKCSA-N 451.928 4.827 10 40 JJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 13120492 GPVXIJOQCXDNIU-BOPFTXTBSA-N 450.834 4.803 10 40 JJCB O=C1[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3O)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102760942 RZOPRTLUUCKVMN-TUNNFDKTSA-N 469.324 4.746 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1O 223461998 BSUKSAIAMPEQCQ-DQEYMECFSA-N 455.587 4.762 10 40 JJCB O=S(=O)(c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 408869220 RJZSBVNQZJTZAY-WWMYMODYSA-N 465.402 4.841 10 40 JJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N[C@H](C)c3ccccc3)nc12 1103775 HQNJKEHIQZSQRC-CXDFQFJYSA-N 464.616 4.786 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)cc1OC 9463478 QPIFBKYQGCWOER-BSMJIXEWSA-N 499.596 4.973 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 13776756 ZPDISLSLTRZSFZ-ZVDOUQERSA-N 487.493 4.640 10 40 JJCB CC(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 16321100 OWVXJVVFHAFLJH-NVNXTCNLSA-N 451.741 4.593 10 40 JJCB CCN(CC)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCC(=O)O)cc1 56897443 CNKTUFPFFARXQI-NRFANRHFSA-N 472.383 4.838 10 40 JJCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc23)C(=O)N(C)C1=S 59140072 ULIFPVFIEJGCEG-UHFFFAOYSA-N 495.398 4.780 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101481515 RMWIOLBATDPVBO-PWRODBHTSA-N 492.314 4.689 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C 223009601 XRWKSSUZAYWZSL-FGZHOGPDSA-N 485.451 4.871 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223544078 JDVOEQHOLWWGCS-BJKOFHAPSA-N 454.603 4.760 10 40 JJCB CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408872509 FOICQOYDASNTSC-BKUYFWCQSA-N 471.554 4.746 10 40 JJCB COc1ccc(N2C(=O)C(=Cc3ccc(C)c(OC)c3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 408986746 DIPQJNQVGDEODF-UHFFFAOYSA-N 488.565 4.769 10 40 JJCB O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1cccc(Br)c1 9189235 QJYMBTZFBKQJEK-PDGQHHTCSA-N 462.800 4.895 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223689118 SNVPVYHJLNMXBI-PKTZIBPZSA-N 469.010 4.678 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 225646916 ZBBXHPRYIMWGBM-UHFFFAOYSA-N 486.037 4.941 10 40 JJCB O=C(O)c1cc(Cl)ccc1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1O 257311803 ULBJAJXPJNFEGI-UHFFFAOYSA-N 478.932 4.875 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 408996909 FLGISSCNQJNQLJ-PDGQHHTCSA-N 472.335 4.821 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OC(C)C 9973004 SQMFYJSEDNJMLO-ZROIWOOFSA-N 477.389 4.698 10 40 JJCB O=C1/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 13779019 ZWJGBMYQWKDROL-PDGQHHTCSA-N 479.514 4.620 10 40 JJCB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854953 XEBQUJCYZGEZLW-NRFANRHFSA-N 484.025 4.632 10 40 JJCB C[C@@H]1C(=O)[C@@H](C)[C@H](c2cc(Br)ccc2O)N[C@@H]1c1cc(Br)ccc1O 33932722 OABITYYYJTZDBK-LXQUVBGXSA-N 469.173 4.850 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1 223268003 CFGYSZCZHLOMNR-XZOQPEGZSA-N 454.043 4.677 10 40 JJCB O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)NCc1ccccc1 408578312 XJTINHLCTFYMNR-HMAPJEAMSA-N 478.570 4.927 10 40 JJCB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C 408601082 FCFUSTNHIIWLCK-UHFFFAOYSA-N 470.978 4.820 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)c1C 408773317 IAFOUQBLXLSONE-GZTJUZNOSA-N 464.861 4.581 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 408852631 VFPZJMZSXRZLKX-JLHYYAGUSA-N 465.358 4.622 10 40 JJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 408946791 ZHIQETIRSDLNPP-UDWIEESQSA-N 495.850 4.633 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 408968220 XIMIDRYMTAYZBM-PXLXIMEGSA-N 450.498 4.617 10 40 JJCB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)CC1 409359000 VFNOJPALSLEHFP-YBFXNURJSA-N 488.949 4.593 10 40 JJCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2363124 XWEAXNFJJGPVOK-PGMHBOJBSA-N 478.643 4.736 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cccn1-c1ccc(F)cc1 9311619 FIZIVFDZYUXVGF-PTNGSMBKSA-N 460.317 4.755 10 40 JJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1 10059826 XDXXGVWISHWWHD-LPYMAVHISA-N 456.454 4.600 10 40 JJCB COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 27501210 VLLJADUTEVNBEK-BOPFTXTBSA-N 457.269 4.501 10 40 JJCB N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 41076716 UOAAFAZPUDCKAZ-QGUUBAPPSA-N 461.934 4.829 10 40 JJCB CC1CCN(C(=O)C2=CN(c3ccc(C(F)(F)F)cc3)c3ccccc3S2(=O)=O)CC1 49003818 DUWXYPNVUDPYQD-UHFFFAOYSA-N 450.482 4.731 10 40 JJCB C[C@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 260843281 PZUOJHLTYFRDLQ-MOPGFXCFSA-N 493.620 4.625 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=O)cc1 408761417 JYABDNBFKLQQMS-LFVJCYFKSA-N 457.530 4.722 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OC 408901846 HVCLIJFIQBAKGU-XNTDXEJSSA-N 483.352 4.714 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1 409235193 OCWNPPZQGKLOID-WSDLNYQXSA-N 479.533 4.917 10 40 JJCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cccc1OC 409249004 MIQCKTXIBFWRLO-HNEYUBDGSA-N 478.492 4.723 10 40 JJCB Cc1cccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1C 2223477 IEOPFQKVGUHEFN-JLPGSUDCSA-N 497.551 4.982 10 40 JJCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCCCCCCCCC(=O)O)C2=O)cc1 8870073 UNRFJNUHWXKGLW-CAPFRKAQSA-N 476.664 4.908 10 40 JJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 408529826 ICPBRJGQUJGXSX-JLPGSUDCSA-N 460.559 4.823 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408891636 ALPNOZPMJQTMGX-CHHVJCJISA-N 476.710 4.708 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)cc(Cl)c1 1314550 KJQFKRXRKQUOFD-UBKPWBPPSA-N 481.382 4.952 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3Br)C2=O)cc1 8819102 PMLGFEWCGNQDLK-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 9292392 LHXUHAAOUZZUOU-IYWFSZBXSA-N 458.653 4.629 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1Cl 41082608 UFDIORQWAWGPRK-IRUKKEKQSA-N 467.909 4.647 10 40 JJCB CCOc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003978 NFEROXJYKITQNP-UHFFFAOYSA-N 460.983 4.764 10 40 JJCB CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=O 59087253 WKTNVUYVSIGABT-UHFFFAOYSA-N 486.753 4.539 10 40 JJCB O=c1[nH]n(C2CCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc([N+](=O)[O-])s3)c12 95475067 YDGUBLHPXKHYOI-UHFFFAOYSA-N 452.448 4.787 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223652663 XTPWIWXKMWTJQZ-DHIUTWEWSA-N 469.010 4.678 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1 408938429 QLWXFMOAUMDKDS-HAHDFKILSA-N 476.916 4.984 10 40 JJCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 409160340 GRYKCILJKJAOIU-GOSISDBHSA-N 484.412 4.585 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)c1 409220987 IVJSEUXFEOFCGS-HAHDFKILSA-N 453.473 4.804 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)cc1O 409249291 SXBFRCATCCAWLS-CXUHLZMHSA-N 489.391 4.508 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S 409338890 QFSZTDAJYLUPIX-DEDYPNTBSA-N 456.589 4.632 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(I)cc1 8820301 CPIMCGIRXWLRLZ-RVDMUPIBSA-N 498.367 4.504 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1C 9891797 RCAWZUSJBOESMI-WQRHYEAKSA-N 465.849 4.791 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1 59135943 QOWULZLQASBEJF-CPNJWEJPSA-N 477.517 4.691 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC 409088188 FGPZQVJMGPKIBR-YDRQLGOLSA-N 472.426 4.627 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409237711 LCYDHPQVVDBCLC-PCLIKHOPSA-N 494.551 4.787 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(F)(F)F 2407771 MTAVFIHBODWXAQ-YVLHZVERSA-N 480.489 4.664 10 40 JJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc3c(c2)OCO3)C1=O 6191725 NGEVRKXBVGXSCH-KFURHSOJSA-N 452.557 4.592 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 8453144 RETWOFPUKCRNGV-HKOYGPOVSA-N 472.541 4.703 10 40 JJCB O=C(O)c1ccc(S(=O)(=O)Nc2cc(SCc3ccco3)c(O)c3ccccc23)cc1 8870865 NMPDOOFRUYLGDH-UHFFFAOYSA-N 455.513 4.930 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1 9293366 MIUJVWMFDKHJMD-AXZYZTBISA-N 473.533 4.909 10 40 JJCB O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc(O)c(CN3CCCC3)c2o1 11025545 DNKCLMNKGHTCSC-UHFFFAOYSA-N 468.303 4.630 10 40 JJCB biogenic Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 33590232 NFFNSIRXZHJTGG-UTQUROFUSA-N 474.502 4.571 10 40 JJCB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(C(=O)OCC)c1C 101112534 GHIGOZGVGGGOSW-LFIBNONCSA-N 475.954 4.782 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408820223 VXPFKYKZQPGUPE-MHWRWJLKSA-N 455.848 4.692 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cc(C)cc(C)c1 408887036 LNHJRSQCXQOGRJ-MOSHPQCFSA-N 474.488 4.697 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(C(=O)OC)=C2C)cc1 409022956 ABDGQSTXXJCDGL-UYRXBGFRSA-N 470.319 4.503 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)c1 409093653 AXYSSEJUORQCDP-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1Cl 3462967 UDUSJSDJPNPLLM-UDWIEESQSA-N 490.899 4.592 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 12428994 UDSSIJUPXWYCDQ-UDKICSLYSA-N 456.498 4.788 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc5ccccc45)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100416654 ZSENKXVEMHFTBR-UODIDJSMSA-N 487.511 4.843 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Br)c1 223268684 MHCLETPHLGCGRL-PKTZIBPZSA-N 498.494 4.786 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 223308708 SWWDKCDYQCXNKX-ZTCOLXNVSA-N 450.583 4.780 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 409247193 GTGNBIXGIDOWRM-XSFVSMFZSA-N 479.989 4.978 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O 409344240 IDVOCDYLHAINCD-AUWJEWJLSA-N 456.423 4.734 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 8819324 XCCHUSJXDYUPQR-NKFKGCMQSA-N 480.655 4.768 10 40 JJCB C[C@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N(C)Cc1ccc(N2CCOCC2)cc1 12536490 GRFQVGQMJITLMT-MRXNPFEDSA-N 466.632 4.743 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 59248177 YCIVZMNGGSSAOS-SRZZPIQSSA-N 491.931 4.729 10 40 JJCB CCCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 95630008 RMIKWGWBLWYHJM-NXCFDTQHSA-N 471.557 4.593 10 40 JJCB Cc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=O)N(c5ccc(Cl)cc5)C4=O)o3)[nH]c2c1 408965764 LUOGACFNMCQKNS-LFIBNONCSA-N 478.917 4.935 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 409221319 OLYVBADSFSEWJT-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409333212 RHAKTWTYQCEBOU-LZYBPNLTSA-N 454.356 4.951 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S 409352611 XEGZGTXCHMZKNH-DHDCSXOGSA-N 453.326 4.711 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1c(Cl)cccc1Cl 1281934 JZOFLQXSCPWJCB-IUXPMGMMSA-N 484.382 4.867 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(F)(F)F)C1=O 8819298 BOAXCAFJTJRUAH-ATVHPVEESA-N 466.506 4.944 10 40 JJCB COC(=O)c1c(C)sc(C(c2cc(OC)ccc2OC)c2sc(C)c(C(=O)OC)c2O)c1O 12372129 WKXYWUABNFDMGL-UHFFFAOYSA-N 492.571 4.608 10 40 JJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C(=O)c1ccccc1I 13550579 KFPSCIDQJLVFFN-NTEUORMPSA-N 485.755 4.986 10 40 JJCB CC[C@@H](C)n1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccc2c1=O 20970074 PQIPVBQMALCFFA-MRXNPFEDSA-N 497.576 4.874 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1 36612275 OAGLZOWDNLRSKJ-QRVIBDJDSA-N 499.523 4.525 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Br)cc1 223268994 LHIAJFHODHJZJH-XZOQPEGZSA-N 498.494 4.786 10 40 JJCB O=C(O)c1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 409249350 UAFGLFGXRDJNPJ-UHFFFAOYSA-N 477.476 4.759 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1C 409250373 KNQZGIPEFIWMBG-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB COc1ccc2c3c(n(C[C@@H]4OCCc5ccccc54)c(=O)c2c1OC)-c1ccccc1C3=O 604404102 CGQVCCMBBDXTGI-QFIPXVFZSA-N 453.494 4.544 10 40 JJCB biogenic CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 665116 NMPBZOVYNFAYDU-CPNJWEJPSA-N 481.371 4.832 10 40 JJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 9311605 RIQXPDWTEPZJDC-CPNJWEJPSA-N 473.504 4.799 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)o1 108229523 OKEXEHZPGTWMAZ-NDENLUEZSA-N 467.524 4.971 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275063 PHZHVEVHIRAHGX-AOYPEHQESA-N 461.679 4.894 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 257248129 JCFWNLIPFMCPQZ-HSZRJFAPSA-N 450.579 4.528 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 408801465 TXBXQABLJCDCIP-OQLLNIDSSA-N 477.742 4.866 10 40 JJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 409367572 AOUPYLCNHLYNGJ-AUWJEWJLSA-N 468.343 4.630 10 40 JJCB COc1ccc2c3c(n(CCCCCc4nnc5ccccn45)c(=O)c2c1OC)-c1ccccc1C3=O 604404151 KEILLEVCLVJLIN-UHFFFAOYSA-N 494.551 4.686 10 40 JJCB biogenic COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 1001153 XDEYBNBVZALCRN-MHWRWJLKSA-N 478.389 4.816 10 40 JJCB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)Cc1ccccc1O)CC2 2018257 SOFSXTKPGSIDCI-NRFANRHFSA-N 477.557 4.573 10 40 JJCB biogenic,in-vitro Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)cc1[N+](=O)[O-] 32116682 AGHWWCRJZMIBQB-GZTJUZNOSA-N 451.435 4.974 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 103919945 OFSKTWXXAVIIGF-UNOMPAQXSA-N 485.363 4.711 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223658850 OJYRKTDUSDMAIN-RPWUZVMVSA-N 483.037 4.987 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc21 225733198 CUOJHNGDCISIMR-KRWDZBQOSA-N 459.637 4.503 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)cc1 408757748 QJCLTJRZAAABME-LFVJCYFKSA-N 480.524 4.707 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(-c2ccccc2)n1-c1ccccc1 408779100 RGDBCSMFJORRIQ-HZHRSRAPSA-N 491.503 4.848 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)c1 409102653 DWIFALVISJDIGU-ZVHZXABRSA-N 470.573 4.859 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(Cc4cccs4)n3C)c2C)cc1 9442772 IIZWHKXBMXKUBU-UHFFFAOYSA-N 480.615 4.637 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1Cl 9463494 ZJECTHKDINSWPP-HPFDFQMNSA-N 481.965 4.540 10 40 JJCB CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)CC1 19691033 SMHCUWDRCFBKOR-UHFFFAOYSA-N 468.859 4.711 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccc(F)cc1 32109423 LQFLJDMXQYTALF-IXODWGBUSA-N 452.511 4.688 10 40 JJCB COc1ccc(/C=C2\C(=O)N(c3cc(OC)c(Cl)cc3OC)C(=O)N=C2O)cc1Cl 33398419 UCBUNJPAZKENKV-WDZFZDKYSA-N 451.262 4.526 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59135302 QUULMECUGZAQCG-YBFXNURJSA-N 478.436 4.657 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)o2)cc1 108011006 LLXXTWORRHYIFK-RCCKNPSSSA-N 474.538 4.517 10 40 JJCB CCN1C(=O)/C(=C\c2cccn2-c2ccc(OC)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 409013259 TWEZPVZXYNOUNI-RCCKNPSSSA-N 465.962 4.703 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1Br 409347826 NMEPVDUUFJXQLP-CPNJWEJPSA-N 486.391 4.724 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 1452276 GJKGQHBTIZUQLT-APSNUPSMSA-N 469.371 4.557 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 13756334 NDQPSLACEYGVTM-XPWALMASSA-N 485.923 4.652 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)c1 408786980 ZBORLFZSKJPJMG-SRZZPIQSSA-N 491.931 4.729 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccc(F)cc2)c1 408807120 KHLLGEDKVTZFCR-SRZZPIQSSA-N 480.879 4.733 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 408967156 SSKVORQTVSIPHH-FYJGNVAPSA-N 450.853 4.725 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCCCCC3)c12 409148320 YJSDGFOIXRDIRC-ZHZULCJRSA-N 455.649 4.827 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 409245011 MCBCWFSRCUMMRA-LDADJPATSA-N 480.929 4.526 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4ccccc4c3)C2=O)cc1OC 8819394 MRRBYBNLDDDZEI-MTJSOVHGSA-N 464.568 4.697 10 40 JJCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)cc1 9295819 RZOULBXFMNCMDN-QNGOZBTKSA-N 474.538 4.819 10 40 JJCB Cc1oc2c(CN(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 24231911 LOOMGCMCHGCYMN-JOCHJYFZSA-N 489.593 4.663 10 40 JJCB N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N=C2SC(Cc3ccccc3)=NN12 41108511 SLPRATSBDRMZPB-VFHVDCSJSA-N 490.932 4.901 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C 101114152 HECOLHIBBZRRTH-RCCKNPSSSA-N 496.976 4.868 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 408798469 FJWMKRQWHYOAPM-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 408990238 WJJMPTIZIFNULN-YVLHZVERSA-N 462.727 4.988 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 409092489 YZIKOYZDOUTACC-SFQUDFHCSA-N 480.929 4.526 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c(OC)c1 409106284 QXXWHAVTLHVPKG-GZTJUZNOSA-N 496.629 4.836 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 1148386 FBZMPEPPUMNUGQ-VXLYETTFSA-N 463.490 4.634 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 8815740 BQZFWNQRUAYYQH-ZVHZXABRSA-N 456.546 4.551 10 40 JJCB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)cc1 9424049 ALABFLUHXVUNGN-SDHOMARFSA-N 458.514 4.622 10 40 JJCB C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 13670661 PDAIDZBNYRSJEN-NRFANRHFSA-N 493.629 4.550 10 40 JJCB CC1(C)NC(=O)N(CCSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)C1=O 31444393 LZZXVDWJEMPTKL-UHFFFAOYSA-N 454.983 4.674 10 40 JJCB O=C(O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1 85875392 HDAWWMKRVPCXPU-UHFFFAOYSA-N 459.458 4.906 10 40 JJCB biogenic CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c(C(=O)OCC)c1C 101112493 ZDZMNQSDVMNLLC-LDADJPATSA-N 469.563 4.745 10 40 JJCB CC1CCN(c2ccc([C@H](C)NC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)CC1 222928975 MUTDSDXMCGWPQX-IBGZPJMESA-N 493.620 4.625 10 40 JJCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)c2C)c1 9157807 NEXQTMODQJSFFF-VWLOTQADSA-N 468.557 4.538 10 40 JJCB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)cc1 10112171 XTBAZSXYIADJOQ-UHFFFAOYSA-N 484.021 4.979 10 40 JJCB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(O)c(Br)c2O)N3)C1 17086068 LTHSJUQMUMNPNL-BAHMLBHCSA-N 488.201 4.663 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 20037513 ZQBAODTWGCPNNJ-YRXVWQKNSA-N 483.933 4.823 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc(OC)ccc2OC)cc1 20288463 KLOWIADKVBGUJJ-JLPGSUDCSA-N 461.493 4.989 10 40 JJCB CN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 26967302 STOQSPIPXQUGHR-RCBBPTIPSA-N 491.805 4.616 10 40 JJCB COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 100280773 MYMIVTGCQRRSBM-LFIBNONCSA-N 460.437 4.734 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c(OC)c1 208260260 MRVFQTLAEVJIQJ-XKYMITNMSA-N 497.979 4.746 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)ccc21 225733028 SULGNUILLMHHBE-SFHVURJKSA-N 473.664 4.749 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2cccc(C)c2)c1 408806793 BUBOSANKJPGFAU-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408875679 LEUHUTAALNVKEM-UYRXBGFRSA-N 450.853 4.725 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccccc2Cl)c1 408899269 OYTIBYBAEWDDOO-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(N(C)C)cc2)N2N=CNC2=N3)cc1 843628 DDOIVWUVXKAHKD-IZZNHLLZSA-N 451.530 4.565 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 1178216 MHKYEMFQYHBHKY-ZDLGFXPLSA-N 495.850 4.633 10 40 JJCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2381911 SGFZMSYVLVUOLX-XLXASQRYSA-N 466.496 4.882 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1Cl 8407927 FZIDMUAKBSELSN-CAPFRKAQSA-N 478.932 4.658 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 13897955 IOVWIEPTDOTTLO-KUYAPCGNSA-N 484.965 4.754 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 35153276 ZUBWUXZLONMOHQ-MOSHPQCFSA-N 467.294 4.629 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 408939458 SQZSCEDNJMWGRA-HAHDFKILSA-N 476.916 4.984 10 40 JJCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409196231 OFCLTNKDEUJPLS-YBFXNURJSA-N 482.543 4.746 10 40 JJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409239150 GRCLENRLALGCSL-ZHZULCJRSA-N 473.504 4.799 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c1 409242412 USDLFGBRWULQFI-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@H](C)CC 1416564 UHANYDNCQBXIGO-NPQOUYBPSA-N 456.589 4.809 10 40 JJCB O=C1/C(=C\c2cccc(O)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O 1635966 IVWHOSKGAIBAAZ-LGUFXXKBSA-N 484.515 4.735 10 40 JJCB CCOC(=O)c1c(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CCCC2 2889874 FWGGOXKKEBOUFG-SFHVURJKSA-N 463.559 4.718 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 8958816 ONVRCWLMBMIMHC-JCMHNJIXSA-N 473.616 4.617 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 16914358 VOENLVFGFBQVMF-AREMUKBSSA-N 463.025 4.699 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1 44886057 XPQJDDYTGKJKRA-UHFFFAOYSA-N 484.021 4.979 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC 59435718 UXAIVVDDJXSRHW-BOPFTXTBSA-N 462.727 4.988 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 408805032 CLDXXSCPTPZIRR-UDWIEESQSA-N 491.887 4.802 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408893336 MJFWXYLUDMWFIO-BOPFTXTBSA-N 487.306 4.633 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 408983729 HJMCNTODZFXDBY-NDENLUEZSA-N 476.916 4.902 10 40 JJCB Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)c1 409198607 IMUCPSXDJJHMDF-KQWNVCNZSA-N 471.557 4.742 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409252299 XEDGYNOCKGRVJG-MFKUBSTISA-N 470.573 4.805 10 40 JJCB CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c3ccccc32)CC1 5945872 JMHIUNKBWZZRJJ-PXLXIMEGSA-N 476.577 4.535 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O)=C\c1ccccc1 8820563 ITJNGPAVOBMSTC-QIROLCGISA-N 483.571 4.867 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 10113495 MIPVKMOJLRABLQ-NDEPHWFRSA-N 471.626 4.991 10 40 JJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 12273969 DXTUISJJJQVOHB-JZQBQCRLSA-N 480.523 4.752 10 40 JJCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=N)N2N=C(COc3ccccc3)SC2=NC1=O 41108041 JHZFEDDORLSDRT-JLFKZYKSSA-N 476.949 4.532 10 40 JJCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O 59138869 WNFBQGGWNJZAOK-VBKFSLOCSA-N 451.822 4.517 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2c1 408772328 KRNFRDGFBCYIMZ-PXLXIMEGSA-N 460.555 4.777 10 40 JJCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 408810081 IDLAWZLPZADMQS-XQNSMLJCSA-N 456.498 4.719 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1 408891579 SSLQNRWKEUZFIJ-OEAKJJBVSA-N 474.488 4.642 10 40 JJCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 408940980 WEFOZRYOXATVRI-HMAPJEAMSA-N 462.889 4.594 10 40 JJCB CCOc1cc(Br)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OCC 409077593 GBUGFHFGKINBMX-OLWAXZHHSA-N 472.426 4.627 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409239985 IVQPRQRVQPPBMV-GXDHUFHOSA-N 488.308 4.993 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br 409254287 WVQMJNLXGHDYHZ-GZTJUZNOSA-N 473.392 4.803 10 40 JJCB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 409266713 XUWPTCMFPYXEOH-HAHDFKILSA-N 497.551 4.604 10 40 JJCB Cc1ccc(-c2c3c(nc4nc(N5C[C@@H](C)C[C@H](C)C5)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 10339159 FYKQXFZDIPXLCH-IRXDYDNUSA-N 450.542 4.987 10 40 JJCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1Cl 16427975 YSKACHFVVUBOHW-XGICHPGQSA-N 485.732 4.782 10 40 JJCB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951892 LPMFFMWXJHITFA-NRFANRHFSA-N 493.725 4.933 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1Cl 408692047 CFABYERPWJSGFA-CPNJWEJPSA-N 468.937 4.722 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Cl)cc1OC 409236854 GIDBVDKPNZFMIA-VGOFMYFVSA-N 484.883 4.597 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)cc1 409247945 IVANANPKHIHLEK-DEDYPNTBSA-N 460.511 4.600 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c(C)c1 409354399 DUPJBVHFCNJSGI-ODLFYWEKSA-N 488.407 4.807 10 40 JJCB CCCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nnc1-c1ccncc1 9729730 HRZUGXNFYOEHHQ-UHFFFAOYSA-N 475.574 4.861 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 9907494 VIERZYUAGWXTOL-GZTJUZNOSA-N 464.861 4.581 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 100414282 WUODJBGZKIXOMF-XPWALMASSA-N 485.923 4.652 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C 223009433 XRWKSSUZAYWZSL-VXKWHMMOSA-N 485.451 4.871 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCC)c(Cl)c3)C2=O)cc1 408899600 PKQWLDTZSUGLIJ-RGEXLXHISA-N 456.926 4.974 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C(=O)NC1=S 408967225 RDVBQVGZDRPRAT-PXLXIMEGSA-N 466.566 4.782 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409221972 AGLVZQMIDKSTGM-VZWMTCDZSA-N 478.492 4.723 10 40 JJCB CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 409332545 QDOAIRSLVMAEMH-UFFVCSGVSA-N 479.583 4.620 10 40 JJCB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)N(C)C(CO)=C2O)[C@H]1/C=C/C=C/C[C@H](C)O 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N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9304424 GGNZXAJPSBNRJD-VFHVDCSJSA-N 481.965 4.622 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccccc5[N+](=O)[O-])CC4)=NC3=O)o2)cc1 9313368 PMIHJZMXUYPGAH-KQWNVCNZSA-N 474.542 4.956 10 40 JJCB O=C(COc1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 16430981 NNDACEDGIDLYNV-SOFYXZRVSA-N 468.339 4.529 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cc(OC)ccc2OC)cc1 20288469 PUIZMDQZRQYWHV-JLPGSUDCSA-N 488.500 4.758 10 40 JJCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3ccc(Br)cc3o2)c2ccccn2)cc1 28288239 BRZUIUSXCBYRMS-UHFFFAOYSA-N 478.346 4.864 10 40 JJCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 32116768 QYHGUHBPOFGNIP-QPLWNTGLSA-N 468.981 4.908 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 34718345 ZFXDIOXJHOASTL-STZFKDTASA-N 493.357 4.888 10 40 JJCB CCCc1nnc(S)n1CC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 40150122 PZODDCRKRRYUMY-GOSISDBHSA-N 477.556 4.831 10 40 JJCB CN1/C(=C/c2cc3[n+](cn2)C(=O)[C@H]([C@H]2Sc4ccccc4N2C)S3)Sc2ccccc21 138583216 ADHBJYBYDYEKCD-FYYLOGMGSA-N 463.633 4.592 10 40 JJCB CCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408527150 AZXSJZPUDPLRFB-GZTJUZNOSA-N 477.742 4.948 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCC)c(OCC)c3)C2=O)cc1 408897937 JRVTUZUPZZRFPG-PGMHBOJBSA-N 466.534 4.719 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3O)=NN12 10214000 PKDVRSUNFDPDLJ-IBGZPJMESA-N 486.366 4.647 10 40 JJCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccccc1OCC(=O)Nc1cccc(C)c1 36612691 RQWSCISWUBGOOL-HAHDFKILSA-N 469.497 4.517 10 40 JJCB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 41076300 HZUNQRLLSVJOFP-NSXHUQQPSA-N 461.469 4.593 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 208729734 ZVZZFZPKMDHTSL-BOPFTXTBSA-N 496.273 4.592 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 408982890 FSLITUXHKZAZMA-HMAPJEAMSA-N 474.488 4.642 10 40 JJCB COc1ccc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1Br 409144624 MERYXURMQZGZSA-GOSISDBHSA-N 450.423 4.862 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)cc1 409334734 VZLSIJMMNFCDLE-AQTBWJFISA-N 468.581 4.986 10 40 JJCB COc1ccc(OCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)cc1 1262809 UARFNWNBJQDIFW-HAHDFKILSA-N 485.496 4.824 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 2687946 RJQCDBSTSVHQLN-ATVHPVEESA-N 455.586 4.667 10 40 JJCB COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 8495925 WPILBRKKDIMASD-USJZFIOISA-N 499.976 4.982 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(-c5ccc(F)cc5)o4)C(=O)N=C3S2)cc1OC 13759621 HMIOKVUJHILPRM-ITFAFNGDSA-N 490.516 4.965 10 40 JJCB C[C@@H](COc1ccccc1)Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 13940630 PULTZXQZKMEWIO-WYRWUVFZSA-N 451.526 4.818 10 40 JJCB CCc1ccc(OCCCNC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 20028333 OPHSDHGCDGNDEL-UHFFFAOYSA-N 485.609 4.856 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccco2)N2CCOCC2)c1O 20412151 CEWPRQWXEUBGMC-FQEVSTJZSA-N 452.532 4.508 10 40 JJCB O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 27015556 IAZXIOZZUXOLNE-MAUOSMQUSA-N 451.569 4.686 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 35377376 RCUALOZKHXUOCK-ODLFYWEKSA-N 484.295 4.942 10 40 JJCB CCOc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 95470865 LXJPKKFDAKPBDK-HAVVHWLPSA-N 490.585 4.913 10 40 JJCB O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422827 GTLVCTNRAWPBJU-CIAFOILYSA-N 467.660 4.736 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273324 VEQNQVJEFFCUKW-DNQXCXABSA-N 468.070 4.985 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 224389974 OGSMUCOFEIZVOC-UHFFFAOYSA-N 483.609 4.568 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 408601585 KPIPWZGIFZAMHF-YBEGLDIGSA-N 472.240 4.828 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccccc2F)c1 408892130 BGOCFSAAIXSKHO-RGVLZGJSSA-N 480.879 4.733 10 40 JJCB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409203498 XMGCYTXIFRJRDD-LICLKQGHSA-N 463.895 4.678 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)cc1Cl 409243983 VUZYZBIEHWUKHF-WQRHYEAKSA-N 481.917 4.956 10 40 JJCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccc(F)cc12 10232867 ZMWXYRSRVVPNIH-OCKHKDLRSA-N 473.982 4.521 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)O 16688964 WDCADIHLBVICKE-MFOYZWKCSA-N 483.489 4.973 10 40 JJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18179985 JJIYRXZFRCGGNL-XPWALMASSA-N 485.923 4.652 10 40 JJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408533952 PQBGSKUAKWNPNC-CYVLTUHYSA-N 493.011 4.548 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408899188 NXFCFWRPDWTCOH-OEAKJJBVSA-N 486.524 4.566 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC 408918059 FPZPMGGGRYJEDN-NWRYFCBHSA-N 476.957 4.886 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c(OC)c1 409104279 HEEQDHLSOQDKIA-NDENLUEZSA-N 495.988 4.596 10 40 JJCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC 409214229 RQKYQXINRQDVIT-NDENLUEZSA-N 457.573 4.660 10 40 JJCB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 9438629 LCYLZWJWAAWEHS-AWEZNQCLSA-N 461.901 4.862 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccccc12 10232953 IFIZZTTWTBDAPK-MOSHPQCFSA-N 470.019 4.772 10 40 JJCB COc1ccc(OC)c(N2CC(=O)N(c3ccc(C)cc3C)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1 15412767 OUGVGNVNPAGSET-MHZLTWQESA-N 473.573 4.508 10 40 JJCB O=C1N=C(O)/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1cccc([N+](=O)[O-])c1 16450101 UVIOPMHQAWXYNM-UNOMPAQXSA-N 461.405 4.820 10 40 JJCB N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084896 GKUZUBFSEIETHE-OTLVRQKTSA-N 457.968 4.757 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c1 408742567 RSPUEKANAULFAR-ZVHZXABRSA-N 473.598 4.941 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(C)cc1 408812411 MXBJBDDQDKYPET-HZHRSRAPSA-N 486.524 4.648 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Cl 408872264 CCZSACUPEZCKJG-KGENOOAVSA-N 460.917 4.996 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1Cl 408982665 DUBCYAVUSOAJPK-MHWRWJLKSA-N 485.279 4.926 10 40 JJCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)CC2)cc1 409067261 XGQWQXHLCKALHH-UHFFFAOYSA-N 483.612 4.563 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c1 409229964 WFQZTMFXMJXZQI-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)c1 409234953 BIPNRRWSCWKMNX-CIAFOILYSA-N 487.581 4.549 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccc(C)cc1 8411375 SFRQAQGHFPXEGZ-AHBWAQPJSA-N 485.363 4.594 10 40 JJCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 9193689 BAUSIIWMFSARGA-KEVKATSASA-N 480.564 4.853 10 40 JJCB CCN1CCC(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)CC1 11216416 FDAJHLAKORSOFC-UHFFFAOYSA-N 469.054 4.944 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223694076 BPQDCSBGFNZNJH-DNQXCXABSA-N 483.037 4.987 10 40 JJCB C[C@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225951853 TUAINZNIKASPEZ-NRFANRHFSA-N 493.725 4.790 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)SC2=S)cc1 409334268 WMRACVWWGUGJJF-SXGWCWSVSA-N 464.362 4.627 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 1314788 VUSDVINVPZQNBQ-GHSFWCQGSA-N 450.524 4.586 10 40 JJCB Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1 1786863 BSXBFKCQTVKFOX-UHFFFAOYSA-N 470.352 4.519 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 8843003 CESCABJPLUHKLR-OVCLIPMQSA-N 494.331 4.797 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1C 9311465 MWWOKYIQQASZQE-UYRXBGFRSA-N 480.387 4.688 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)C(=O)N=C3S2)cc1 30702473 YVRQBVKOUXILBO-FZAWDKCWSA-N 457.471 4.831 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 54360705 SFLRNENIYILOPJ-QNGOZBTKSA-N 467.616 4.881 10 40 JJCB CCOc1c(Br)cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1OC 59861253 XOBICJRTLSJQTL-OQLLNIDSSA-N 473.323 4.980 10 40 JJCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 101122986 NBCNIMFWUNBYAK-PCLIKHOPSA-N 490.629 4.520 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223693408 CYNCJZSEHHFCAR-BJKOFHAPSA-N 483.037 4.987 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)c(C)c1 409134540 WABRYOBKSQNLAK-FYJGNVAPSA-N 488.569 4.759 10 40 JJCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1 409243192 QEJJUQMOJUCMOJ-RGVLZGJSSA-N 464.522 4.612 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 8722068 PDDBVJPOBQBTLM-YBFXNURJSA-N 484.295 4.942 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cc(OC)ccc2OC)cc1 20288460 SWSDHTIMGLAJFP-UQQQWYQISA-N 473.529 4.858 10 40 JJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C 208236081 UKABNHYIDXGDQP-BRFSQIRFSA-N 451.567 4.687 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c1 408784908 DCYCKMQNOYXOON-GHRIWEEISA-N 490.566 4.537 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC 408804993 IFILISHAMATPBZ-OVCLIPMQSA-N 493.741 4.566 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Cc1ccccc1Br 408873742 WQFWVDSIUIVHGW-HKWRFOASSA-N 477.383 4.871 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 408964713 DEJSLHZHHFQTBE-LPYMAVHISA-N 491.931 4.591 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)cc1[N+](=O)[O-] 409230742 FZKSVDWJNHKHME-LFIBNONCSA-N 465.849 4.791 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C)cc1 2287024 WBAPYCLBGWDQQP-KOMLCTQHSA-N 469.584 4.603 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9161108 ZPDISLSLTRZSFZ-DYXWJJEUSA-N 487.493 4.640 10 40 JJCB N=C1/C(=C/c2c(-c3ccc(Cl)cc3)nc3sccn23)C(=O)N=C2SC(c3ccco3)=NN12 33531652 IZAHFNJRWJTRLM-CYUXLGBPSA-N 478.946 4.977 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc(-c4sc(-c5ccc(C)cc5)nc4C)n[nH]3)CC2)cc1 38486473 CCOFYQKWDJHZBH-UHFFFAOYSA-N 473.602 4.788 10 40 JJCB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2)cc1 260801628 IWEIDCXGTPTGCW-FPOVZHCZSA-N 490.069 4.608 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)NCc3ccccc3)SC2=S)cc1 408572093 FFIOFKSYJXJYQG-HAHDFKILSA-N 490.606 4.796 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C)c1 408804735 GZYYOYDMWXDQDY-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)cc1 409010768 LCJRCVSRGKLBPD-PDGQHHTCSA-N 497.370 4.857 10 40 JJCB CCOC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409033476 FHFCWWXFOWUNBZ-GHXNOFRVSA-N 488.796 4.784 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 409046866 SBUIOZFDFQATBY-FARCUNLSSA-N 492.154 4.565 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCC1 409360774 PVUGVFMYJWBXLK-PXLXIMEGSA-N 482.627 4.801 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223721218 BYCARDYJFGLQTO-RPBOFIJWSA-N 462.619 4.723 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1C 408785956 CNBKXPUXSGIWOY-WOJGMQOQSA-N 480.929 4.746 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc2ccccc12 408802038 YFHYHFVJRKQHFU-BUVRLJJBSA-N 494.503 4.799 10 40 JJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 408915511 WQCJJBWPDXEHJK-BOPFTXTBSA-N 455.239 4.515 10 40 JJCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409330270 KJICUYANFLFHEX-MHWRWJLKSA-N 453.372 4.938 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)o1 409343193 HSCCPQORRWKWQK-JMIUGGIZSA-N 498.463 4.906 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 666318 LTNNXYFKECKVFF-NDENLUEZSA-N 480.879 4.733 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 9373046 IZAJWGYPNCPOCR-MKYLKIGJSA-N 490.654 4.641 10 40 JJCB Cc1cccc(OCC2=NN3C(=N)/C(=C\c4ccc(-c5ccc(C(=O)O)cc5)o4)C(=O)N=C3S2)c1 9805471 SNNNOSJMEFMQQP-VYIPLNHISA-N 486.509 4.651 10 40 JJCB COc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1 13512377 BDBACVMQFUUHHQ-PXLXIMEGSA-N 451.482 4.506 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 20210257 YWCNQMUUTZJOEM-BOPFTXTBSA-N 466.837 4.554 10 40 JJCB COc1ccc(CCN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 20288589 KRTKULFBYZVFHW-BWAHOGKJSA-N 459.521 4.700 10 40 JJCB CC(C)Oc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96222037 ZMMYRUOHCMTUBJ-INIZCTEOSA-N 490.464 4.511 10 40 JJCB biogenic CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 224957218 OGVDKPOFMJNXHB-UHFFFAOYSA-N 493.673 4.970 10 40 JJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 408605106 WUVKHZHGGGQATG-BOPFTXTBSA-N 485.279 4.706 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)ccc1Br 408762300 JYLWHXLTBFPMBK-UDWIEESQSA-N 496.336 4.971 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1Cl 408836701 ULPZJTQNHJAOHQ-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NC3CCCC3)c12 409145667 QONMFHMBEAJCOU-ZWAQGKOVSA-N 497.686 4.643 10 40 JJCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 409370857 FENZRRCPRAACJF-VIZOYTHASA-N 499.357 4.848 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 9428085 CKXSEJZFZINDPB-STZFKDTASA-N 465.600 4.704 10 40 JJCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br 59138781 HKBADPHQMJOBHS-XMHGGMMESA-N 478.346 4.865 10 40 JJCB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O 224958854 LSPHZWOPIPNKCI-UHFFFAOYSA-N 491.657 4.800 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1C 408764277 LYHGKAOIYPQLAF-HAHDFKILSA-N 492.535 4.563 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccc(C)cc2)c1 408812621 WZUNJCIBINMNQN-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F 408871824 ZYPXVIQADUMLOR-XSFVSMFZSA-N 479.305 4.845 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 409009022 BEFHWUZNWDLLPJ-WOJGMQOQSA-N 484.737 4.868 10 40 JJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409058928 PJPBACWDVZPHON-QFEZKATASA-N 455.558 4.979 10 40 JJCB CC(=O)NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)SC1=S 1239124 HVTXZXBWBGRHOP-ZDLGFXPLSA-N 477.405 4.589 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C3\C(=O)Nc4cc(Br)ccc43)SC2=S)cc1 1248141 NKYHUYAFQQSNGW-FOCLMDBBSA-N 461.362 4.576 10 40 JJCB C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 13670660 PDAIDZBNYRSJEN-OAQYLSRUSA-N 493.629 4.550 10 40 JJCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 13942697 RPOHJUZDHXYAKW-KYYPIKSYSA-N 488.506 4.965 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 32193750 OOKYHYGIZVMEGL-IUXPMGMMSA-N 470.319 4.672 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 41108298 SUXHHESGCQVGEE-QGNOBFDASA-N 485.569 4.883 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1Cl 59138809 NUUPECOLZYERFM-FYJGNVAPSA-N 491.931 4.543 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(=O)O 223463001 RNGVQDPCDLHFHG-DQEYMECFSA-N 483.597 4.755 10 40 JJCB O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)NCc1ccccc1 408577304 SGXLAFXIQNHGSV-HAHDFKILSA-N 474.607 4.783 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 409239651 ZZNBXLIHUFFXBW-GZTJUZNOSA-N 497.916 4.657 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1 409249854 LZFMGXPWKDMVJG-JLPGSUDCSA-N 483.499 4.894 10 40 JJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 409373484 UMUBMAGLTGMSCT-VGOFMYFVSA-N 469.331 4.840 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1cccc(Cl)c1 1108166 YBVVEXWVGFDZCZ-ZSOIEALJSA-N 453.770 4.649 10 40 JJCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 9884823 QQHCIWOUJKIMQU-ZBQKXELDSA-N 486.354 4.773 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCc3ccccc3C2)cc1 16914437 IGZYAQAHTIXAGF-NRFANRHFSA-N 468.395 4.638 10 40 JJCB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 25388462 FQRYCOGLFDMAQP-IBGZPJMESA-N 493.629 4.750 10 40 JJCB COc1ccc(N2CCN(CCOc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3)CC2)cc1 54307043 RTTUSZFCQIVOSC-UHFFFAOYSA-N 470.569 4.978 10 40 JJCB biogenic Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622030 KKNWQZFXGDRYQT-XZOQPEGZSA-N 455.027 4.806 10 40 JJCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)SC1=S 256055306 BHIPPFSKHZJOJX-GFWHJHDHSA-N 480.533 4.993 10 40 JJCB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(N4CCCC4)c(C)c3)C(=O)O)n[nH]2)c1 408634929 YAWYDRXDMVKEIE-SRZZPIQSSA-N 466.563 4.615 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc2ccccc12 408692387 LJRCMNXVIUOUHQ-HZHRSRAPSA-N 470.525 4.832 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408800249 LCIWDIGKEMSIJT-LFVJCYFKSA-N 493.475 4.993 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1 408807719 HKRFMRMPFCMNBA-LPYMAVHISA-N 492.915 4.603 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC(C)C 408856372 HUZDUUDOPWZQIF-UKTHLTGXSA-N 465.358 4.621 10 40 JJCB COc1cc(Br)c(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 409160230 FCSKQZOQNRADHR-IBGZPJMESA-N 480.449 4.871 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 1738164 ZVCJWZWYNOCILC-XDHOZWIPSA-N 481.624 4.582 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)SC1=S 9805388 QDHFNPXPWWPLHY-YBEGLDIGSA-N 451.928 4.928 10 40 JJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Cl)c4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100694901 NDQPSLACEYGVTM-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1Cl 101130387 SIFAUZJHQPCUNX-PWRODBHTSA-N 492.314 4.689 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccccc1C 224377461 VVQSEVBBSMLELX-UHFFFAOYSA-N 460.574 4.944 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NNc1ccc(Cl)cc1 408530887 JTFNQDUTTQKPKA-HZHRSRAPSA-N 490.991 4.891 10 40 JJCB COc1ccc2c3c(n(CCc4csc(-c5cccnc5)n4)c(=O)c2c1OC)-c1ccccc1C3=O 604404111 CNMUZZYAJIYEEW-UHFFFAOYSA-N 495.560 4.991 10 40 JJCB biogenic CCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2620770 LTXRSCHBSWACGA-HKWRFOASSA-N 478.643 4.659 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1 4106578 YRDHWORDQMTGHU-VXLYETTFSA-N 463.877 4.983 10 40 JJCB C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1)c1ccccc1 9281167 GVRBVSBMIHAPDG-AGJKUDPNSA-N 453.527 4.889 10 40 JJCB CC1(C)CC(N/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC(C)(C)N1 95482941 GTXGSZGEUVXCAA-MNDPQUGUSA-N 459.619 4.830 10 40 JJCB Nc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1/N=N\c1ccccc1 104090921 PAQABCKKWSEBTJ-ZUELCTOOSA-N 474.510 4.668 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C 208517704 VLWFYHCTIRNRGM-HYARGMPZSA-N 475.614 4.857 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408894454 CNKLOLNALGPKLU-ULJHMMPZSA-N 456.498 4.721 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 408985074 UWZQDXHUYJODLO-PDGQHHTCSA-N 464.861 4.527 10 40 JJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409013225 MMCHVWFMXSDAOB-XWAFYUISSA-N 477.380 4.845 10 40 JJCB COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OC 409035459 STGPYFYBEAYZCQ-YHYXMXQVSA-N 491.210 4.968 10 40 JJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C 409060849 YPELFJXDDDAHLO-UCQKPKSFSA-N 471.557 4.679 10 40 JJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 408908160 BHOOLGDJIPXISD-YBFXNURJSA-N 495.304 4.834 10 40 JJCB Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 32109470 BXGQPQPNWGVOLS-GGBOFOFLSA-N 474.464 4.634 10 40 JJCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)C(=O)N=C3S2)c1 33380907 SZSILYZFYQIOMG-WPTKKBASSA-N 457.471 4.831 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 35241237 AFIAKGAZJPHBRV-FTGKUASCSA-N 481.887 4.938 10 40 JJCB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2nsnc2c1 59294346 SZFZWKVNGDTLBB-UHFFFAOYSA-N 452.948 4.703 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408807511 CXBXEXUECSXZON-YBFXNURJSA-N 483.307 4.944 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1ccccc1Cl 408870794 WVACPXMGEBOSMA-PDGQHHTCSA-N 464.880 4.745 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br 409247424 HEXYTOCAMUOOGE-LUYJPIOASA-N 473.392 4.766 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 9295817 WUTPSQBDOACIRO-GZTJUZNOSA-N 467.890 4.648 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 33859901 MWWGOIHHCCWGQC-JLPGSUDCSA-N 499.523 4.762 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1c(C)cccc1C 41082485 FDDAIOMFTFKWJJ-ATVXKWJESA-N 461.518 4.610 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)c2C)cc1C 59105212 RJEFPYOEDUCDFI-SRZZPIQSSA-N 457.486 4.946 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Br)c1OCC 59135479 KIFCCONJBUCIBU-OQLLNIDSSA-N 477.286 4.892 10 40 JJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 62825020 NZIYOTQDTWFMTF-ACRNLXFHSA-N 480.523 4.752 10 40 JJCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O 101199928 YRJJLAGRSUMRBJ-VWPQPMDRSA-N 485.323 4.759 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]23)cc1 169694786 FOHKZZTYFWSEOG-UBFVSLLYSA-N 479.532 4.814 10 40 JJCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(=O)C(C)C 225835925 MTWNMEUHSNZLNW-GOSISDBHSA-N 475.680 4.718 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccc(Br)c2ccccc12 408535493 YOQNNHAIFSIANU-SDNWHVSQSA-N 470.710 4.835 10 40 JJCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 409020612 RBPCKPCUWNVGLF-RGEXLXHISA-N 495.875 4.533 10 40 JJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 409193356 JNYISQGMZLCCQL-GDNBJRDFSA-N 487.320 4.783 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 1417332 QSNSVXLKAYLTPV-LDADJPATSA-N 493.006 4.692 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 8739239 JYDOPSFZVJNTIA-HYARGMPZSA-N 491.931 4.795 10 40 JJCB COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 9010089 BQOYJGOPYVYFIN-PVHODMMVSA-N 497.522 4.865 10 40 JJCB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c(C)n1-c1ccc2c(c1)OCO2 9285639 SGOLGDOTJLLUJS-UHFFFAOYSA-N 466.588 4.579 10 40 JJCB CC[C@@H](NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 9589558 KDKCEIAGZNZILS-OAQYLSRUSA-N 475.928 4.848 10 40 JJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 13075864 XEACFTVVJCQJMX-AAWHYMEISA-N 452.897 4.573 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1 409095073 BFGPRVIAMBZWIU-CIAFOILYSA-N 463.921 4.940 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(I)cc1 409346051 MVMYKGODHHKAIG-LICLKQGHSA-N 497.379 4.710 10 40 JJCB Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1/N=N/c1ccccc1 4809247 PAQABCKKWSEBTJ-QAVVBOBSSA-N 474.510 4.668 10 40 JJCB O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(Br)cc1 9188217 VNBNXAYIUBRIRL-PDGQHHTCSA-N 462.800 4.895 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Cn3cnnc3)cc2)cc1 20288892 NSGXGZJOOYJVOV-BWAHOGKJSA-N 482.519 4.611 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1 26608471 QMHTWXXTQDFFIL-OMYHDSEFSA-N 455.543 4.792 10 40 JJCB COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221502 NECWPYLLBNSCOS-CQSZACIVSA-N 468.408 4.550 10 40 JJCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 107876354 OWYPTOUECRSIPO-ZDLGFXPLSA-N 483.307 4.732 10 40 JJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 223687884 ZTCCCSJQXZGFNE-RPBOFIJWSA-N 462.619 4.587 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)NC1=S 409082225 RVTXLZLGDWUTKK-WQRHYEAKSA-N 475.408 4.813 10 40 JJCB O=C(O)c1cccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 409106079 LYZZPVQFZRPOCC-UHFFFAOYSA-N 493.544 4.924 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)NC1=S 409173575 MAAYMYZSESZHTG-XDHOZWIPSA-N 479.989 4.896 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)OC 409330163 JTINFLWMYQBRNJ-LICLKQGHSA-N 481.954 4.835 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C 101124933 UTIUIRXSTHKGLO-XQNSMLJCSA-N 490.585 4.831 10 40 JJCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O 101199918 YRJJLAGRSUMRBJ-URVUXULASA-N 485.323 4.759 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223056908 SATVMWDXNXCMEA-LOSJGSFVSA-N 463.651 4.564 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1Cl 223580575 SJDZQHHBXVYOFH-SFTDATJTSA-N 461.418 4.761 10 40 JJCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 408855693 GMQGHOSGJCNOIB-DHZHZOJOSA-N 499.217 4.653 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1 409160646 VIXXLYNJYOZWKO-DEDYPNTBSA-N 455.605 4.930 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 409234242 JJJZRFRCILCQHV-LDADJPATSA-N 480.929 4.526 10 40 JJCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 9012145 BAUSIIWMFSARGA-XPGKHFPBSA-N 480.564 4.853 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 14132958 MYXGZJXUMMYLHR-WOJGMQOQSA-N 451.885 4.861 10 40 JJCB C/C(Nc1cc([N+](=O)[O-])ccc1C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20288331 PZWUMFLUNJGVCI-JWGURIENSA-N 457.446 4.948 10 40 JJCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4cc(OCc5ccccc5)ccc34)CC2)cc1 20745011 XIDNVBCZOSCQHK-MHZLTWQESA-N 471.557 4.703 10 40 JJCB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1Cl 225408883 BBGHLHDSDYIKFA-UHFFFAOYSA-N 464.326 4.812 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 408786262 NMHXEKCBWPGYBQ-XDHOZWIPSA-N 470.367 4.957 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Br)c(C)n(-c4ccccc4)c3C)C2=O)cc1 408900781 UXIXAXQPAXBZRM-DEDYPNTBSA-N 478.346 4.831 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1[N+](=O)[O-] 409108621 XSEYGQAXMUWQAD-WOJGMQOQSA-N 457.533 4.545 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409144898 QLFCWZRMHKKOPP-XQNSMLJCSA-N 459.571 4.862 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(I)cc2)SC1=S 409348432 SRGLUPMNMQQIRW-GDNBJRDFSA-N 453.326 4.706 10 40 JJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1 4092715 KPDGLDYXJILDTK-HHHXNRCGSA-N 487.600 4.559 10 40 JJCB O=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O 5851463 PVFYZPXAJJHLJN-XHPQRKPJSA-N 484.515 4.735 10 40 JJCB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 8826274 TXYLZHCIZABDDC-XMMPIXPASA-N 477.653 4.835 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 9507723 PCPXJDZNXGJVRL-XMMPIXPASA-N 453.901 4.537 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 41085050 YKERQWSSPRQJOR-XSBGCYDXSA-N 495.992 4.600 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1O 223537440 GNNPICTZJMVRMY-JWQCQUIFSA-N 455.587 4.762 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409238197 MAKCNNDBOSMHJH-YDZHTSKRSA-N 488.569 4.957 10 40 JJCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S 1281924 IRIMZHCOPFPQLW-NVMNQCDNSA-N 498.409 4.955 10 40 JJCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8853430 WLQQMFYMGLVBFP-YBEGLDIGSA-N 487.693 4.522 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)cc1 13129374 HAKZGOSXQBYRGW-UHFFFAOYSA-N 477.517 4.651 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 13602795 OMCYCIJCJNEGBG-ZDLGFXPLSA-N 463.964 4.604 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 13778554 ATAIQLAAFSDANW-KJYTXNCISA-N 465.638 4.848 10 40 JJCB biogenic,in-vitro O=C1C[C@@H](c2ccc(F)c(F)c2F)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96117523 GLDACDMBZVXPOM-LBPRGKRZSA-N 454.356 4.730 10 40 JJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(N(C)C(C)=O)cc4)C3=O)n2)cc1 100525005 KDRICULOUGRSKD-WHEOYJBGSA-N 462.535 4.676 10 40 JJCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)n1 104090901 NEKGPXIAACPVOJ-MCDSGTGBSA-N 488.537 4.976 10 40 JJCB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC 408537393 DLPXLZNXIQHEOO-LTGZKZEYSA-N 466.534 4.719 10 40 JJCB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(Cl)c1 409149329 BRHMKDBMDASWTK-FQEVSTJZSA-N 466.024 4.736 10 40 JJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409188660 JIJSQDZBBJZSRI-YBEGLDIGSA-N 487.320 4.783 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)C1=O 409230204 CJVSFWUCWDRXMY-GHRIWEEISA-N 481.302 4.774 10 40 JJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=O)N=C3O)c2C)sc2c1CCCC2 1151806 OJJIAZHICCLGSO-SFQUDFHCSA-N 469.563 4.533 10 40 JJCB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 9124876 NTBUCPONNNUOJB-CYBMUJFWSA-N 482.319 4.803 10 40 JJCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(-c2ccccc2)o1 9245192 KMDBOPPOJIZHOW-JWGURIENSA-N 460.515 4.647 10 40 JJCB Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 13759191 DLOGXJDCJPGJRR-CLKZTBQTSA-N 497.580 4.905 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)OC)cc4)N=C3C)o2)cc1 15276568 ZHOZCFXLEDFKEB-PXLXIMEGSA-N 458.470 4.716 10 40 JJCB O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)cc1Cl 16385938 UUJIHSLMJUTLMM-DHDCSXOGSA-N 480.816 4.534 10 40 JJCB CCN(CC)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCC(=O)O)cc1 56897444 CNKTUFPFFARXQI-OAQYLSRUSA-N 472.383 4.838 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408799972 MFKOAJXRLOWVPH-OQLLNIDSSA-N 493.741 4.566 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408806670 GINWKAKFWXGSGD-NTEUORMPSA-N 463.317 4.766 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 409349585 VLENLXQUPMAGIH-YBFXNURJSA-N 481.507 4.757 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1C[C@H]1CCCO1 2660333 QORWJBSBPSOAOX-JOCHJYFZSA-N 452.526 4.870 10 40 JJCB CCOC(=O)NC(=S)Nc1ccc(/N=N/c2ccccc2)c(NC(=S)NC(=O)OCC)c1 4047783 APJMMIUTBCZEOH-OCEACIFDSA-N 474.568 4.988 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)cc1 96316585 ZNXPYUDGSSNCDX-VABKMULXSA-N 485.923 4.652 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 106717826 JPGMZCPZKVSTMX-ODLFYWEKSA-N 494.356 4.975 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Br)cc1 106753817 IEXPGCVUQRLRHX-ZDLGFXPLSA-N 477.380 4.845 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C(C)(C)C)cc4)C3=O)c2C)cc1 408743398 SQWYOGLZOVCMQA-JLPGSUDCSA-N 499.567 4.845 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Br 408819938 ZLLAEWCVSHHXHO-LFIBNONCSA-N 457.324 4.521 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OC 409057726 LXJMCAKYXZOJGX-PTNGSMBKSA-N 462.727 4.988 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409237270 HQLCUBUOWOZUSJ-BUVRLJJBSA-N 486.572 4.758 10 40 JJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1246258 INYVQNWPLNOJQV-IMGOXIFKSA-N 476.627 4.647 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(F)c1 8819992 WZPQVYZLZQPOJJ-NDENLUEZSA-N 472.563 4.955 10 40 JJCB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NNC(=S)Nc1ccc(F)cc1 16218947 SRFIKCKBHVBYJO-UHFFFAOYSA-N 495.945 4.502 10 40 JJCB O=C(COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 34856918 XUIJXJRSLPQVAO-JLPGSUDCSA-N 497.938 4.972 10 40 JJCB COc1ccc(C)cc1-n1cccc1/C=C1/C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O 41108314 RVPFWCLVCTYFCZ-YXHWSSDLSA-N 485.569 4.801 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccccc1Cl 108036727 DWAYMBWTKZUHNZ-WQRHYEAKSA-N 484.295 4.942 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 224908433 ZOPRKMRRKJTDJD-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 408534501 VUISNRHWWNMXBO-LGMDPLHJSA-N 490.361 4.511 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2cccc(F)c2)c1 408891074 KXCZLPFJNYVQOL-XDHOZWIPSA-N 480.879 4.733 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c1C 408960440 LTQLSIPENSHNFT-IWIPYMOSSA-N 486.572 4.505 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 408963986 BASMEVDKYCPLNY-HYARGMPZSA-N 470.916 4.962 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 409220905 HNWKZENNDBBNEH-XSFVSMFZSA-N 474.538 4.571 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OCc1ccccc1 409252913 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Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 13786758 DUDSRFDZDBEZPK-CLKZTBQTSA-N 497.580 4.905 10 40 JJCB O=S(=O)(c1ccc2nsc(/N=N/c3ccc(O)c(Cl)c3Cl)c2c1)N1CCOCC1 16431371 KOLVROVCHKHBKL-QZQOTICOSA-N 473.363 4.745 10 40 JJCB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)c1 33904448 CUSRKZZVPHKMRG-RCCKNPSSSA-N 465.600 4.786 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 59135751 BJECWUBJVWYWKG-WJDWOHSUSA-N 451.435 4.974 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1F 408855216 DIZOHTZYGWMQJT-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1 408966537 NCPZEWURKKZFJU-HZHRSRAPSA-N 450.498 4.617 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 409241918 PHRQRGZDSXFGEY-FYJGNVAPSA-N 490.947 4.681 10 40 JJCB NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Oc4ccc(Cl)cc4)cc3Cl)S2)CC1 585152394 YPMYMUQCJATWCW-YBFXNURJSA-N 476.385 4.953 10 40 JJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)cc1 1181106 YUDWFHWYDWMIHZ-SFQUDFHCSA-N 461.406 4.988 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(Br)c1 1267201 PLMHSPJZBSFDQY-PTNGSMBKSA-N 451.367 4.662 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 8453075 YAHMXNZRBXBMAO-PLPOMQQBSA-N 494.573 4.581 10 40 JJCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 8763852 QTHXCOWOXQKRQX-BKUYFWCQSA-N 471.600 4.737 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 101129072 RFJBNWFBLALGGQ-CJLVFECKSA-N 490.585 4.831 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408805761 HLUWCXCZUXQFQG-OQLLNIDSSA-N 463.715 4.556 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409009144 BRMJZYXMQXGLLB-GZTJUZNOSA-N 455.239 4.515 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c(C)n1-c1ccc2c(c1)OCO2 2635899 GQSIRRVTCDROEE-UHFFFAOYSA-N 461.301 4.752 10 40 JJCB Cc1cc(C)n2c(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nnc2n1 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COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 20289032 CFKFERSOIUEXLG-KQWNVCNZSA-N 486.484 4.527 10 40 JJCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cccc([N+](=O)[O-])c1 100525421 AUYJNLARXIKFAM-SIUCFOQUSA-N 451.424 4.502 10 40 JJCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409066357 MTALCSUCSFVDHC-YBEGLDIGSA-N 452.317 4.755 10 40 JJCB CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)sc2c1CCCC2 8820228 ONGOUACPCXGENT-GDNBJRDFSA-N 492.669 4.705 10 40 JJCB CCc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 10113109 RWNPEQXWNJKAMR-UHFFFAOYSA-N 491.657 4.751 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)o1 16347951 SZPZFHFDGLAVDB-MHWRWJLKSA-N 458.257 4.931 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1 33414477 UJQRVHHLPICCBP-LDADJPATSA-N 450.834 4.893 10 40 JJCB Cc1cc(C(=O)[C@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 3435032 DTXWNVQMLYWURX-KRWDZBQOSA-N 477.948 4.731 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 9158919 ZPDISLSLTRZSFZ-ZJOUEHCJSA-N 487.493 4.640 10 40 JJCB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OCc2ccccc2)cc1)CO3 9411107 YVSQWDZHCNHSHM-UHFFFAOYSA-N 471.509 4.752 10 40 JJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 12445285 HECFYDYZBKXMSY-ZUVVCWCJSA-N 454.954 4.599 10 40 JJCB O=C(C1=CN(c2ccc(OCc3ccccc3)cc2)c2ccccc2S1(=O)=O)N1CCCC1 21359407 VKXLGVITYSJHME-UHFFFAOYSA-N 460.555 4.655 10 40 JJCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 33458191 YTVKFHBEVDLHAC-FIMHLPJISA-N 463.500 4.778 10 40 JJCB Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 108928993 OMRDHBCYYBAONP-BUVRLJJBSA-N 466.493 4.982 10 40 JJCB Nc1ccc(OCCCCCC(=O)OCCOC(=O)CCCCCOc2ccc(N)cc2)cc1 201757507 NZOUHRJYJLLQCB-UHFFFAOYSA-N 472.582 4.516 10 40 JJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 408781300 BXQMOQOJESFWDE-LICLKQGHSA-N 487.350 4.530 10 40 JJCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O 408828847 MJWBWAZESGTETO-RCCKNPSSSA-N 476.916 4.984 10 40 JJCB Cc1cc([C@@H]2NC[C@@H](C(=O)O)S2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408975669 BYTJHKJWPPLVHA-LEWJYISDSA-N 455.561 4.942 10 40 JJCB Cc1cc([C@H]2NC[C@@H](C(=O)O)S2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408975672 BYTJHKJWPPLVHA-SFTDATJTSA-N 455.561 4.942 10 40 JJCB O=C1C(=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408996796 JZBWBMHHCPHGCD-UHFFFAOYSA-N 463.902 4.997 10 40 JJCB CCN1/C(=C\C2=CC(c3ccccc3)=NC3=S=C(C(=O)C(F)(F)F)C(=O)N23)Sc2ccccc21 409415781 BNVKLULYADDIAJ-CPNJWEJPSA-N 499.539 4.813 10 40 JJCB Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCC(C)C 2364518 RUQAEQYWZPFXIU-UHFFFAOYSA-N 486.572 4.706 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NC2CC(C)(C)NC(C)(C)C2)cc1 20288675 ZCSPWXDVKAQKQU-QJOMJCCJSA-N 491.592 4.527 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 32109398 MSMNIUMNGVOCTD-LECIVKJOSA-N 452.511 4.833 10 40 JJCB CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408812915 XNPVOVCGJZHFCR-MHWRWJLKSA-N 463.715 4.556 10 40 JJCB Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409143333 LUBWJRTUJIOMSM-HAHDFKILSA-N 479.627 4.925 10 40 JJCB O=C(O)CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 1889484 RLFYTKHCVIGYPF-YVLHZVERSA-N 478.935 4.503 10 40 JJCB Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cccc1[N+](=O)[O-] 3283151 DCVDXIAMPGNQLW-UHFFFAOYSA-N 458.417 4.952 10 40 JJCB Cc1sc2nc(/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 9791867 LLPFZUXTGCMTSF-LTGZKZEYSA-N 462.619 4.755 10 40 JJCB CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCN(CC)CC3)c(O)ccc2c1=O 19793185 ANLGBZMFXQKYCE-UHFFFAOYSA-N 492.494 4.846 10 40 JJCB biogenic COc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 33854320 BYCLWRNBDMWOFA-NTUHNPAUSA-N 498.102 4.866 10 40 JJCB CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 35830093 IDBSBQDPYUOEJN-DSNGMDLFSA-N 464.477 4.617 10 40 JJCB Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 80357438 IAEDBDFSQGSMBZ-WGQIQHNGSA-N 482.675 4.629 10 40 JJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Nc2ccccc2)cc1 109848038 JBMZVGKPOWJZJX-AQTBWJFISA-N 466.925 4.966 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1Cl 223580451 SJDZQHHBXVYOFH-RTWAWAEBSA-N 461.418 4.761 10 40 JJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223609292 COYOUHCEOMLWLZ-LASGFXPTSA-N 489.572 4.891 10 40 JJCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409246999 FQMPCPIJUFZEFR-OQLLNIDSSA-N 479.783 4.641 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O 409329040 CCMFHNMFTZMDFL-FRKPEAEDSA-N 480.361 4.688 10 40 JJCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)n3CCOC)c2C)cc1 9464786 MECIGMDNWGJGEW-UHFFFAOYSA-N 491.617 4.768 10 40 JJCB Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 12223356 SYJYBGKCTMSMKU-ATVHPVEESA-N 461.406 4.988 10 40 JJCB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)cc1 17195534 QYUQTFAPLDFUSX-HKWRFOASSA-N 468.351 4.700 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC2CC(C)(C)NC(C)(C)C2)cc1 20288670 KVLHERPZYLMRSB-QJOMJCCJSA-N 464.585 4.758 10 40 JJCB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2c(O)ccc3ccccc23)n2c1nc1ccccc12 20675459 JAHDVNKASWTDBU-ZEQRLZLVSA-N 457.530 4.811 10 40 JJCB Cc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 33442537 RXKZVLWMCCRWPS-HMMYKYKNSA-N 457.573 4.519 10 40 JJCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(OC)c1 59198143 HUHRPEQHBGUTOA-LDADJPATSA-N 472.339 4.811 10 40 JJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(C)c([N+](=O)[O-])c4)C3=O)n2)cc1 100510764 CNJVFANDBKEOKX-FYTMPNSFSA-N 450.480 4.910 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274673 XOKSXTPFCNZVAP-BJKOFHAPSA-N 484.069 4.685 10 40 JJCB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(Cl)cc1 408557002 FRKCPXVTSXQTAR-UHFFFAOYSA-N 474.922 4.521 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 408868498 PBZYQYIWXQPQKX-CJLVFECKSA-N 460.917 4.996 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1Cl 408983723 HHXMQKIRPXGKRJ-XKZIYDEJSA-N 476.964 4.788 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)cc1 409334899 WWRMNVNZFHPZEU-HYARGMPZSA-N 494.569 4.960 10 40 JJCB CCN1/C(=C/C2=CC(c3ccccc3)=NC3=S=C(C(=O)C(F)(F)F)C(=O)N23)Sc2ccccc21 409415782 BNVKLULYADDIAJ-UYRXBGFRSA-N 499.539 4.813 10 40 JJCB COc1cccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(Cl)cc2)c1 1269919 SAOADLFOCMEXCH-UHFFFAOYSA-N 467.934 4.983 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(F)cc3)C2=O)cc1Cl 2238196 BNQPSSLFEIVNEV-WOJGMQOQSA-N 453.857 4.844 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 2423791 ATAIQLAAFSDANW-MYKRZTLLSA-N 465.638 4.848 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 5949147 BUDXFJJZUJUYOU-OEAKJJBVSA-N 491.569 4.873 10 40 JJCB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 8575650 RRIYWKSCJXUFHN-XQNSMLJCSA-N 490.585 4.831 10 40 JJCB COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4CC4(C(=O)CC(C)(C)CC4=O)[C@@H]3C2)cc1 8773748 USJZCCKPRHXKLZ-QFIPXVFZSA-N 486.534 4.910 10 40 JJCB COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9111240 HKUBMCTXJHKQJC-TWJOJJKGSA-N 467.496 4.857 10 40 JJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 9291464 ZKXMUMCYMNDQBD-JNADWCBDSA-N 468.564 4.641 10 40 JJCB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c1 9310450 FLNFFSZLJHOYJV-FYJGNVAPSA-N 493.562 4.921 10 40 JJCB COc1cc(/C=C2/SC(=S)N(CNc3ccccc3Cl)C2=O)cc(OC)c1OC 15133756 XVBPLWWWUYQBCV-LICLKQGHSA-N 450.969 4.637 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 22665183 RHCXPBXAAPOGBT-HHHXNRCGSA-N 477.052 4.628 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223518775 SJPIRODTQFUMOI-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622338 NUWAXTWSKKSKSG-DHIUTWEWSA-N 471.026 4.506 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408692017 BJYSGKPZGRONIC-YBFXNURJSA-N 459.329 4.977 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 408739986 CGIPMESXDUTWMS-FYJGNVAPSA-N 476.529 4.553 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OCc1ccccc1 409143321 MXLPHGMKRYODDS-KGENOOAVSA-N 472.566 4.722 10 40 JJCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1Br 9232537 OJWAOIZKACGDNI-LICLKQGHSA-N 478.389 4.715 10 40 JJCB COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 103921293 MESMNHWWHFIIQW-KQWNVCNZSA-N 487.487 4.536 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 107712239 VGEXUCVFDXINOU-OEAKJJBVSA-N 497.463 4.582 10 40 JJCB COc1cc(COc2ccc(/C=C3/SC(NC(C)=O)=NC3=O)cc2)ccc1OCc1ccccc1 107778554 WAMMRPPIZHPJCS-MFKUBSTISA-N 488.565 4.960 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cc2cccc(F)c2)c1 408882328 NKHZHFZSIHDYEJ-HYARGMPZSA-N 464.880 4.745 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCc1ccccc1 409233767 WYPZXBPTAHOKOK-CPNJWEJPSA-N 476.916 4.902 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 9259343 UNOKPVCLPLWPKJ-GZTJUZNOSA-N 487.364 4.995 10 40 JJCB COCCn1c(SCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)nnc1-c1ccncc1 9464788 PBRAWMUXFBLZLP-UHFFFAOYSA-N 475.618 4.986 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 10060000 SKNGTYBHKPWKBP-ODLFYWEKSA-N 452.869 4.528 10 40 JJCB Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 27015540 DYFZLGQPZZIWPH-ULHAQJIASA-N 465.596 4.994 10 40 JJCB O=C1/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 27519501 YRAYZWGBGGOQNG-ZSOIEALJSA-N 466.294 4.671 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1C#N 33661709 SLADQZHAVUEREX-XYGWBWBKSA-N 479.536 4.726 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 41084715 QSISENRVNUMGLS-ICALIKLASA-N 489.601 4.645 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101024903 PWQXOIODGMEKMN-SGNDLWITSA-N 461.949 4.766 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)cc1 101117275 ZNXPYUDGSSNCDX-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCC1 102655249 RHOKYTRDWDMALC-PWRODBHTSA-N 498.362 4.817 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1 408800783 QXWPEDNQYYBWCI-FYJGNVAPSA-N 462.889 4.594 10 40 JJCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Cl 408972446 UAMDHHHARZLAPB-SDQBBNPISA-N 459.207 4.805 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(F)c1 409245117 NQOODXXVFLVXNO-WOJGMQOQSA-N 453.926 4.718 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c1C 409393833 SOZFBXMWEYCQMJ-CFRMEGHHSA-N 471.582 4.576 10 40 JJCB COc1cccc2cc(-c3cc(=O)oc4c(CN5C[C@@H](C)C[C@@H](C)C5)c(O)ccc34)c(=O)oc12 9109397 HGWNUHQWPVTUAV-IYBDPMFKSA-N 461.514 4.759 10 40 JJCB biogenic COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)sc(C)c1C 12643040 AEFDQIPDJODTMO-UHFFFAOYSA-N 470.532 4.587 10 40 JJCB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 41076762 HHXGVXLVTGKIII-VFHVDCSJSA-N 459.531 4.672 10 40 JJCB Cn1c(=O)c(C(=O)C[C@@H](NCc2ccncc2)c2c(O)ccc3ccccc23)c(O)c2ccccc21 104827514 XWYVPRCJNWEOPS-JOCHJYFZSA-N 479.536 4.602 10 40 JJCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)N1CCCC1 408572789 IIDVNMPPUITVDP-UYRXBGFRSA-N 458.992 4.747 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 408759271 AZFMOKNQNWDNQF-HZHRSRAPSA-N 459.571 4.633 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409251776 WCLPBDZVXNEWBM-RCCKNPSSSA-N 457.530 4.776 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821867 LGYRHAJTRLTTTP-PXLXIMEGSA-N 478.505 4.786 10 40 JJCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 13514148 WWFWRYIWNBKNLP-SILNSSARSA-N 478.643 4.722 10 40 JJCB Nc1nc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc(Nc2ccccc2)n1 21728817 FZSXOXMUXSNCRO-IBGZPJMESA-N 459.579 4.532 10 40 JJCB CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 101481952 MNVNKWBDLWRIBB-WXFUMESZSA-N 483.495 4.644 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1 223483690 TVPMMVZVKCLJGQ-HYARGMPZSA-N 459.546 4.772 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223693925 BPQDCSBGFNZNJH-ZEQRLZLVSA-N 483.037 4.987 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 408806077 APEPTNAMTTUNGO-FYJGNVAPSA-N 491.887 4.802 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S 409096008 JBLDFZXYRWFQLQ-VCHYOVAHSA-N 493.972 4.616 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)NC1=S 409237100 IYPOQMLCYNYSGF-HYARGMPZSA-N 496.548 4.738 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c([N+](=O)[O-])c1 409342735 CIZDSIQPQPCHOT-KEBDBYFISA-N 482.495 4.998 10 40 JJCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)C(=O)C2=O 16739500 URUNJFKMGKZHIQ-UXHICEINSA-N 495.167 4.630 10 40 JJCB Cc1cc(OCCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)ccc1Cl 33457873 LAAWLNLBDDTZRT-FZAWDKCWSA-N 454.939 4.745 10 40 JJCB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956509 HYXMTTFSCKEUEQ-INIZCTEOSA-N 478.588 4.961 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225956960 UEZMAESSZYIEHL-UHFFFAOYSA-N 465.026 4.737 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OC(C)=O 409034887 IHEYYWGLQWHFQZ-GHXNOFRVSA-N 454.351 4.512 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S 409236613 TZMFXUBBVYOHKX-LFIBNONCSA-N 467.890 4.648 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1I 409348436 SRRIUIWMCJGRTR-OQLLNIDSSA-N 498.323 4.614 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)C(=O)NC2=S)cc1 409377475 IPDZTBOZPRLTLF-PXLXIMEGSA-N 460.530 4.798 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(Br)cc1O 9233871 JNSKDPYANQXLDU-RQZCQDPDSA-N 450.379 4.955 10 40 JJCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 22635727 ADLWOZVSIPBXAO-HNNXBMFYSA-N 487.217 4.786 10 40 JJCB COC(=O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1 85878647 QCLXCJQFMPKCQT-UHFFFAOYSA-N 473.485 4.994 10 40 JJCB biogenic Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1 223504425 DCKYGJZSBWINEN-DQEYMECFSA-N 454.603 4.760 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)c1 408763446 FETNCMIKYDCZHC-WSDLNYQXSA-N 463.921 4.813 10 40 JJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1 408816006 QPLPJHBYZSGOOZ-UDWIEESQSA-N 462.889 4.599 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 408883801 WTMFCIGTAQYITR-KGENOOAVSA-N 462.889 4.594 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1O 408938433 QMUOQIMETRVJIB-DEDYPNTBSA-N 492.915 4.690 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 409340600 ZZKGULBDSDFTLH-BOPFTXTBSA-N 478.389 4.797 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)cc1 5948350 ALQZGWFTNXDXAC-PXLXIMEGSA-N 463.534 4.906 10 40 JJCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OC)c1 20288025 OGQYWFFNOGCMCU-KQWNVCNZSA-N 458.474 4.749 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(F)cc1 223225660 HAVQULGXEOSXRX-ZEQRLZLVSA-N 451.615 4.552 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1 409209584 GPOOAMCOGBPYTQ-RQZCQDPDSA-N 494.798 4.844 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1I 409351672 VKNZKWWEQJCKKH-YBEGLDIGSA-N 483.352 4.714 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)c1 8819203 FBPZVLCDIPATGI-MTJSOVHGSA-N 470.660 4.762 10 40 JJCB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 9443541 XUHNBLPSPLPOQY-HNNXBMFYSA-N 486.480 4.679 10 40 JJCB COC(=O)c1sccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 11648534 PDIMGJBBHOXPTN-UHFFFAOYSA-N 453.545 4.770 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1OC(C)C 34745025 RFPAVNVWPJKJAO-MHWRWJLKSA-N 459.296 4.752 10 40 JJCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1[N+](=O)[O-] 100525413 DDJMNYPZUQSUAK-BFQBXFRASA-N 451.424 4.502 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 408851187 JJHODXDNFNMUBP-UVTDQMKNSA-N 487.320 4.783 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 408880014 IFKARYNNOIKOKA-KOEQRZSOSA-N 454.526 4.959 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cccc(F)c1 408881180 MCYCHTAJKJMRGJ-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 408968474 ZHEBERQHHLRQDO-XQNSMLJCSA-N 464.525 4.871 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c(C)c1 409241181 JGOHZJNMDGVTDL-BKUYFWCQSA-N 460.559 4.781 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 409342634 DYNPTADFIMHSTN-RGVLZGJSSA-N 465.508 4.868 10 40 JJCB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)cc12 878723 QRAZIHDBYZWTTQ-UHFFFAOYSA-N 475.570 4.544 10 40 JJCB COc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)N=C2O)c1 2397336 MEMULSMUBONBHH-HYARGMPZSA-N 487.943 4.782 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(F)cc1 13787921 GOSURHXZEBZUIP-SVFBPWRDSA-N 473.287 4.889 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 408868990 QEBWNMNPSMNDOR-JCMHNJIXSA-N 472.566 4.804 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)c(C)c1 409238711 FKMILXWTGKGPMD-HYARGMPZSA-N 488.565 4.996 10 40 JJCB COc1ccc2c3c(n(CCc4c[nH]c5ccccc45)c(=O)c2c1OC)-c1ccccc1C3=O 604404293 BNDAYXZERMHMNG-UHFFFAOYSA-N 450.494 4.954 10 40 JJCB biogenic C[C@H](COc1ccccc1)Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 640708 PULTZXQZKMEWIO-KXWHUPIZSA-N 451.526 4.818 10 40 JJCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)ccc21 1416330 KDDYCXNDTDNSSP-LZYBPNLTSA-N 494.823 4.699 10 40 JJCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1cccc(C(F)(F)F)c1 8843208 RDEGHTVWLAVWOJ-WOJGMQOQSA-N 495.504 4.856 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 9235783 XAABOZLWOOKAFH-FYJGNVAPSA-N 470.616 4.941 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12376694 FMUPWRJIGYWCQA-CJLVFECKSA-N 460.515 4.647 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 20287649 NWJYVQFLVKKCAQ-MOSHPQCFSA-N 454.939 4.910 10 40 JJCB COc1ccc(OCCCOc2c(Cl)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 41082645 JNZOUOPVODNLBU-NMESBGBPSA-N 497.935 4.655 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408816568 UXZRHWUOIKCSRV-QGOAFFKASA-N 450.853 4.725 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S)c1ccccc1 409175948 FNSQRAALTLNEKD-WQRHYEAKSA-N 484.942 4.844 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 409209343 GDFYDRVBWBFPPG-RGVLZGJSSA-N 487.990 4.636 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1 409330334 LEMCBCHNPXTYLC-NDENLUEZSA-N 494.550 4.508 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 9089904 ATAIQLAAFSDANW-KZQOYIJHSA-N 465.638 4.848 10 40 JJCB biogenic,in-vitro CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)CC1 9188899 NOXCTGQXCSCJFP-JWGURIENSA-N 450.560 4.511 10 40 JJCB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214118 YLDUVZYDZXLNIL-LJQANCHMSA-N 490.785 4.690 10 40 JJCB COc1ccc2nc(N/C=C3/C(=O)N(c4ccc(I)cc4)N=C3C)sc2c1 101122344 FMMHKQVHJNGDMS-XNTDXEJSSA-N 490.326 4.628 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 409408558 RFTYUTILUOCVNU-NDENLUEZSA-N 493.357 4.807 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 20205530 KACXODDSBZNIOR-HRIUQOHOSA-N 497.558 4.512 10 40 JJCB Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1 26786907 XRXLPIGPSPSVCQ-UHFFFAOYSA-N 486.398 4.949 10 40 JJCB O=S(=O)(O)c1cc(/N=N\c2c(O)ccc3ccccc23)c2c(S(=O)(=O)O)cccc2c1 104045372 FGGCKWDBLWGZNA-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc(Cl)c1 409026808 YUTVQNXTJHUHFI-MFOYZWKCSA-N 495.782 4.797 10 40 JJCB CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)CC1 409140426 FDSKYAXKJXRTAH-XKZIYDEJSA-N 479.627 4.894 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 409232579 RKHZNKZDRJWNAB-DEDYPNTBSA-N 492.988 4.537 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)cc1 409334311 WTOUKIQEXBRNBD-UDWIEESQSA-N 451.573 4.777 10 40 JJCB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc2c2c1CCCC2 524731033 HVGLMGJCHJOAAV-LPDFMRIUSA-N 460.618 4.772 10 40 JJCB biogenic COc1ccc(N2CCN(c3ccc(-c4nc(-c5cccc(C)c5)no4)cc3[N+](=O)[O-])CC2)cc1 8587145 JHXSEPLWKXNYHH-UHFFFAOYSA-N 471.517 4.955 10 40 JJCB Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C\c4ccco4)SC3=S)s2)c1 8820276 AYSPDHLDRKMPQY-LDADJPATSA-N 469.613 4.865 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 9309038 MTFIUQRMLGDFCN-SDHOMARFSA-N 455.460 4.987 10 40 JJCB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 10113107 VXHDUYQMFPXMPZ-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223537131 FBQHDEZLPGHQJV-YIRPMMGJSA-N 463.603 4.639 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC)c(OCC)c3)C2=O)cc1 408893607 BGVQGHKRWSWEHJ-UYRXBGFRSA-N 486.952 4.983 10 40 JJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 408917153 NXHSOGOJKKDQMQ-KGENOOAVSA-N 455.580 4.540 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)c1 409239583 HLLSIKQNPZJMOY-FYJGNVAPSA-N 487.581 4.549 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 409248847 RQHNKMOYOZBGCT-PXLXIMEGSA-N 460.580 4.986 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1 8985068 MBRDIMDIKZEEFJ-ATVHPVEESA-N 480.405 4.747 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1 9453366 JVESXRGYASTOHC-JCMHNJIXSA-N 471.944 4.878 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 35040062 RKXXTGKGWUPYAV-MOSHPQCFSA-N 479.539 4.638 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1cccc(F)c1 408867687 LIVCKRUANHACKU-HZHRSRAPSA-N 458.489 4.790 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S 409167084 JFURMJXNXDTZIL-XDHOZWIPSA-N 465.962 4.587 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC 409335680 YLAWSVHFWXPSBB-WQRHYEAKSA-N 463.964 4.696 10 40 JJCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2381912 IVNZKITXBSOBQB-XLXASQRYSA-N 466.496 4.882 10 40 JJCB CN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 9030138 HCPIQLWERUIHKE-AQTBWJFISA-N 475.433 4.699 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N=C1S 9313327 VQTKYSQZNJSBED-CCNLRRDASA-N 453.995 4.739 10 40 JJCB O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)NC(=O)c1ccco1 10535006 OZGOURHEQPJBEP-UHFFFAOYSA-N 451.935 4.894 10 40 JJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 13025233 VIDVDDHECBTPMG-SANMLTNESA-N 489.572 4.564 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccccc1 16406717 RSCYFZHQYUBNEC-YBEGLDIGSA-N 450.379 4.916 10 40 JJCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 16790613 DLPQTEOYXMKHCA-XSFVSMFZSA-N 457.573 4.924 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)cc(OC)c1OC 41076318 WIHSPZSNIOHXHR-PRJJYZKASA-N 480.590 4.548 10 40 JJCB O=C(/C=C/c1ccc(Br)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8973667 UEOHOUABAILIEY-KPKJPENVSA-N 491.366 4.751 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCCOCCOc3ccc(C)c(C)c3)cc2)SC1=S 9679283 QPNFCJQJBVUHGG-JWGURIENSA-N 457.617 4.999 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(OCC)c3)C(=O)N=C2S1 12631183 PACRMFNMVIAEMZ-HCQBZFMKSA-N 468.560 4.785 10 40 JJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 13601848 RMCLJUTVQVYDEE-MFKUBSTISA-N 464.525 4.818 10 40 JJCB COC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(c2ccc(OC)cc2OC)C4)cc1 13685371 RWXWDEHDTLEJSR-UHFFFAOYSA-N 489.480 4.746 10 40 JJCB biogenic COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC 13777361 MGEZRTYKBHBTNE-YBEGLDIGSA-N 466.378 4.881 10 40 JJCB O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1nc2ccccc2s1 15906107 GOUNHGAMJQJAHA-DHDCSXOGSA-N 477.539 4.738 10 40 JJCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(Br)ccc3O)C2=O)c1 102757269 IRMJANOKFATPBX-FDFHNCONSA-N 479.330 4.514 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 108271536 GDGQOUQLSMCMSI-HYARGMPZSA-N 490.556 4.807 10 40 JJCB COc1ccc(N2CCN(C(=O)C(=O)c3c(-c4ccc(Cl)cc4)cc4ccccn34)CC2)cc1 408636503 RGGQJWJNPFYLME-UHFFFAOYSA-N 473.960 4.800 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408691966 ABYOVELTJXWCMI-VCHYOVAHSA-N 489.355 4.985 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408815669 XTAWQGMMJMMWQP-FYJGNVAPSA-N 492.915 4.690 10 40 JJCB CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 408936061 JVCWKGOSULOKSC-JCMHNJIXSA-N 476.916 4.984 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)C(C(=O)OC)=C2C)cc1 409021340 CCROBEVSYGAIEY-AQTBWJFISA-N 459.420 4.759 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1-c1cccc(F)c1 9415492 MRCXFRDGOYXFJF-AREMUKBSSA-N 459.477 4.629 10 40 JJCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1 9434895 NULRKEWOYHEYQE-DHPBROCDSA-N 478.574 4.818 10 40 JJCB CC(/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O)=C\c1ccccc1 12017082 QKKNIVQCIBWDPQ-JGEPBQDUSA-N 452.557 4.561 10 40 JJCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 13939885 OOXVBQYGTNUZTB-RGEXLXHISA-N 476.495 4.822 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)SC1=S 41108579 YKGDTYSVHAUTQS-WJDWOHSUSA-N 478.389 4.898 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c1 214378272 PZAUVGGWWACUJG-VXLYETTFSA-N 467.430 4.719 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 408571354 BFWIGTAIVQZCEX-MTJSOVHGSA-N 470.616 4.939 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc12 408758850 SKOAHAQOIGMMSF-CPNJWEJPSA-N 479.330 4.976 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 408773003 OKCXBRBFFULLAK-DEDYPNTBSA-N 478.346 4.831 10 40 JJCB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)c1 408851117 INLIXPPBMAWRTK-XDHOZWIPSA-N 478.888 4.670 10 40 JJCB CCN(CC)c1ccc(/C=C/[N+](=O)[O-])c(OCc2ccc(I)cc2)c1 409063884 NTUGEHYMLMVNBG-VAWYXSNFSA-N 452.292 4.964 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409246769 DHUHSMPHKKXBPW-ZHZULCJRSA-N 463.921 4.813 10 40 JJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Br 409344111 GQPNAUIEMIAWNG-YVLHZVERSA-N 494.798 4.844 10 40 JJCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 2394262 WHMMIYUIVFHMCS-UDWIEESQSA-N 463.465 4.757 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCc1ccccc1 9323172 NOBIAALYTQZAGR-MOSHPQCFSA-N 462.889 4.594 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1 408764326 MEWXEQPLWFXXFJ-LPYMAVHISA-N 479.989 4.978 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c12 409139464 NTIVOBGQJXNCMX-SMEDBKPVSA-N 455.649 4.826 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c1C 409231560 JVQTWXWWJAXVCE-OEAKJJBVSA-N 457.530 4.590 10 40 JJCB COCCN(Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O)C[C@@H]1CCCN2CCCC[C@H]12 524731929 PMMPCFUQDDXMBO-NBGIEHNGSA-N 464.606 4.673 10 40 JJCB biogenic Cc1cc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCO2 3428059 SCLBYQHAPQTREP-MDZDMXLPSA-N 460.511 4.872 10 40 JJCB CCc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 4178679 CRJUXXBANOISED-VJBWXMMDSA-N 485.923 4.598 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)c(OC)cc3OC)C(=O)N=C2S1 41083350 UFSRPIIGTUTRTI-LNTAJHMKSA-N 457.943 4.567 10 40 JJCB CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2cccc(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1 101481164 CRJUXXBANOISED-DNVJHFABSA-N 485.923 4.598 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222944692 QDSMATHVHAGLCO-DNQXCXABSA-N 462.619 4.904 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 223651300 YHOUGVCTEUCEOD-DQEYMECFSA-N 462.619 4.587 10 40 JJCB Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1 408883113 SUYODJBOSUZTKT-CIAFOILYSA-N 476.916 4.908 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408912307 QHRJIQYQZQYLGG-DJKKODMXSA-N 498.869 4.872 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409021576 NZBQZKQVGQYCJA-GIJQJNRQSA-N 471.916 4.857 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 409156068 KGMQHIQYUQYERM-HYARGMPZSA-N 461.543 4.778 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)NC1=S 409234244 JKKSDBGALOORPJ-PTNGSMBKSA-N 467.890 4.648 10 40 JJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(OCC)c2O)N3)C1 8920773 DNZZBQHWLGKIRP-KRWDZBQOSA-N 496.383 4.558 10 40 JJCB CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 12631948 JAVICQMFISFQKA-UHFFFAOYSA-N 497.020 4.508 10 40 JJCB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 54360712 RCRXSWZNEGHFHT-GQFJFNLSSA-N 470.019 4.770 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223480728 ABAPAIVXNLLEDR-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 408739228 ABYYPLCRMQWPMB-LDADJPATSA-N 481.848 4.573 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccc(C)cc2)C1=O 408881561 MZOCEKCSMSVMRB-HAHDFKILSA-N 470.525 4.811 10 40 JJCB O=C1/C(=C\c2cc(Cl)cc(I)c2O)C(C(F)(F)F)=NN1c1ccccc1 408969426 NJUJZMRTNUMIIR-GHXNOFRVSA-N 492.622 4.999 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)cc1Cl 409249440 JDFBEISGMSIBEA-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1 409345152 JZXZOPBXMKBZAF-KGENOOAVSA-N 463.584 4.649 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 409390240 DSFQCQBKPVUIGA-YZSQISJMSA-N 492.535 4.735 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2371167 XKZWAGUBFZEZSU-AVAGLIGESA-N 484.691 4.958 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N=C1O 2375683 CCSZIMSVLBVOPO-HMMYKYKNSA-N 487.943 4.782 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 8453146 PRHMTNVMIUOSRT-PXLXIMEGSA-N 492.959 4.966 10 40 JJCB Cc1cccc(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 9064989 CKDFYOYCXMGIKN-PPNFIQLJSA-N 474.464 4.634 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1 9424630 KXNLURYIAKMPGO-KZVRHOHFSA-N 483.553 4.727 10 40 JJCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(/N=N\c3cccc4ccccc34)c(O)ccc2c1 100134218 HOQKGCIZHZIZQS-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB in-vitro O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422723 UIBDXOQYPNGTPI-REZTVBANSA-N 493.448 4.604 10 40 JJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C 222882448 AUMPAKVTMHHFNA-DHIUTWEWSA-N 465.579 4.788 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)cc21 260911930 DIRIQURCDQDAML-FCHUYYIVSA-N 457.043 4.722 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cccc(Cl)c2)c1 408875136 DKQYENBPBPLBEF-UNOMPAQXSA-N 480.879 4.733 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409231692 FPIUGWDWRXKAEI-RBYWHNRPSA-N 452.576 4.827 10 40 JJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409235322 BEUXIUACEVBQCB-XKZIYDEJSA-N 457.436 4.634 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=O)N=C2S1 13896637 BMIOTQSLZLADBV-YJFMCDHMSA-N 478.574 4.799 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 26464703 XSZNJWOYPBCNSG-FYJGNVAPSA-N 453.564 4.525 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1F 33720473 IDTDYKCQQCMDDX-KQWNVCNZSA-N 472.516 4.993 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 113471869 LQKWVAJPBDSBGT-JWGURIENSA-N 480.615 4.526 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 225294882 LPNQSONGXDPIIE-UHFFFAOYSA-N 478.058 4.681 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccc3cccnc23)C1 257247975 JBLNEYRKLKJTLV-OAQYLSRUSA-N 459.590 4.565 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260925614 WFJGZRKHWAJPCO-DCEDVJGZSA-N 490.629 4.647 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408782924 IUPFTAFZQYUNPX-XHPQRKPJSA-N 496.563 4.619 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 408811911 OQZUXPGKLNWGMX-PXLXIMEGSA-N 456.498 4.639 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(C)cc1 408816802 USDBBARXRLMIAE-CPNJWEJPSA-N 476.916 4.902 10 40 JJCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 618255170 QHDMSMBBCYOGIV-PGMHBOJBSA-N 469.632 4.812 10 40 JJCB COc1ccc(N2CCN(C(=O)CSc3ccc(-c4nc5cc(C)c(C)cc5[nH]4)cn3)CC2)cc1 1329734 FZRIFXXAAPGQHO-UHFFFAOYSA-N 487.629 4.691 10 40 JJCB 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XHMMXILJQCJVGF-MTJSOVHGSA-N 484.578 4.562 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC 408807931 IJCACKBWNWUIQF-GZTJUZNOSA-N 487.350 4.611 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC 408844697 KXHOTUJQHBXHIM-YRNVUSSQSA-N 485.776 4.885 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1 408858353 OVGAEYVNFHNSLX-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 409126184 DUNBMTWBIBOQRQ-MTJSOVHGSA-N 466.584 4.614 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC 409232851 BVUDMCIMWJCYFJ-VGOFMYFVSA-N 465.358 4.540 10 40 JJCB COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 2445285 UCEJGDSPTAOGBQ-QNGOZBTKSA-N 465.600 4.786 10 40 JJCB CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8833876 CGPJUWOJQDCFTB-AFDUHFSSSA-N 474.648 4.968 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)SC2=S)c(Cl)c1 9235408 NUUIQAIXCFDARM-YBFXNURJSA-N 455.992 4.995 10 40 JJCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 12428996 ZQMRKDKGGFLAHB-QCFAMHMHSA-N 456.498 4.788 10 40 JJCB COc1ccc(N2CCN(c3ccc(OC)cc3)C2/C=C\c2cc([N+](=O)[O-])ccc2OC)cc1 16930698 NWFBWMBKLJANDD-TVPGTPATSA-N 461.518 4.987 10 40 JJCB O=C(Nc1ccc(NC(=O)/C(Cl)=C\Cl)c2c1C(=O)c1ccccc1C2=O)/C(Cl)=C/Cl 18141226 PRDDPENSZKQXJK-NTLHZVPKSA-N 484.122 4.977 10 40 JJCB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 32910976 DEHVQIUPCIJDGW-OEAKJJBVSA-N 482.483 4.599 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 40939921 PRNFNQISOUHMOV-SFQUDFHCSA-N 477.405 4.784 10 40 JJCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(SCCOc3ccccc3)SC2=NC1=O 41108449 ISNWRPKTNHILTF-PCHQCWAOSA-N 461.572 4.865 10 40 JJCB CC1CCN(C(=O)C2=CN(c3ccc4c(c3)CCC4)c3cc(Cl)ccc3S2(=O)=O)CC1 49003970 VPXHVLWGPWSRBK-UHFFFAOYSA-N 456.995 4.854 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1cccc3ccccc13)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 102195774 DMRDWXZVPTTZTC-SDHSZQHLSA-N 473.484 4.535 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 103920288 PKHPLJSCJQDMIH-UNOMPAQXSA-N 490.463 4.847 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1Cl 223580398 SJDZQHHBXVYOFH-NHCUHLMSSA-N 461.418 4.761 10 40 JJCB CN1C(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)N(C)C1=S 408961017 LAHIXRIGRRGTNY-UHFFFAOYSA-N 450.947 4.671 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1C 409018825 ZKXIIGIOQLRKKP-DEDYPNTBSA-N 480.387 4.688 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1 409021528 LTXITMOSHVOAAN-LPYMAVHISA-N 476.964 4.896 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409213043 SCIFNSPSLJYKRB-UDWIEESQSA-N 462.483 4.628 10 40 JJCB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccc(N(C)C)cc1 8425339 GFXWBBBFVAANRL-CAOOACKPSA-N 490.428 4.833 10 40 JJCB CC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(C)cc4C)c4ccccc34)C(=O)N=C2S1 8453473 SZIJAQIGCWOMOU-ZQCYNNBZSA-N 457.559 4.976 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1cccc(C)c1 9462961 JNEXRCNAERBGFK-UHQOKOQESA-N 483.553 4.645 10 40 JJCB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)c1ccccc1 10113168 XFODUOBXRCMIDQ-UHFFFAOYSA-N 477.630 4.573 10 40 JJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 16312690 BCNROOQMIBKSDZ-OYKKKHCWSA-N 468.488 4.649 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 107761861 XCCPYSPLJMLLIB-BUVRLJJBSA-N 452.466 4.674 10 40 JJCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 225502532 XBGJNNOXXAJROA-UHFFFAOYSA-N 489.707 4.605 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1 409059238 VQARWYUZLPAMAJ-XQNSMLJCSA-N 455.514 4.909 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(OC)c1 409221502 REFHHNGZAUQKAA-UDWIEESQSA-N 473.982 4.870 10 40 JJCB CCOC(=O)c1c2c(n(CC(=O)c3ccc(Br)cc3)c1C)C(=O)C(=O)c1ccccc1-2 2075225 JVLOOBDNNQMJCZ-UHFFFAOYSA-N 480.314 4.665 10 40 JJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 8820497 NAKAFZANMICRRX-LWZSUBOQSA-N 452.557 4.561 10 40 JJCB C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Cl)cc1Cl 12622819 JGKFZNBWSNVZAO-GFCCVEGCSA-N 468.292 4.953 10 40 JJCB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 13673031 UGPVCJKOGWSWPO-UHFFFAOYSA-N 498.048 4.842 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1O 36613188 SJBMSLUDVQWQTO-ATVHPVEESA-N 464.406 4.997 10 40 JJCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc21 208198939 JBZCASAASYWDEZ-YRIIZNAFSA-N 482.378 4.838 10 40 JJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224804 TVGVSWYXVLUCEU-FTJBHMTQSA-N 461.679 4.976 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1cccc(OC)c1 224592042 HKVCBSUDXIDEAX-UHFFFAOYSA-N 476.573 4.644 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3Cl)C(=O)NC2=S)c1 408741330 LGCZMBZWUHRWQF-AUWJEWJLSA-N 455.750 4.877 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)c1C 409138658 GEIISAOPIQJKKD-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S)c1ccccc1 409184050 WHSHDNTXTVXQBI-STZFKDTASA-N 464.543 4.951 10 40 JJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 9309334 NDNUGDGAZLRKPG-GESHDMKESA-N 453.593 4.741 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)c(C)n1-c1ccccc1 13038707 ZYLRDKSRPRAPSW-UHFFFAOYSA-N 464.587 4.751 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(OC)cc2OC)cc1 20288712 SOBMIIOTOGBDFG-UQQQWYQISA-N 473.529 4.858 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1OC 33430294 VRSIVDRLZHNCIY-QNGOZBTKSA-N 459.589 4.773 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)cc1 41084684 CZSZZMKUXNCHQK-NSDVAZHGSA-N 489.601 4.515 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 223757621 SHIQSBYEPIEQGY-UHFFFAOYSA-N 465.619 4.880 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)N1CCCC1 408576751 QXEQMPOWBVQDGH-STZFKDTASA-N 486.590 4.631 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1F 408892663 BQDOVRLZPHTUMK-DEDYPNTBSA-N 474.488 4.697 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409212077 OQKRHVMULLLSFY-XDHOZWIPSA-N 465.512 4.709 10 40 JJCB O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccco1 1084445 BHIHNPJLGYSNNV-XSFVSMFZSA-N 473.460 4.955 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 8453053 LQMPJNPRPZEHGN-RSPUHVBCSA-N 478.574 4.881 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 8818993 NGRCXIWBISUIHZ-HKJBKDEOSA-N 460.533 4.864 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 17197589 WSPAZTWHTDDRER-LCUIJRPUSA-N 463.541 4.730 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2ccc(F)cc2)cc1 20288429 OREPHVTVJQTBKO-BWAHOGKJSA-N 459.521 4.700 10 40 JJCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(Br)o3)C2=O)c1C 32101823 VFQQQKFKVWHFNC-WDZFZDKYSA-N 468.101 4.928 10 40 JJCB CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 34836429 ISEUCGQEWYZCTH-ZENNRRHLSA-N 494.183 4.850 10 40 JJCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 408815521 RPBBGWQFWHIYNJ-LDADJPATSA-N 470.710 4.560 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 408876980 RPZSRDSRAROHRO-RGVLZGJSSA-N 494.906 4.754 10 40 JJCB COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=S)NCc2ccco2)cc1 884246 CAMBOMGOCFJRTO-UHFFFAOYSA-N 461.587 4.823 10 40 JJCB CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8820124 DLEKKHOBNSUYHR-MNDPQUGUSA-N 463.621 4.968 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1Cl 13549811 IGEXQZLGUDMRFN-UNOMPAQXSA-N 463.921 4.731 10 40 JJCB CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4cccc(C)c4)c(C(F)(F)F)oc23)CC1 19791780 IKHILEKZBAFYOM-UHFFFAOYSA-N 462.468 4.756 10 40 JJCB biogenic O=C1C(=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 59488072 YMVNZQQNNYSCSF-UHFFFAOYSA-N 498.564 4.943 10 40 JJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1cccc(F)c1 409348254 RWSCXYZURGVDCN-NVNXTCNLSA-N 454.342 4.665 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[N+](=O)[O-] 8820003 ZFNONMMKGYUIMT-MOSHPQCFSA-N 499.570 4.724 10 40 JJCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc21 10435062 UFPYUWMIUWADCJ-UHFFFAOYSA-N 453.519 4.858 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)cc1Cl 34705635 IMFAJJDSDCNKCZ-CIAFOILYSA-N 485.993 4.932 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101481512 RMWIOLBATDPVBO-NJDAHSKKSA-N 492.314 4.689 10 40 JJCB O=S(=O)(O)c1cc(/N=N\c2c(O)ccc3ccccc23)cc2c(S(=O)(=O)O)cccc12 104366874 FNSFKCGGKCRLFJ-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 408894520 ILWGTMZCPSRVJZ-QGOAFFKASA-N 450.853 4.725 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c1 409200527 HYHGUBHKVGFZHB-DEDYPNTBSA-N 463.467 4.622 10 40 JJCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2)SC1=S 9057095 RPCADZIGIZBPER-ATVHPVEESA-N 450.379 4.738 10 40 JJCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1C 33390360 PBTVRJVFXXJHSZ-JYHUHERQSA-N 454.559 4.773 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl 409229843 AHWIVSRNGKPHDT-GZTJUZNOSA-N 467.890 4.648 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409241843 OYQAXPUHHUOERO-OEAKJJBVSA-N 487.581 4.747 10 40 JJCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2700690 SGFZMSYVLVUOLX-OVCORXIESA-N 466.496 4.882 10 40 JJCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)C(=O)C2=O 16739501 URUNJFKMGKZHIQ-VQTJNVASSA-N 495.167 4.630 10 40 JJCB Nc1nc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc(Nc2ccccc2)n1 21728821 FZSXOXMUXSNCRO-LJQANCHMSA-N 459.579 4.532 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3cccn3CCOc3ccc(Br)cc3)C(=O)N=C2S1 30819125 YDELABHUDZOCED-JSIBOBQWSA-N 486.395 4.749 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 33349118 SESITMKULPCIBJ-DUIHUKNUSA-N 489.340 4.860 10 40 JJCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1cccc2ccccc12 104123985 AJQQUMFFWDHJIC-UMQBKLLPSA-N 493.570 4.777 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260927044 XWFSYUSIHMCXHP-FGZHOGPDSA-N 457.043 4.986 10 40 JJCB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)O)o2)c1 408633420 MWRGDTKVDKFODO-CIAFOILYSA-N 467.547 4.962 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OC(C)C)C1=O 408813906 YWYDAPJHXOBHGC-XNTDXEJSSA-N 477.742 4.865 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(Cc2ccccc2Cl)c1 408873423 QZAZIQCFVCODAD-RGEXLXHISA-N 464.880 4.745 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3F)c(OC)c2)C1=O 408876035 ITNXWNSWJUTQEO-STZFKDTASA-N 458.489 4.654 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409051136 AMLVSQIOCKFDMQ-ODLFYWEKSA-N 461.992 4.992 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409068294 ILTUCLOYFSEMQP-VXLYETTFSA-N 466.881 4.762 10 40 JJCB CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1237768 GFJMJADENDIKTQ-STZFKDTASA-N 482.627 4.834 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)OC 3768896 LYCYJYJJWOCAST-GIJQJNRQSA-N 481.954 4.835 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 8819315 RZNTYHWBFQLNLD-PGMHBOJBSA-N 498.626 4.882 10 40 JJCB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113179 OJLXBGIYGKNHGK-UHFFFAOYSA-N 477.630 4.740 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(=O)O 223499006 ZYDQCABKIDDZAM-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc1 408901143 WGHVJAQFMDGXHK-UNOMPAQXSA-N 486.952 4.981 10 40 JJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409102385 ZEKUPHIWFREHAF-MOSHPQCFSA-N 453.539 4.718 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)NC1=S 409175264 ZNSLRLOHABMMJK-PXLXIMEGSA-N 481.577 4.838 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409230604 ZZNWXSASHFHHLC-RCCKNPSSSA-N 457.530 4.776 10 40 JJCB COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1 409368904 RYMOAWXANGOCGX-FRKPEAEDSA-N 484.386 4.949 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Br)cc3)C2=O)c1 8765549 ZNSKYCWYTLLHTG-ATVHPVEESA-N 477.405 4.688 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 8819446 PNBXKRJWURXKSH-STZFKDTASA-N 470.616 4.941 10 40 JJCB Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 13899577 OFMOJFRTFVRYIU-UYRXBGFRSA-N 494.432 4.721 10 40 JJCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 14356622 OSPKETKWSIKRRR-FSKGUYTJSA-N 474.412 4.642 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F 34856916 IPVSHGRYKRWDMK-JCMHNJIXSA-N 458.489 4.603 10 40 JJCB CCCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101509419 RMIKWGWBLWYHJM-UODIDJSMSA-N 471.557 4.593 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)cc1C 408761914 MHTAZHPSJZNPGO-IWIPYMOSSA-N 492.535 4.563 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O 409245128 NVPWQKDNYRONOP-RCCKNPSSSA-N 457.530 4.776 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)N(c2ccccc2)C1=S 4662461 RFEGWTLHTKGNIZ-QNGOZBTKSA-N 474.538 4.907 10 40 JJCB CC(C)c1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 9246256 RZTZBGGHDFXKPK-ZRSBZDGVSA-N 475.496 4.872 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 9264580 NVTBGEZFVXFMPM-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCCc1cccs1 9586619 HNZAYRUJDSZOJJ-UHFFFAOYSA-N 450.427 4.845 10 40 JJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 13897293 HZHPORFTCPQSNR-KQWNVCNZSA-N 487.468 4.868 10 40 JJCB O=C(C1=CN(c2cccc(Br)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1 48990211 RDTASXMPWSDIQS-UHFFFAOYSA-N 481.799 4.882 10 40 JJCB O=C1C[C@@H](c2cccc3cccnc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96222452 DKYHDVPTDHJQSM-INIZCTEOSA-N 467.433 4.566 10 40 JJCB biogenic CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223652398 KVKGYDRTYANGOH-DHIUTWEWSA-N 469.010 4.678 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223652908 GHJJOIVKHVFPCE-DHIUTWEWSA-N 469.010 4.678 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 408895204 CXQCRMHZCSIYIO-KQWNVCNZSA-N 474.488 4.860 10 40 JJCB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1ccc(N(C)C)cc1 408985896 BJYJUDNVRYZPNH-JOCHJYFZSA-N 464.547 4.956 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409101686 XFBQNBAZDRDKNC-RAXLEYEMSA-N 472.240 4.828 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC 8819448 WBJIQHHPMGKRRX-STZFKDTASA-N 470.616 4.941 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)NCCc2ccccc2)C1=O)=C\c1ccccc1 8820580 XZUXLAGOFSQJIX-GVSYXSRGSA-N 450.629 4.973 10 40 JJCB COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1 13775618 WXPVFOAOLUMTAN-FYJGNVAPSA-N 460.461 4.916 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)cc1 18249436 ZNXPYUDGSSNCDX-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB O=C(c1ccc(N2C(=O)CSC2=S)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25637961 DYTWCXNIQMTTKB-UHFFFAOYSA-N 487.650 4.599 10 40 JJCB O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(c2ccccc2)CC1 59489931 KIELSBAVQZNICV-MHZLTWQESA-N 458.562 4.843 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102693054 JXQVHMLNHIEVKH-NJYVYQBISA-N 455.297 4.750 10 40 JJCB COc1ccccc1NC(=O)CC(=O)N1N=C(c2ccccc2)[C@H](/N=N/c2ccc(Cl)cc2)C1=O 102959412 LGWYBQFNPXEUSO-USTXVIIHSA-N 489.919 4.603 10 40 JJCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1 169683733 ZQMRKDKGGFLAHB-ZSXPUABSSA-N 456.498 4.788 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223652312 KVKGYDRTYANGOH-PKTZIBPZSA-N 469.010 4.678 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 225524271 URNJSNJHKDHWKG-KAYWLYCHSA-N 496.640 4.885 10 40 JJCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Br)cc1F 408902067 FCEPHIFCDSZIAX-JMIUGGIZSA-N 468.351 4.766 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409074427 ZKFVEOGQUZRDRY-NDENLUEZSA-N 479.989 4.896 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)N1CCCC1 409358630 MSUBBAXPDFOKHW-FYJGNVAPSA-N 486.590 4.631 10 40 JJCB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 967085 RICMTCKNTOGDEQ-HIPMGEKLSA-N 463.964 4.602 10 40 JJCB CCN(CC)c1ccc([C@@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 1420847 KMEAFEKBHCKUJG-HHHXNRCGSA-N 491.657 4.995 10 40 JJCB Cc1c(NC(=O)CCCN2C(=O)S/C(=C/c3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C 6143088 SWHQZQWTTBYIIW-CAPFRKAQSA-N 492.626 4.740 10 40 JJCB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 10113526 LMOBPTAOGMRBFQ-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB Cc1ccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 12285251 MZTODITWPAMGAP-ULJHMMPZSA-N 474.488 4.648 10 40 JJCB CCOc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 100525407 HYVASJZOZSRMLK-FYTMPNSFSA-N 450.480 4.992 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1 223268307 GFRQNKGNJHMKSU-GOTSBHOMSA-N 454.043 4.677 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c(OC)c1 223563184 MSAWJJRDNIWPTH-RSZPVBOMSA-N 491.588 4.871 10 40 JJCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c1OCC(=O)O 409212100 OWXXAKBRIADNLW-YBEGLDIGSA-N 494.388 4.717 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c1OCC(=O)O 409346213 MYLQXBKGASMQEA-UNOMPAQXSA-N 451.525 4.718 10 40 JJCB COc1cc([C@@H](Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)N(C)C)cc(OC)c1OC 604404623 GDNOUSZMKVNEBL-JOCHJYFZSA-N 484.552 4.542 10 40 JJCB biogenic COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)C(O)=NC2=S)cc1 660998 XKYLZPVQSDODCX-OEAKJJBVSA-N 488.569 4.733 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 8821550 OTFGKNXRDXSOQO-VHWUNXFSSA-N 460.533 4.864 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(O)=NC2=S)c1 17058740 JSRMMFQHUYGHMB-UYRXBGFRSA-N 463.471 4.925 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 26680982 IOVWIEPTDOTTLO-LECIVKJOSA-N 484.965 4.754 10 40 JJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 108026843 SBNDXOMMZIJRNU-FBJMNJBLSA-N 472.994 4.974 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222906344 ADOUYCCYFBQHSF-SXOMAYOGSA-N 489.689 4.954 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc(C)c(C)c2)c1 408808063 DQACLJQDYGUAOX-ZVHZXABRSA-N 470.525 4.866 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 1005943 XNUNQRPTEFVXGU-QRVIBDJDSA-N 495.601 4.596 10 40 JJCB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 6144465 JUCJQPXQYLYHBW-TZRRMPRUSA-N 461.949 4.766 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3cc(C)cc(C)c3)C(=O)N=C2O)cc1Cl 8768477 DPXZPFMUELTKQC-KGENOOAVSA-N 493.947 4.717 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c1 16693231 VGTWSQSVHGNHLV-OYKKKHCWSA-N 473.598 4.941 10 40 JJCB Cc1c(O)c(CN2CCOCC2)cc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc12 23114851 QVAIQKJBPIVCJW-UHFFFAOYSA-N 476.476 4.935 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 59135829 CUAUPBMGIYTQPH-RVDMUPIBSA-N 467.434 4.674 10 40 JJCB CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 107773068 VIWRMRPUKJMMHK-DHDCSXOGSA-N 493.741 4.566 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(Cc2ccccc2Cl)c1 408868699 AVGSPSFSXIYRNU-RCCKNPSSSA-N 460.917 4.914 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409131520 JQMSCIXWISSGMZ-XQNSMLJCSA-N 452.576 4.973 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 1153572 OOWSJPSYSSDHEV-YUSFRKCESA-N 477.742 4.946 10 40 JJCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 9187025 ADNVHGRPCNGCAL-WOJGMQOQSA-N 484.942 4.844 10 40 JJCB O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=NC(=S)N1c1ccccc1F 16449009 ZWLXKHMZGVSJHA-AQTBWJFISA-N 477.473 4.985 10 40 JJCB COc1ccc(CCNC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1OC 27019805 YDQSTSLKBWRLQG-KQWNVCNZSA-N 498.670 4.777 10 40 JJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Cl)c4C)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102672094 NDQPSLACEYGVTM-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408801163 RVNXENBKIKZXRG-XNTDXEJSSA-N 463.715 4.558 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 409091261 SEGCBFYZQHJJBB-BOPFTXTBSA-N 481.917 4.956 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1OC 3864602 JHFHPVORXGTGQS-QNGOZBTKSA-N 486.615 4.810 10 40 JJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8818961 CIJZWPZWCUZQDM-BRYYZUPOSA-N 498.991 4.916 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 26531831 XKZWAGUBFZEZSU-FNSOMLPHSA-N 484.691 4.958 10 40 JJCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 35153400 VCKZIEMJQWQPDM-UDWIEESQSA-N 497.320 4.637 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1OC(C)C 101533044 QHOVCXNDFGHHAE-IUXPMGMMSA-N 473.323 4.749 10 40 JJCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O 106743367 UYRQCECGMXIBGY-MFOYZWKCSA-N 452.454 4.712 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1 408776099 UEHQQAPYUGCJFV-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)N(c2ccccc2)C1=O 409017091 WJYIBIZIRXSCST-ULJHMMPZSA-N 471.557 4.736 10 40 JJCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1C 27018690 ZGLPGDMKVYSDEK-BKUYFWCQSA-N 493.610 4.922 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccc(OC)c4)c(OCC)c3)C(=O)N=C2S1 33457245 LADHBKITLTVSCU-QLSUFNALSA-N 492.557 4.732 10 40 JJCB C[C@H](c1ccccc1)N1C(=O)NC(=O)/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C1=O 41074061 GRKVYLZPFFDOQN-ATPAHOSSSA-N 483.553 4.558 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 41084703 XQWNDTCQBQJCGI-ICALIKLASA-N 489.601 4.645 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1Cl 41085040 FUKYSQSRDJOVAN-ACKDDNJSSA-N 495.992 4.600 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 103791045 PTVNLIOXNXKRMY-XDHOZWIPSA-N 490.313 4.741 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274196 XMPMJVIHFWRPNK-BJKOFHAPSA-N 468.070 4.985 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408775261 GFQAPIBILVOXIJ-UQQQWYQISA-N 498.535 4.590 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(I)c1O 408901368 DSNOQXDSSBEICQ-ZSOIEALJSA-N 483.103 4.565 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)cc(Cl)c1OCc1cccc(F)c1 409143745 HGOCHBKBUWBSFM-LJQANCHMSA-N 484.014 4.875 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 409146072 QTRDGYOUORDMOI-NVNXTCNLSA-N 468.343 4.756 10 40 JJCB CC[C@@H](C)c1ccc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1 2261235 NKWYQFWAUYSWRW-GOSISDBHSA-N 459.546 4.668 10 40 JJCB C[C@H](NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 9125287 LQCSCGQPEAQCKF-ZDUSSCGKSA-N 482.319 4.803 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13643925 BVXINOAOHQDTML-YVWUKRILSA-N 484.691 4.877 10 40 JJCB COc1ccc(N2CCN(c3ccc(-c4nc(-c5ccc(C)cc5)no4)cc3[N+](=O)[O-])CC2)cc1 20897696 ISFYMQOEMLIZFE-UHFFFAOYSA-N 471.517 4.955 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 41084182 QTACXFNSUBFSOS-MPZQNCSBSA-N 460.950 4.810 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 208238570 XVMDJXFYWBKIOA-XWAFYUISSA-N 453.995 4.893 10 40 JJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)C1 260843285 PZUOJHLTYFRDLQ-OALUTQOASA-N 493.620 4.625 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC 408774598 WPONPJLOQXPSNH-NTEUORMPSA-N 482.842 4.823 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 409238154 CNQUABCBGZQEME-XDHOZWIPSA-N 484.455 4.999 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 1277003 XYDIUXTUKYWLLC-LPXFMOJISA-N 477.991 4.690 10 40 JJCB COc1cccc(OCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)c1 9309209 LEAITDHECIOEOL-NMYLSWQBSA-N 458.543 4.896 10 40 JJCB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 9469301 VFVZLJJUPVUUAP-UHFFFAOYSA-N 495.649 4.592 10 40 JJCB Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Br)c1 13944076 DFMZZFBSWMLJRC-HINGXDCCSA-N 455.337 4.585 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 33935225 RUXKHLMPLAALBS-RRHMFZOISA-N 451.861 4.929 10 40 JJCB Cc1ccccc1OCCOCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 41077638 HOADFPODVXXQBQ-ZHZULCJRSA-N 464.008 4.954 10 40 JJCB C/C(NC1CC(C)(C)NC(C)(C)C1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 95482946 JITGTSXQZLWEDI-VBKFSLOCSA-N 465.545 4.734 10 40 JJCB COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221939 JWEVBKSWKXIJFI-CYBMUJFWSA-N 486.398 4.689 10 40 JJCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)C2=O)cc1 408537992 YFQORTISNCPPEA-ZHZULCJRSA-N 460.873 4.534 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408586569 NYFPHCPPNIPTPC-BOPFTXTBSA-N 477.435 4.608 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCC1 408591094 ILQRUZHCHMVUEP-UHFFFAOYSA-N 482.989 4.916 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(Cc2cc(C)cc(C)c2)c1 408876649 MWIHUOWWKJKETK-LFVJCYFKSA-N 454.526 4.878 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)CC)c(Br)c2)C1=O 409235690 CWXIQVVAUHIYEG-RGHBXIHOSA-N 487.350 4.692 10 40 JJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N[C@@H](C)c3ccccc3)nc12 1103773 HQNJKEHIQZSQRC-HUCUOGIVSA-N 464.616 4.786 10 40 JJCB O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2ccccc2Cl)C1=O 1107827 FKCFMFYDCPNFCE-BUHFOSPRSA-N 451.754 4.831 10 40 JJCB O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1 4092713 KPDGLDYXJILDTK-MHZLTWQESA-N 487.600 4.559 10 40 JJCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8821537 QQYOHAFULKIACI-XDHOZWIPSA-N 499.957 4.983 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214555 UFWDCACNUPBILK-FQEVSTJZSA-N 485.968 4.936 10 40 JJCB COc1ccc(N2CCN([C@@H](CNC(=O)C3(c4cccs4)CCCC3)c3ccco3)CC2)cc1 38598213 DMZCUBPYHSCHEY-QHCPKHFHSA-N 479.646 4.841 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1F 223308577 XJNAOPXRAVBPSP-NWVWQQAFSA-N 450.583 4.780 10 40 JJCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc(Br)c1OC(C)=O 408742381 OQIMZWIMKGLFSX-CXUHLZMHSA-N 459.292 4.763 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OC(C)C 408801309 VBKWPFIGLOSVJK-LICLKQGHSA-N 487.350 4.610 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(F)cc1 408802919 JFCGFPXBCACNFB-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408809077 HHZAKKPUMQPRQB-SFQUDFHCSA-N 457.324 4.521 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC 408903547 ZNRVIANVGUYUBG-GZTJUZNOSA-N 463.964 4.696 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)NC1=S 409079772 LKGDQJOTZVBKDI-BOPFTXTBSA-N 461.381 4.504 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1 409349317 PTJGDVXFMYWXPJ-UDWIEESQSA-N 473.982 4.870 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O 9087557 YDBZXRIHCLXMNT-PFBJBMPXSA-N 494.522 4.807 10 40 JJCB CC1=NN2C(=N)/C(=C/c3ccc(OCc4cccc(C)c4)c(Br)c3)C(=O)N=C2S1 12285267 QLNHTRJIETYKQK-NJOZZACWSA-N 469.364 4.976 10 40 JJCB COc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)cc1OC 12544421 QWFJVCDHJJQCKT-UHFFFAOYSA-N 462.369 4.598 10 40 JJCB COc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 13661094 FUJFUFDVHKCLMV-JWGURIENSA-N 499.498 4.534 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 13940767 YRIVPYCFXAMUQU-WOJGMQOQSA-N 452.869 4.528 10 40 JJCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1ccc(O)cc1 19948645 HYYTXXBHKAVBIR-LYBHJNIJSA-N 455.583 4.770 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12 41074169 QWRUTYIIFCCAHA-CAPFRKAQSA-N 469.570 4.967 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COCc1ccccc1 224751635 SODHEILKBYVQHE-UHFFFAOYSA-N 460.574 4.773 10 40 JJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 225229921 BTTPXTSCJMKFDR-SVBPBHIXSA-N 497.624 4.943 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 409216284 JRQYFARDHHDMKW-UDWIEESQSA-N 462.483 4.628 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Br)cc1 1268972 LCTYZGXMNCGCBG-PTNGSMBKSA-N 451.367 4.662 10 40 JJCB Cc1cccc(Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2222832 XMPKANNDDJYGIC-UCQKPKSFSA-N 453.473 4.804 10 40 JJCB O=C(O)CCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O 8870698 GRISDDUMMRDKDQ-UHFFFAOYSA-N 482.377 4.676 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9109139 XPMFAVZVBPMSOV-HZHRSRAPSA-N 471.944 4.959 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 9464152 QNIMOXKQQIVMLF-RGEXLXHISA-N 488.679 4.621 10 40 JJCB COc1cc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1OCCC(C)C 95927099 WLZJMNVQQUBKHB-XIEYBQDHSA-N 479.646 4.908 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 107841075 QWPORLSSBOVYAJ-GRSHGNNSSA-N 492.915 4.508 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836973 MXXRHMQIUJIRCV-DHIUTWEWSA-N 465.579 4.787 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 222978311 BLYMPEGCYLPKHJ-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(Br)cc([N+](=O)[O-])cc1Br 408723324 QYYJQLUCRUYNPR-LCYFTJDESA-N 480.116 4.838 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1 408760015 PZBNNAFJNCRZLZ-WOJGMQOQSA-N 464.861 4.581 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC 408805861 HZISHFIDNKMKBL-LDADJPATSA-N 456.926 4.756 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408883487 TTYCHUPHJJBBEF-ODLFYWEKSA-N 496.947 4.898 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)SC1=S 409123035 DJGUBINOLNMPOJ-NDENLUEZSA-N 456.593 4.824 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 409233670 LSZIXFKVHWLXLJ-RQZCQDPDSA-N 499.752 4.571 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 668556 UVXICRIGDNLUPS-UYRXBGFRSA-N 470.403 4.604 10 40 JJCB O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1cccc(I)c1 3087108 BBDBTNSHIWRRSO-OQLLNIDSSA-N 452.342 4.562 10 40 JJCB Cc1cc(C(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 8707396 RCEDWYYBDPUXMH-KRWDZBQOSA-N 486.041 4.874 10 40 JJCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 15013377 MXGJBQOFUTVPEZ-XFFZJAGNSA-N 469.708 4.721 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 16805623 FXPAQVKUNMCVAK-FPXKJXHESA-N 494.642 4.623 10 40 JJCB CCc1nnc(NC(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)s1 95471484 NJRPWYZTFQONSZ-MOSHPQCFSA-N 460.563 4.688 10 40 JJCB CCCOc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)C1=O 101509415 RMIKWGWBLWYHJM-KKUQBAQOSA-N 471.557 4.593 10 40 JJCB COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)cc2Cl)c1 103604877 KVVZUEZBZJDZNY-XSHSNWJLSA-N 469.950 4.973 10 40 JJCB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cccc1OC 408526255 AHMINESKDGUICQ-PXNMLYILSA-N 484.382 4.960 10 40 JJCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 409242754 SWWSYKBVIIUKLQ-LDADJPATSA-N 493.972 4.585 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)nc1 409249659 VBWKDIRZCHWHBH-VXLYETTFSA-N 464.978 4.591 10 40 JJCB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2C)c1 9703885 YTDFHVIABDTDGT-MRXNPFEDSA-N 482.565 4.685 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)cc1 13940267 WHMFKUQEDWAYQZ-CJLVFECKSA-N 473.616 4.699 10 40 JJCB 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O=C1/C(=C/c2cccc(O)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O 5851494 IVWHOSKGAIBAAZ-XHPQRKPJSA-N 484.515 4.735 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 9076571 BJQOGJDHFSZNRS-HMAPJEAMSA-N 453.473 4.804 10 40 JJCB N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 26580628 XDAJCKPRZJZIGW-WEHZRUJJSA-N 473.470 4.553 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 96462419 UOHFBUOGNYREDJ-LDADJPATSA-N 481.262 4.655 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S 409231339 CAWWHXAAKWVBJN-ATVHPVEESA-N 467.344 4.849 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409235109 YOTHOKJFGOHNQI-PXLXIMEGSA-N 463.603 4.640 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 10232961 OEWDZEZAFLAEFB-UYRXBGFRSA-N 468.531 4.552 10 40 JJCB CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 12497595 UQBHDOAHTKTQGK-DEDYPNTBSA-N 451.573 4.778 10 40 JJCB CCc1cc(C)cc(OCCOc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 13893796 UDEDCNXSRWJLAF-BWAHOGKJSA-N 484.552 4.990 10 40 JJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 26840861 BYFYMAKLXJBJKQ-CPNJWEJPSA-N 475.551 4.790 10 40 JJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 100552424 IAQBKPVFLMWCIH-GDNBJRDFSA-N 474.327 4.928 10 40 JJCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422519 WOSNFTBIUXXPCR-IDUWFGFVSA-N 477.995 4.697 10 40 JJCB O=C(O)c1cccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1 207098170 PPAGKPLUEOBSAB-AQTBWJFISA-N 476.485 4.775 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223517987 FRGOCRNZTHPTOI-RPBOFIJWSA-N 455.587 4.757 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC(C)C 408804343 XSVSVKFRSRYAFX-LICLKQGHSA-N 487.350 4.610 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c(C)c1 409231988 GOTBWFLOUQCXPG-OEAKJJBVSA-N 457.530 4.590 10 40 JJCB COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 2447657 BQOYJGOPYVYFIN-ZONZVBGPSA-N 497.522 4.865 10 40 JJCB COCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 8984325 RVLXAHXWMUYXKB-XSFVSMFZSA-N 473.023 4.955 10 40 JJCB Cc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccccc1 9669896 IFUFJMFZTIEFPE-DHZHZOJOSA-N 471.557 4.713 10 40 JJCB Cc1cccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c1 13894892 UFMIAPDJGINSRK-BOPFTXTBSA-N 450.379 4.704 10 40 JJCB COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1OC 22419220 UAIWICGMIXVYKD-VWLOTQADSA-N 474.605 4.691 10 40 JJCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 208196512 OKUYGMBEWFIBGU-YRIIZNAFSA-N 453.995 4.893 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223658055 CCIFHKAMFTZYRD-RPWUZVMVSA-N 483.037 4.987 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1ccccc1F 408883085 TXGDDMOACFJIJU-YVLHZVERSA-N 482.870 4.884 10 40 JJCB 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COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C)o2)cc1 27548716 BMQXELHGFSGGJK-PDGQHHTCSA-N 464.861 4.891 10 40 JJCB Nc1c(C(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)sc2nc3c(cc12)CCCC3 215746328 WBHXAKFTONTJPX-UHFFFAOYSA-N 450.564 4.611 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 224907298 BUNKFYSDUZTBRJ-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2Br)cc1 408692391 LMNOLYCSKFRFLQ-XDHOZWIPSA-N 483.362 4.741 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1C 408758223 WYKZRCYVCMOPLK-CIAFOILYSA-N 493.361 4.535 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 408785962 CRRUHNIUVYOYIE-OEAKJJBVSA-N 480.480 4.573 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(C)c1 409140260 QPZKNJWZWQJUCT-CIAFOILYSA-N 488.569 4.759 10 40 JJCB O=C(c1ccccc1)c1ccccc1Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 1087763 ORIIPTALTWRWEP-UHFFFAOYSA-N 472.345 4.728 10 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CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 40567361 CIJZWPZWCUZQDM-CIKBWMHTSA-N 498.991 4.916 10 40 JJCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)c3ccco3)CC2)cc1 53175183 CCHHYIVRIAPJHE-VWLOTQADSA-N 461.606 4.879 10 40 JJCB C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@@H](C)O1 95959912 QHQORVMTQKBEOZ-CBCLUANDSA-N 462.550 4.758 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 223332753 ZJYNOLMPSKZOCY-UHFFFAOYSA-N 465.619 4.880 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 408855094 BWMPDQVBIIKLQI-LDADJPATSA-N 470.710 4.560 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 408876159 JNSCPHQPBCZBSR-PDGQHHTCSA-N 480.879 4.733 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2700589 JOOGOCQNYYHEDO-STIKNRRDSA-N 457.573 4.901 10 40 JJCB C[C@H](NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 9124875 NTBUCPONNNUOJB-ZDUSSCGKSA-N 482.319 4.803 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 14406708 ALGKWVIBZPOTIZ-UYRXBGFRSA-N 472.335 4.821 10 40 JJCB Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(-n2c(C)c(C)c3ccccc32)c1O 16779668 KIPYUCRIJCDWQI-UHFFFAOYSA-N 451.504 4.970 10 40 JJCB O=C(O)[C@H](CCc1ccco1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 28296963 VERJSCXRMIWJAR-DAQNXSASSA-N 484.511 4.735 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 33762028 IVOVWVNGGUABCP-CPNJWEJPSA-N 497.732 4.783 10 40 JJCB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O 260746035 QKDAUCFCPZWOHH-IBGZPJMESA-N 492.085 4.747 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1 408815223 QSANLLXCDRTWEM-YBFXNURJSA-N 451.885 4.861 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408815989 SCHQOHHARCBDCI-BUVRLJJBSA-N 482.467 4.930 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 408867143 JABCRXGTWGQCNS-AQTBWJFISA-N 495.304 4.834 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c1 2354468 CNMBEYAZXFHTTF-MOSHPQCFSA-N 479.583 4.532 10 40 JJCB CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1Cl 8820722 MMNWFWGVGOXEPU-KGENOOAVSA-N 458.967 4.620 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 13476594 OZTSBQDIAYECQV-XPWALMASSA-N 485.923 4.652 10 40 JJCB CCc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18155592 YXFBPOCDYLARAW-VJBWXMMDSA-N 485.923 4.598 10 40 JJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 32694372 WCTKFJMLDONRNI-ZVCOJXFSSA-N 477.991 4.992 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621493 BSDMNAZVISSKBK-GOTSBHOMSA-N 455.027 4.806 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223722648 YCNOJBBGEGLFFK-RPWUZVMVSA-N 466.582 4.554 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 409041097 IHCONMFMKYIWOT-UYRXBGFRSA-N 490.899 4.592 10 40 JJCB COc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)ccc1OCCOc1cc(C)ccc1C 13686963 OSXMZZSKCVEHMN-STZFKDTASA-N 490.512 4.865 10 40 JJCB CCCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl 26967326 LXZZSANKBLZNSX-HMVFGEFZSA-N 467.827 4.509 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(=O)O)c1 223499317 HMVVLUFXVVCWEW-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408588002 VTKGEJIDYPAUIR-UHFFFAOYSA-N 458.923 4.940 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408776616 XIFFUHNKNMBJRM-UQQQWYQISA-N 482.536 4.890 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 408784779 SQELTIWDXWKOQC-BUVRLJJBSA-N 485.540 4.554 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)C2=O)cc1 409045126 FEYUFDLHVQSZJN-LZYBPNLTSA-N 463.317 4.703 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S)c1cccs1 409217587 QJZPXQZMWRPSHK-XGICHPGQSA-N 460.345 4.509 10 40 JJCB COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccccc4)cnc4ccc(C)cc34)CC2)cc1 2694037 PLXYSQBNIQEOHX-UHFFFAOYSA-N 473.598 4.711 10 40 JJCB COc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1 6296623 MWRONXKVCIEFDJ-JJIBRWJFSA-N 487.556 4.523 10 40 JJCB COc1ccc(OC)c([C@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 9010088 BQOYJGOPYVYFIN-KWXIBIRDSA-N 497.522 4.865 10 40 JJCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 13712079 OREUHRZVDCBBFO-UEIJICEPSA-N 464.616 4.725 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 16732688 APGPGBWJRQYGQK-XGNMISCSSA-N 479.627 4.659 10 40 JJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Br)cc1 19877813 HNAPGQZLOJHJMN-RQZCQDPDSA-N 495.782 4.797 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 20210205 DCCJKNQWYPVDED-BOPFTXTBSA-N 466.837 4.554 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 225019789 LEKXLWXHLWMBMG-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)cc1C 408856386 HZGXMFYNJPPTPH-LPYMAVHISA-N 472.501 4.594 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 408898760 MLTUQPGNTYTBTB-QNGOZBTKSA-N 466.534 4.718 10 40 JJCB COc1cc(Br)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409031172 GOXZKNNVJYDACH-RUDMXATFSA-N 491.210 4.968 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Br)cc1F 409099112 SBKCAQLPGFRYQO-QGMBQPNBSA-N 495.370 4.984 10 40 JJCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 409137892 XCEZNWGCROGQOG-ODLFYWEKSA-N 492.464 4.524 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409223297 FDPBRBLFXNAOAD-QINSGFPZSA-N 481.848 4.573 10 40 JJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409237666 KSQQGLGIJJREFG-CPNJWEJPSA-N 469.488 4.944 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1c(C)cccc1C 8916215 YNVUBICIQKEDRQ-HAVVHWLPSA-N 472.541 4.621 10 40 JJCB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1-c1ccc2c(c1)OCO2 10037146 UOLBILXNZJOOEL-UHFFFAOYSA-N 460.559 4.517 10 40 JJCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1OC 13513317 ZUESEQSUXKSRDO-OQKWZONESA-N 495.535 4.557 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1Cl 13661718 DQXKTSXTZBTHPK-MOSHPQCFSA-N 484.339 4.849 10 40 JJCB O=C(O)c1cccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=O)N=C3O)cc2)c1 13809924 GDYMLGRDHRHXGG-UYRXBGFRSA-N 460.417 4.610 10 40 JJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC(C)CC3)nc12 27016664 MITDRDNQSXFYGC-RCCKNPSSSA-N 490.654 4.641 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 41082543 BNBZUFJRCBPRKP-LEHBZZPOSA-N 467.909 4.647 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223271196 XISKFBREWHZWCN-RRPNLBNLSA-N 490.721 4.869 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408782684 IQSWOGSIJLNZMZ-ULJHMMPZSA-N 468.509 4.581 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccccc2)C1=O 408868215 NCCLXCKLUKIJAB-JCMHNJIXSA-N 456.498 4.503 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1 8842989 YXVJXBSBJKVGMU-QJOMJCCJSA-N 486.524 4.518 10 40 JJCB Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9127106 QEJLMJSUXAMACN-UHFFFAOYSA-N 470.407 4.614 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c(C)c1 9434929 ABGASOTXRBTTFL-KBUZEUCASA-N 488.491 4.943 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1OC 13750950 AGSLFHPSSJXEIL-PXNMLYILSA-N 499.397 4.565 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)(C)c4ccccc4)ccc3O)CC2)cc1 19313337 ODUAPSDPEWKONL-UHFFFAOYSA-N 464.631 4.533 10 40 JJCB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 33048536 KDFHEHCWWKAWFT-UHFFFAOYSA-N 477.369 4.661 10 40 JJCB Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 33932979 SEMROOFQIRMDTK-PPNFIQLJSA-N 474.464 4.634 10 40 JJCB O=C(C1=CN(c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 49003878 KPXLGJPRTXUDRZ-UHFFFAOYSA-N 456.873 4.748 10 40 JJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 100930996 ITFDDJZSIHOPJZ-XQNSMLJCSA-N 480.977 4.537 10 40 JJCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422487 UBRQPIDJXWXQBX-IDUWFGFVSA-N 450.988 4.928 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 111505629 LOPOAJYTAVJGQH-CIAFOILYSA-N 466.335 4.655 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 224306376 DUEVFFUKNIQQNB-UHFFFAOYSA-N 486.037 4.698 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1 408820280 VCMZSLZGEXKXPH-UDWIEESQSA-N 481.911 4.952 10 40 JJCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O 408835140 WHRXBXVZZNAGPN-XQNSMLJCSA-N 456.498 4.639 10 40 JJCB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\SC(=S)NC3=O)cc2Cl)cc1 408890197 POIGPGIUPUUJSV-ZSOIEALJSA-N 460.385 4.558 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1C 409013235 MPAFPKNLNSATJC-CPNJWEJPSA-N 480.387 4.688 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc([N+](=O)[O-])cc(Br)c1O 409045199 IAGZDGVTFSKVHS-BAQGIRSFSA-N 492.154 4.565 10 40 JJCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409127813 JYADZAVYPORISF-VLZFXTDASA-N 490.654 4.839 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1[N+](=O)[O-] 409239710 DGRNNFQWCGCFQU-WOJGMQOQSA-N 494.960 4.795 10 40 JJCB Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)c(=O)[nH]c2c1 875254 PBRKQGMQKXRALZ-UHFFFAOYSA-N 475.570 4.544 10 40 JJCB Oc1c(CNCc2ccccc2)c(O)c(CNCc2ccccc2)c(O)c1CNCc1ccccc1 1679809 CWCVEKYZLWDOTO-UHFFFAOYSA-N 483.612 4.673 10 40 JJCB CN1CCN(c2ccc(/C=C3\N=C(SCc4ccc(Cl)c(Cl)c4)NC3=O)cc2)CC1 8762112 HGWSBFOWHQVQBG-MOSHPQCFSA-N 461.418 4.505 10 40 JJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 8921397 JQYFJKIZPOJAPT-HNNXBMFYSA-N 486.775 4.813 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2C)cc1 13646352 VSNWVSBENUPQBO-UHFFFAOYSA-N 463.603 4.634 10 40 JJCB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccccc1 18140402 FMXXKQPNYONAHS-NJYVYQBISA-N 499.748 4.859 10 40 JJCB O=C1C[C@H](c2ccc3ncccc3c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96116177 IWUKCGVQEQINAQ-MRXNPFEDSA-N 467.433 4.566 10 40 JJCB biogenic CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 408772278 GDDOSHJXODDMDG-BUVRLJJBSA-N 457.530 4.776 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1O 409034330 NNRHORHYDGYTDC-FPYGCLRLSA-N 477.183 4.665 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c(OC)c1 409094712 FMXPTUGBLGXODS-WOJGMQOQSA-N 482.945 4.757 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409242366 RICAFEZZOKAUHL-NDENLUEZSA-N 463.921 4.731 10 40 JJCB Cc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 13749823 MRHINUNVSZCVMM-OHYLSHRZSA-N 497.580 4.905 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21)NCc1ccccc1 59109527 DLFNRYBUVDCAAQ-HZHRSRAPSA-N 484.556 4.593 10 40 JJCB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956891 UHUKHCRACBLMTP-CALCHBBNSA-N 459.063 4.699 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408783910 PBZNQKSVHXALDS-UQQQWYQISA-N 498.535 4.590 10 40 JJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8763412 VBIFQJHZJCMSRD-LIOBOASVSA-N 452.897 4.573 10 40 JJCB Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 9030106 HROGXRBCQWDCPT-ATVHPVEESA-N 461.406 4.988 10 40 JJCB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9703894 BZKINIAHJGLFEN-UHFFFAOYSA-N 454.265 4.564 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406612 GOACKOIIDCTRHQ-ZHZULCJRSA-N 451.519 4.597 10 40 JJCB Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 32124914 ABUPRTAGTLVHTM-UYRXBGFRSA-N 459.483 4.721 10 40 JJCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)c3ccco3)CC2)cc1 53175185 CCHHYIVRIAPJHE-RUZDIDTESA-N 461.606 4.879 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223693155 USZDVRDSODXGIH-RSXGOPAZSA-N 476.646 4.950 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1 224992303 KTRSZEDZRRONGN-QHCPKHFHSA-N 485.694 4.963 10 40 JJCB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2)cc1 260801627 IWEIDCXGTPTGCW-CTNGQTDRSA-N 490.069 4.608 10 40 JJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1 408801570 VXNHEUVBUKGCNV-RGVLZGJSSA-N 491.887 4.802 10 40 JJCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408935071 CFRGKIIEBIWQBI-HYARGMPZSA-N 471.469 4.624 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc2ccccc12 409215605 CDOHZVQMQQAFPI-BUVRLJJBSA-N 482.515 4.918 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 409228197 VTQSCPLLQNTRMV-FOWTUZBSSA-N 475.879 4.981 10 40 JJCB Cc1ccc(-n2c(SCC(=O)Nc3ccc(N)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 930573 BWUJMVBNZHNCKJ-UHFFFAOYSA-N 476.627 4.947 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 225505823 MXJMAXMVXUOLAG-SXOMAYOGSA-N 497.624 4.806 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC(C)C 408601114 ILORGAITWFUILI-UDWIEESQSA-N 457.573 4.740 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2cc(C)cc(C)c2)c1 408867491 LDJPNXLNBZTKAL-JLPGSUDCSA-N 456.567 4.734 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)NCc3ccco3)c12 409127785 HOXVCCYILDPRBI-NHDPSOOVSA-N 481.643 4.970 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1Cl 409246918 KZSQMZGAEZGURP-WOJGMQOQSA-N 456.354 4.924 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409249828 PAKDAJSUYNTHSD-OEAKJJBVSA-N 486.572 4.559 10 40 JJCB COc1cc2c(cc1OC)-c1cc(Nc3ccc(Oc4ccc(N)cc4)cc3)nc(=O)n1CC2 2241279 ZLJZMQCDFNJMKR-UHFFFAOYSA-N 456.502 4.602 10 40 JJCB biogenic O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8819288 ROBWGRGBYTYGNR-MGMWDDNKSA-N 486.354 4.773 10 40 JJCB COc1ccc(N2CCN(C(=O)CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)CC2)cc1 9635502 KBAIODZKLQRGHE-UHFFFAOYSA-N 493.079 4.766 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)cc1 33145068 KDNFSZXZMDZALP-QDLOHUEYSA-N 456.483 4.621 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F 34687444 QYXPSVJILGYEMY-XGCFFSCVSA-N 473.533 4.931 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)O)cc1 108192917 DGTSSPXRVLRXDQ-JLPGSUDCSA-N 498.535 4.552 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408774503 OYFBJMKNRDETLK-LICLKQGHSA-N 487.350 4.530 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 409242825 PGBKFNYSFBPIST-DEDYPNTBSA-N 491.931 4.509 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)o1 409330181 KFEPDSIMGAPMBJ-KEBDBYFISA-N 482.495 4.998 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 8700761 NUEHYMYJNWVHIX-CIAFOILYSA-N 470.660 4.762 10 40 JJCB O=C(COC(=O)CNC(=O)c1ccccc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 9539699 LPAWPBOOBOILRK-BYYHNAKLSA-N 450.882 4.667 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=S)N=C3O)o2)cc1 13810255 KUXNQOYZRJQQIY-ZHZULCJRSA-N 476.510 4.804 10 40 JJCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 13893121 GNIBTSDJFUCTOY-JIGGIXHTSA-N 479.558 4.555 10 40 JJCB C[C@H](COc1ccccc1)Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 13940631 PULTZXQZKMEWIO-HBAFHOPNSA-N 451.526 4.818 10 40 JJCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cc(Br)cs3)C2=O)c1 59104450 FJTLOZJIOHYQKK-NTEUORMPSA-N 465.325 4.815 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Br)cc1 223268877 LHIAJFHODHJZJH-DHIUTWEWSA-N 498.494 4.786 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)C2=O)c1 408529062 BYTKGWNXJFEHQB-CEFCJMCMSA-N 486.911 4.934 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)/C=C/c2ccc(Cl)cc2)C1=O 408536523 RSTREMJVWKYOQT-LRFXARPXSA-N 486.911 4.934 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccccc1F 408914902 ZPKUFNFGJYTGLI-GIJQJNRQSA-N 498.869 4.872 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409231655 DXDSHJXHHHOECI-FOWTUZBSSA-N 481.848 4.573 10 40 JJCB O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Cl 9850495 SIFAUZJHQPCUNX-HKBOAZHASA-N 492.314 4.689 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 33709877 STKMMGPKVPFQJU-BQJAUFPSSA-N 464.551 4.976 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CN(C)Cc2ccccc2)c2ccccc12 101366248 AASCVVRBCAYONM-UPKGHWAZSA-N 478.596 4.940 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 110422777 ZHQNVHOMEXWYPI-KEBDBYFISA-N 472.632 4.543 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)NC2=S)cc1 408758996 WGHDVNJKDOQORF-LFVJCYFKSA-N 473.598 4.887 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 408768971 KQAPOEKDHYSLEW-AQTBWJFISA-N 472.335 4.734 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901239 CJTWUQIGURQMQC-GZTJUZNOSA-N 463.964 4.696 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 408941372 WJUWTZDZLOFNEA-MOSHPQCFSA-N 450.853 4.725 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 409166048 CKSZBHVVVKEGRX-FYJGNVAPSA-N 463.921 4.940 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(OCC)c4)C3=O)c2C)cc1 409186300 ACJFJLQLCAOMNF-BUVRLJJBSA-N 473.529 4.558 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)cc2)cc1 1410436 AEGZJVBFPOEIEK-HMAPJEAMSA-N 477.611 4.968 10 40 JJCB COc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 6546596 OXRUZNKSFJELAJ-VWLOTQADSA-N 461.562 4.801 10 40 JJCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc(F)cc1 12605778 TZRPJAYGWONDTJ-UHFFFAOYSA-N 456.520 4.581 10 40 JJCB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)N(CCc1ccccc1)Cc1ccccc1 14009694 SZHBCTCNBFJFJB-IGKIAQTJSA-N 460.599 4.626 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1F 223225065 JATQTSBZUHORLA-RPWUZVMVSA-N 451.615 4.552 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)c1 409020368 ONLOTGUHGXIIHG-LPYMAVHISA-N 487.581 4.549 10 40 JJCB O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1C[C@@H]1CCCO1 409088581 GHXIYECDWPSFRV-SCWSXOCZSA-N 456.545 4.554 10 40 JJCB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccc4c(c3)OCO4)=NN12 13810970 XVZYBKKZHAVMJT-UHQOKOQESA-N 482.521 4.662 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 33711801 CNIPZZGPWDTSCR-DSNGMDLFSA-N 455.460 4.987 10 40 JJCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 33761434 BMWNRMNTDXUXAI-XSFVSMFZSA-N 479.583 4.614 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1 41108058 QLKIOPFTKQJNLS-HTWVIFJXSA-N 455.543 4.852 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223518834 SJPIRODTQFUMOI-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C(C)C 408766870 TXQASVDRYGOABY-WOJGMQOQSA-N 471.351 4.864 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409066197 MFCYPDJOGNYOSM-JCMHNJIXSA-N 452.919 4.914 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 2169967 RWPIODBMAVXTEP-RGVLZGJSSA-N 480.473 4.767 10 40 JJCB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1 8728590 DWXTXSQHNXXRMX-UHFFFAOYSA-N 451.504 4.792 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)=NC3=O)o2)cc1 9309682 KIXAKIBOSFCTKX-KQWNVCNZSA-N 474.542 4.956 10 40 JJCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 27563032 LVQIOAHGZTVVGG-BKUYFWCQSA-N 471.600 4.737 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)c(Br)c3)C(=N)N2O1 41078489 LMZYLJADBKXZIQ-VMGUOVNQSA-N 482.334 4.666 10 40 JJCB O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)cc1Cl 207084799 UUJIHSLMJUTLMM-OQLLNIDSSA-N 480.816 4.534 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)C2=O)cc1 408817430 UAZMLVBBWKNNPA-XQNSMLJCSA-N 456.498 4.639 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c(OC)c1 409095246 HCZXIODGJSKYPQ-XSFVSMFZSA-N 476.579 4.686 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 409246440 IKOQVAMBTFICMR-UNOMPAQXSA-N 466.950 4.818 10 40 JJCB NC(=O)c1ccsc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 9465124 FIJFZIXQJBQSBM-UHFFFAOYSA-N 466.563 4.629 10 40 JJCB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113584 DLRYHJHWHZCQBJ-UHFFFAOYSA-N 498.048 4.836 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 13943281 QEVYTESIZOUBRX-PXLXIMEGSA-N 462.527 4.577 10 40 JJCB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1 32099561 XXOFAZZPMUZOSK-ATVHPVEESA-N 462.424 4.619 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C1=O 59138105 UHDMFCZAIFGIFU-FOWTUZBSSA-N 458.312 4.848 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 225859592 PETRACGXZJJYIM-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc21 409207099 OZEDBFRSUOFRJZ-YBFXNURJSA-N 452.352 4.765 10 40 JJCB O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409327082 HQIZQENICAXCOC-NVNXTCNLSA-N 484.780 4.972 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1C 1106805 HRWJNNNUHJJZEP-BOPFTXTBSA-N 498.919 4.665 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 10232788 DBLDZGGKSJHESJ-QRRJMBGHSA-N 451.525 4.982 10 40 JJCB Cc1ccc(Cn2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 12634567 IDVZJLHNGYSTQB-UHFFFAOYSA-N 486.641 4.570 10 40 JJCB CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 18150414 QFELIISPLYKRKY-UHFFFAOYSA-N 464.488 4.555 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(F)c1 33654985 QXAFSNWRHVBVIU-HAHDFKILSA-N 458.489 4.603 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCc1ccc(C(=O)O)o1 33659265 OTALREBJRXWXCL-MTJSOVHGSA-N 464.499 4.956 10 40 JJCB O=C1C[C@@H](c2ccc(-c3ccccc3)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221632 XWAJUVPTJCIRJL-HNNXBMFYSA-N 498.443 4.983 10 40 JJCB biogenic COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223688665 OJUXRKMNRDVMLA-GOTSBHOMSA-N 469.010 4.678 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)C2)cc1 260899521 LPOSOVFHLSRXHB-UPVQGACJSA-N 483.678 4.509 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Cc2ccccc2Cl)c1 408873541 VSKYOZSRHWDIFQ-FYJGNVAPSA-N 491.887 4.514 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1 409245012 MCGRQDBKFHJXMN-KGENOOAVSA-N 474.538 4.688 10 40 JJCB Cc1csc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)n1 1565524307 FOXMOWUZPOLDCU-XMMPIXPASA-N 471.586 4.582 10 40 JJCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 1277119 UJFWABHDALUNDF-ODLFYWEKSA-N 477.991 4.692 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccc1[N+](=O)[O-] 9030122 ZQZWPEXKMQEKHD-LFIBNONCSA-N 492.376 4.587 10 40 JJCB CCCCOc1ccccc1/C=C1\SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 9209599 XCOOEORHBVWEGY-XLNRJJMWSA-N 466.563 4.566 10 40 JJCB Cc1ccc(NC(=S)NNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 9631557 DKTSUQNJRHFOED-UHFFFAOYSA-N 485.591 4.634 10 40 JJCB CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025223 SAYTXHRBANOVEX-SANMLTNESA-N 488.588 4.751 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1-c1cc(Cl)cc(Cl)c1 13041084 HVUJOJBNTWRWOC-UHFFFAOYSA-N 461.345 4.845 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 20037502 ASHSMXWURXMWEJ-VTEYKYBYSA-N 463.515 4.560 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OC(=O)c1ccco1 20154682 UTIVEZIBHWBMIY-BTHBKKPGSA-N 484.559 4.616 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408960499 MLNPOGINKYAMOE-FOWTUZBSSA-N 460.386 4.733 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 409227618 QWEYELIFVNLJME-DEDYPNTBSA-N 463.921 4.731 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1C 2156222 MWWOKYIQQASZQE-CPNJWEJPSA-N 480.387 4.688 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1OC 8819378 HUDSNVMZTPUMJB-FMQZQXMHSA-N 483.398 4.851 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1 408789983 PIYMCJNHWADIOH-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1 409217866 XTAAMTFEKRDUIV-YBEGLDIGSA-N 464.366 4.829 10 40 JJCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409230895 HDFCHDOGFUSRRD-MFKUBSTISA-N 472.504 4.904 10 40 JJCB COc1ccc(N2CCN(c3ccc(-c4nc(-c5ccccc5C)no4)cc3[N+](=O)[O-])CC2)cc1 8587102 JZZAJAZCULODDL-UHFFFAOYSA-N 471.517 4.955 10 40 JJCB Cc1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1C 9076135 UZMNVPNLAOXOMX-XYGWBWBKSA-N 497.551 4.982 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c(OC)c1 9290608 ZHIYYRUDLLKBBV-CAPQHAMJSA-N 465.579 4.777 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(COc4cccc5c4OC(C)(C)C5)cc3)CC2)cc1 9573767 OSMQWSZBVPJEAZ-UHFFFAOYSA-N 472.585 4.950 10 40 JJCB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cc2c(O)ccc3cc(Br)ccc23)C1 12869223 ANVNWXBPHBPWIS-MRXNPFEDSA-N 466.422 4.559 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C(=O)N(c2ccccc2)C1=S 13282822 ZOCSGMRVDGZJRJ-JCMHNJIXSA-N 458.587 4.751 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406657 FVRWCQHYCCBDLK-AQTBWJFISA-N 457.910 4.633 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C(=O)O)o1 33684668 LPUSWFVPIHJAMH-NDENLUEZSA-N 450.472 4.648 10 40 JJCB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)Nc1nccs1 44086352 SQAFFXDIMGWRGQ-UHFFFAOYSA-N 451.533 4.694 10 40 JJCB CCN(Cc1ccccc1)c1ccc(/C=c2/sc3nc(-c4ccc([N+](=O)[O-])cc4)cn3c2=O)cc1 89969289 UYCHCOUESMCNAH-PCLIKHOPSA-N 482.565 4.905 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222815953 UDBWDFGVNKXQPX-IZZNHLLZSA-N 475.662 4.707 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835615 XECRWAUAXUYUIO-DHIUTWEWSA-N 465.579 4.787 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cc(Cl)ccc1O 223218485 LIFMPUICTVVHAM-BJKOFHAPSA-N 484.069 4.772 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225509350 OTMYMEBBDBJMSG-KAYWLYCHSA-N 496.640 4.804 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C(=O)NC1=S 409173336 PCMFLHKRDSYZSE-KGENOOAVSA-N 473.598 4.859 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)NC1=S 409174470 UJXMOKFCRKNVTH-XSFVSMFZSA-N 459.571 4.551 10 40 JJCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2700697 IVNZKITXBSOBQB-OVCORXIESA-N 466.496 4.882 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 3864860 OEADTOPDPMWFTP-CYVLTUHYSA-N 454.573 4.785 10 40 JJCB Cc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 8916655 IEUVGZHICIDPOM-QJOMJCCJSA-N 465.509 4.695 10 40 JJCB biogenic Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 10113124 TXRRDQWGALLVHK-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 10232849 MIHVRSCYJLGIPN-CBXNMNPBSA-N 496.522 4.891 10 40 JJCB COc1cc(C(=O)O)ccc1OCC(=O)c1cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1C 12561284 YMGIZHBPSFITOR-UHFFFAOYSA-N 463.408 4.961 10 40 JJCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 16185198 JTCZUCKCFUGTGY-NDENLUEZSA-N 457.368 4.938 10 40 JJCB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 32124741 RSMPFDPWFBTIHF-CXUHLZMHSA-N 452.966 4.738 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c(C)c1 34760800 CHVQDYFSSQRVQP-JYHUHERQSA-N 454.559 4.773 10 40 JJCB O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(NC(=O)c2cccs2)cc1 58106836 SFBHQUPRNAVQLG-UHFFFAOYSA-N 460.603 4.785 10 40 JJCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OCc1ccccc1 58865932 ZVCLYSIBMZBKFN-UHFFFAOYSA-N 473.319 4.790 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1 100438452 YGHVOHCIIRCSPE-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C2=O)c1 208693799 ZQFOTBCMVGKXGB-PDGQHHTCSA-N 465.303 4.992 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1C 408787092 RBKZQDIWSXMEIQ-SFQUDFHCSA-N 458.499 4.590 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl 408875578 KETUDEOXHNPTOO-DEDYPNTBSA-N 461.861 4.505 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1 409240409 KNLYUBKGAQORNL-HAHDFKILSA-N 485.540 4.669 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)cc3Br)SC2=S)cc1 409329618 GJIWIVNJFWYLRW-LZYBPNLTSA-N 452.351 4.578 10 40 JJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ncc(Br)cc1Br 8440243 SNHZQRYPEYWBBZ-NTEUORMPSA-N 450.134 4.634 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)c1 8819194 HPVQAAMNIDQAML-PGMHBOJBSA-N 452.601 4.656 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1 9070362 VVSXDVYBGCAUTL-FEGZGKEQSA-N 473.558 4.758 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 15013152 DXXVEKVHJJNPEX-BOPFTXTBSA-N 471.307 4.680 10 40 JJCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)N1CCN(C)CC1)c(O)c1ccccc12 22461331 IZVXKEPDLYIIJT-XMMPIXPASA-N 459.546 4.509 10 40 JJCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 33586442 HOFCRNYZDPMVGX-UDWIEESQSA-N 452.869 4.528 10 40 JJCB CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OC 59861244 RVEFKOXFUBYJAR-OQLLNIDSSA-N 473.323 4.980 10 40 JJCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C\NCCC(c1ccccc1)c1ccccc1 101084399 KUIYBVKIRXGJMS-QQTULTPQSA-N 473.642 4.816 10 40 JJCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1O 101099682 SWQASVHFACEOHY-URVUXULASA-N 485.323 4.759 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C 223010082 QOKKFRDKDJUDJU-FCHUYYIVSA-N 485.451 4.871 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccc(C)c(C)c2)c1 408805920 IHMSOGIKBHIFLG-ZVHZXABRSA-N 470.525 4.866 10 40 JJCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 409058106 RGFUMCOKWUUKMB-ONNFQVAWSA-N 460.100 4.975 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1c(F)cccc1Cl 409148039 XUSKJLCDGYNSGO-ODLFYWEKSA-N 450.894 4.691 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1 409342475 DJURFWVYUUADSA-UDWIEESQSA-N 495.538 4.718 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC 409358572 MBCQKNJKPFFYBX-DEDYPNTBSA-N 457.573 4.741 10 40 JJCB CCCN(CCC)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(C(=O)OCC)C4)N2)cc1 4091835 KRLDSBOXGPDYDK-OAQYLSRUSA-N 456.612 4.743 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1 9309763 CFLRRMGSEQBVQS-MBTIHVDPSA-N 469.570 4.965 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 9907599 TXYSPMMLYFXWEO-ATVHPVEESA-N 497.916 4.738 10 40 JJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 30952384 CRHIVURVEAYIJO-QLSUFNALSA-N 486.509 4.651 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59136173 OUEDJWAMPYVAKP-GZTJUZNOSA-N 494.504 4.822 10 40 JJCB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408757870 RAPIGRXZOJIPJR-HMAPJEAMSA-N 470.916 4.962 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccccc2Cl)c1 408885863 GCEQKQRHNYVFQA-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB Cc1nc(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)O)n[nH]1 409190583 ZUWRXJVNQFMOQZ-IUXPMGMMSA-N 494.358 4.651 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 19877624 HEYFDNQWMDTPNM-NDENLUEZSA-N 453.926 4.718 10 40 JJCB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 27533814 FRXPNSNSQBFGNH-QGUUBAPPSA-N 493.545 4.636 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 408577636 UCHAPWITKZTIMX-NDENLUEZSA-N 474.579 4.852 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1 408876455 OXHLDWNSNQBYLS-FYJGNVAPSA-N 464.880 4.745 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)C2=O)cc1 408899936 QMDWMFCJZQUWTA-JWGURIENSA-N 474.488 4.860 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 408937240 NMWLJWGRDYPCNA-NDENLUEZSA-N 450.853 4.725 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 409245575 WAFFGEQKTKHFNB-CPNJWEJPSA-N 465.962 4.587 10 40 JJCB Cn1c(=O)cc2c3c(c(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc31)C(=O)c1ccccc1-2 8833765 FHYYKJUFTSZOJC-UHFFFAOYSA-N 472.566 4.848 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9632046 POQGRYXLRISQLJ-VWLOTQADSA-N 481.474 4.689 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1 10112126 FTOJKWISZGEXCH-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C)c1 33661323 AOFFKQRSUCPYNP-NDENLUEZSA-N 493.357 4.807 10 40 JJCB O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1 59489926 TVTUAZBJUZZSAD-MUUNZHRXSA-N 472.589 4.838 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(Br)c1O 59861583 NRULIUQAIROKII-RIYZIHGNSA-N 459.296 4.677 10 40 JJCB COc1ccc(/N=N/[C@H]2C(=O)N(c3ccc(Oc4ccccc4)c(S(=O)(=O)O)c3)N=C2C)cc1 102151915 VGSFQCFEPACHJI-GJQPQMNHSA-N 480.502 4.609 10 40 JJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 103918479 LTVSXIMSSPEGBD-JLPGSUDCSA-N 461.522 4.694 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 106765272 RFXFVVKOBXKNDH-UNOMPAQXSA-N 488.407 4.515 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 223406045 KFICLHDPEGKGDL-UHFFFAOYSA-N 486.037 4.698 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408694836 NALGZPATCSSZKC-HZHRSRAPSA-N 458.489 4.962 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1[N+](=O)[O-] 409145595 QKCKHLRVTIOGOA-LDADJPATSA-N 461.499 4.611 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 409245227 PIJRINUXQUYNGO-OEAKJJBVSA-N 487.581 4.747 10 40 JJCB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc2c1 879569 SLVARDVHANGRCJ-UHFFFAOYSA-N 465.550 4.736 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=O)N(C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2=O)cc1 1209175 JZADFPFBJZYURE-RASHHNMQSA-N 471.582 4.958 10 40 JJCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2375336 CLCKAGPWDOLDGI-HKWRFOASSA-N 478.643 4.659 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(=O)O 8820000 JLLKTZLHSILWCA-MOSHPQCFSA-N 498.582 4.514 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 16488281 SULPCNFTPSIBLM-SFQUDFHCSA-N 469.375 4.867 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1 33771856 PYTDTOVCLALUKT-ZKNSXIRRSA-N 469.570 4.965 10 40 JJCB Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(C(=O)c3ccoc3)CC2)c1O 40149129 HPGKMJBJEZHPCZ-UHFFFAOYSA-N 469.541 4.657 10 40 JJCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 100415197 KQGICYUEUPZPEJ-HKBOAZHASA-N 492.314 4.689 10 40 JJCB CCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 108262090 XEVDFYLBJHWOHB-CPNJWEJPSA-N 486.952 4.983 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1Cl 408786139 MUSUBHHZHZNZJR-CIAFOILYSA-N 491.931 4.509 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 409017178 XJGJEXKRPGPUCT-YZSQISJMSA-N 499.615 4.780 10 40 JJCB COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 1239493 LNYZAVBNNCEFGB-ATVHPVEESA-N 477.405 4.688 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O 1416615 ILYPKYRVMFKRTH-UBKPWBPPSA-N 480.361 4.688 10 40 JJCB Cc1cc(I)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 15947786 FKIJYTAQWCFXFX-BCTVWOGZSA-N 454.333 4.920 10 40 JJCB COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 33292949 QKYOFIMTXFBVMK-UHFFFAOYSA-N 484.025 4.504 10 40 JJCB Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(Br)cc1 33352794 HVDHKGCWRKMQFU-ODLFYWEKSA-N 468.307 4.952 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Br 223268550 LAZCNQOUNRBHJL-GOTSBHOMSA-N 498.494 4.786 10 40 JJCB Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)S(C)(=O)=O)c1 225360880 ZJWZJRFVJJYVEU-UHFFFAOYSA-N 491.657 4.800 10 40 JJCB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956468 DGQCNURIRXBNFP-INIZCTEOSA-N 478.588 4.819 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408813746 YKOAVYOFSJOJSX-CPNJWEJPSA-N 491.887 4.802 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC 409362800 SRGGCXVAIGOWND-DEDYPNTBSA-N 457.573 4.741 10 40 JJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1 2389203 JPCHMNOAZGXBQW-PGMHBOJBSA-N 471.557 4.610 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 9460974 DMOVWSSLEZYKAN-CYVLTUHYSA-N 488.679 4.621 10 40 JJCB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2c(O)ccc3ccccc23)n2c1nc1ccccc12 20675462 JAHDVNKASWTDBU-RPWUZVMVSA-N 457.530 4.811 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)cc1 32109452 MJPPAGVNAUGARM-RBRHTRMMSA-N 462.531 4.933 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 95276477 GYQJCADMBAXLMJ-PGMHBOJBSA-N 476.558 4.523 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225509417 OTMYMEBBDBJMSG-RRPNLBNLSA-N 496.640 4.804 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 225733288 CKELZOJTVFDDDT-QZTJIDSGSA-N 473.664 4.749 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 408869317 BSNAPHMPFFADBQ-KOEQRZSOSA-N 482.536 4.737 10 40 JJCB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1Br 409332799 RWAKNDBQOGXHEL-PXNMLYILSA-N 482.352 4.546 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC 409343947 JIHLWSMNLUBOAN-STZFKDTASA-N 487.599 4.832 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1 9264828 AFEFOSUAKFRJCB-MFKUBSTISA-N 496.542 4.977 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 33716586 OXNRZKSRYHQGGM-RFNDTBEZSA-N 460.950 4.810 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1C 59135337 RCGULNALFMNGBS-FYJGNVAPSA-N 475.476 4.835 10 40 JJCB CC(C)Oc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96222039 ZMMYRUOHCMTUBJ-MRXNPFEDSA-N 490.464 4.511 10 40 JJCB biogenic CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224920 TVGVSWYXVLUCEU-UIOOFZCWSA-N 461.679 4.976 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(O)cc1 223498182 KOGWYIIICGJJTA-JWQCQUIFSA-N 455.587 4.762 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccc(C)cc2)c1 408801761 BLUDGQLTQDJROB-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)NC2=S)cc1 409008772 GTKMKDUDSKLPHC-UDWIEESQSA-N 495.988 4.596 10 40 JJCB O=C(O)c1cccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 409101154 AEQDJBIPAGWXOS-UHFFFAOYSA-N 477.476 4.759 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c([N+](=O)[O-])cc1OCCC(C)C 1085306 CBTFWSDQRPHMLQ-GZTJUZNOSA-N 453.451 4.535 10 40 JJCB Cc1cc(I)cnc1NCc1cc(Br)cc(Br)c1O 8888442 LTPSGCPGNBGPRG-UHFFFAOYSA-N 497.956 4.837 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 9245428 VXYHXWUQKDFZEA-LMMXRSGHSA-N 480.550 4.676 10 40 JJCB CC1CCN(C(=O)C2=CN(c3cccc(OC(F)(F)F)c3)c3ccccc3S2(=O)=O)CC1 49003820 INOJPDKKEHHWJT-UHFFFAOYSA-N 466.481 4.611 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223694837 MCLKULUHUGTKES-AZGAKELHSA-N 476.646 4.896 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 225716990 ZXALRZHAJSQUGX-MSOLQXFVSA-N 473.664 4.920 10 40 JJCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Cl)c(Cl)c2)C1=O 408532321 QGKANUKNEPIOHY-UKTHLTGXSA-N 483.149 4.897 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)OC(C)C 408600903 GVUBONCQLMSSEY-UDWIEESQSA-N 457.573 4.740 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C(=O)NC1=S 408744448 ZXRYGBLXOFSRNA-NTUHNPAUSA-N 470.175 4.896 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc1 408808839 GFEYSLCPOMKKFM-WOJGMQOQSA-N 472.925 4.591 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c(C)c1 408852605 LUHPGXBLDKQGBA-CPNJWEJPSA-N 480.387 4.688 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1cccc(F)c1 408873428 RAZAZNFDXDMIEV-ZHZULCJRSA-N 462.452 4.621 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C 409168303 PUDFZNJTLJVMRP-RCCKNPSSSA-N 473.598 4.805 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCC 409223508 ZTTRPYQJXPKXMS-MHWRWJLKSA-N 458.967 4.586 10 40 JJCB COC(=O)c1c(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CC[C@@H](C)C2 2889885 GARWZEOFRNWCJZ-FZKQIMNGSA-N 463.559 4.574 10 40 JJCB N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 9553881 LIYWGROEKWCGPQ-ONVPTEKUSA-N 462.512 4.568 10 40 JJCB Cc1cc(CN[C@H](C)c2cc3ccccc3o2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9671477 KYUPZWNVHRWHGN-HXUWFJFHSA-N 493.629 4.712 10 40 JJCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 12428630 MNEKPNYNUBVLFI-YBEGLDIGSA-N 487.693 4.522 10 40 JJCB COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 35146342 UCEJGDSPTAOGBQ-RCCKNPSSSA-N 465.600 4.786 10 40 JJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 59139744 UXKDABRMUFQZLD-UHFFFAOYSA-N 479.385 4.570 10 40 JJCB COc1ccc(NC[C@@H](O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1 101355786 GTDZTLWJHAUDHU-UJBXUPAJSA-N 480.568 4.929 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223689059 SNVPVYHJLNMXBI-GOTSBHOMSA-N 469.010 4.678 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 408577702 UKRNTHIGZYDQIH-NDENLUEZSA-N 456.589 4.631 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 408741439 LYXIWLNYTQGZQI-MTJSOVHGSA-N 494.414 4.996 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccccc2)c1 408809284 RGJFCSGHYVEGGP-HYARGMPZSA-N 456.498 4.557 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C2=O)cc1 408985713 XYFWJHQGSICJHI-NDENLUEZSA-N 492.919 4.885 10 40 JJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 8921400 JQYFJKIZPOJAPT-OAHLLOKOSA-N 486.775 4.813 10 40 JJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9111493 AUUDDWVZDAEEDM-XQNSMLJCSA-N 471.557 4.610 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)S1 32111760 CASPRWQRDBHTRV-RQZCQDPDSA-N 465.756 4.788 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@@H]23)cc1 169687545 HBOZCCLXYMBKFN-DNVJHFABSA-N 485.923 4.652 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1F 223225125 JATQTSBZUHORLA-BJKOFHAPSA-N 451.615 4.552 10 40 JJCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(Br)cc2)SC1=S 256055533 KAJPAZRQYHRJJV-GFWHJHDHSA-N 491.432 4.737 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409057962 NGLYUTWNNMVNGE-HAHDFKILSA-N 488.515 4.897 10 40 JJCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 9884805 ZCQMNKWUGCZPDG-ZBQKXELDSA-N 486.354 4.773 10 40 JJCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1O 12467419 UYXUJJCMKRKXPU-CLCOLTQESA-N 455.583 4.770 10 40 JJCB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)Cn1ncc2ccccc2c1=O 40145559 DGQWMKLRYHRGOQ-QFIPXVFZSA-N 480.490 4.708 10 40 JJCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 58865695 ZSZKFYGLUARZLB-UHFFFAOYSA-N 467.474 4.716 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 223308652 SWWDKCDYQCXNKX-TUACAJSNSA-N 450.583 4.780 10 40 JJCB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC 408538950 RXYUTAUNRPUGCJ-ZHZULCJRSA-N 481.505 4.619 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O 408857098 KWDKMTATRGPKMM-FSJBWODESA-N 486.568 4.925 10 40 JJCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 409130031 SZCZJLJZJFNMLX-STZFKDTASA-N 450.585 4.648 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 409245436 SWTGYKIGNGVQHF-VGOFMYFVSA-N 458.699 4.559 10 40 JJCB COc1cc(Nc2nc(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc23)cc(OC)c1 2949056 OLLUUBHGYLRMEX-UHFFFAOYSA-N 463.515 4.777 10 40 JJCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 8964749 ONIYFPDUNXFTST-YIPGRGJBSA-N 498.966 4.911 10 40 JJCB biogenic Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1Cc1ccccc1 9498286 RRIYQQBZNVMVIK-JFDFMHGASA-N 457.534 4.960 10 40 JJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 33680847 MRDKAHSGUDEYLL-MOSHPQCFSA-N 459.498 4.743 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(Br)cc1O 36613150 WWEDRSXLKKKLGX-YVLHZVERSA-N 450.379 4.607 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 408800068 KBMOEDCWRPEPRS-MHWRWJLKSA-N 463.317 4.847 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 408804798 ZLCALGBZZMFVQF-UDWIEESQSA-N 491.887 4.802 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)c1 408943856 ZGGHROZTEOIHFG-XKZIYDEJSA-N 461.543 4.783 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409059156 UNJIXVJXVCVWPR-YBFXNURJSA-N 483.307 4.944 10 40 JJCB CCOc1cc(OCC)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Br 409079191 KJYQQZWHSVBRKE-ZLYHGVDXSA-N 472.426 4.627 10 40 JJCB Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409130321 HGKOHAQHOVATCK-JCMHNJIXSA-N 487.585 4.865 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)cc1OC 8763489 FXHNNXKACAKLMD-NKFKGCMQSA-N 498.670 4.824 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1cccc(Cl)c1 8779809 KMFHIYGFDRWIBF-HSZRJFAPSA-N 474.948 4.575 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCc1ccccc1 15013427 VFIZSVKOCVMIJX-STZFKDTASA-N 472.566 4.722 10 40 JJCB O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)nc2-c2ccc(OC[C@H]3CO3)cc2)cc1 16429358 NGIPFJWRIGNBDR-ZFZZVZNFSA-N 467.507 4.748 10 40 JJCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(N)=O)cc1 100524930 ITKBGABXCFAZPH-QDVZYSMTSA-N 483.351 4.547 10 40 JJCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)cc2Cl)cc1 103563429 LOBGMZACVANQQZ-RQUXIJKASA-N 469.950 4.973 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 103920016 IARUHKRNOANUOH-ODLFYWEKSA-N 458.902 4.741 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)cc1 108504308 VYFPVLLDAYUNLQ-DPLHUUCSSA-N 491.525 4.920 10 40 JJCB COc1ccc(N2CCN(C(=O)Cc3ccc(-c4csc(-c5ccncc5)n4)cc3)CC2)cc1 225340117 CFNDMPBAUYQCCA-UHFFFAOYSA-N 470.598 4.772 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(C)nn(-c3cccc4ccccc34)c2C)C1=O 408758068 UVQMGDXPSCHANY-PXLXIMEGSA-N 450.498 4.617 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 408892850 DGFCVHGIZCGSKQ-MOSHPQCFSA-N 478.957 4.759 10 40 JJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)c(C)c1 409253101 AQGWYEFWAHTFBI-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br 409335067 YSQSUEMYSDFEFI-ATVHPVEESA-N 477.405 4.784 10 40 JJCB Cc1ccc2c(c1)c(/C=C1/C(=O)NC(=O)N(Cc3ccccc3)C1=O)c(C)n2CCOc1ccccc1 9246814 AIGVUKTZZJGKNP-ITYLOYPMSA-N 493.563 4.999 10 40 JJCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCC2)cc(OC)c1OC 85878527 SSFBJOCLVQWOFR-UHFFFAOYSA-N 491.500 4.843 10 40 JJCB biogenic COc1ccccc1NCCN[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101374497 KGRFEAXBEMMEHP-QTTQQJLPSA-N 461.522 4.594 10 40 JJCB Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc(C(C)C)cc1 103126001 VVMPQDHLRDCXML-ZRZAMGCNSA-N 478.589 4.509 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(=O)O 223347943 BJPXPDGJFGFWEO-RPWUZVMVSA-N 472.570 4.953 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 225481329 HBLLLVFSFNGESC-FGZHOGPDSA-N 483.678 4.509 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCC1 408789945 OUOKVPOZRUFSDN-YBFXNURJSA-N 472.408 4.814 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 409108227 SNARPBMXRBDDLL-RCCKNPSSSA-N 453.564 4.607 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1 409186429 BXNXPVZEDVPDDV-HZHRSRAPSA-N 457.530 4.776 10 40 JJCB COc1ccc2[nH]cc(CCn3c4c(c5ccc(OC)c(OC)c5c3=O)C(=O)c3ccccc3-4)c2c1 524730877 AMLGPZXZHMJVIY-UHFFFAOYSA-N 480.520 4.963 10 40 JJCB biogenic O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(O)cc1 2454594 WUKZNSNBLCYGNQ-ATVHPVEESA-N 477.405 4.775 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1 9293518 OESBMBLEMMIUGU-VXWJBAAHSA-N 485.569 4.801 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 225524303 URNJSNJHKDHWKG-SXOMAYOGSA-N 496.640 4.885 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 408874654 DPLYHSVMKARJQR-MOSHPQCFSA-N 466.921 4.889 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C(=O)NC1=S 409104827 IPWLGFCDBMEYNP-XDHOZWIPSA-N 493.972 4.585 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S)c1ccccc1 409171928 DUYYWFQJZCPDMQ-MHWRWJLKSA-N 486.937 4.608 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)N1CCCC1 409358191 KRCARAVAQMWWIE-KGENOOAVSA-N 486.590 4.631 10 40 JJCB CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)s1 8820642 IJJTYIAHVSFALL-YUTYINLDSA-N 458.634 4.667 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1 15009042 LJUKBIVLFSPBDG-HZHRSRAPSA-N 455.514 4.827 10 40 JJCB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(/C=C4/SC(=S)N(C)C4=O)o3)cc2)cc1 15012158 CFBZMYJZLXPBGY-FYJGNVAPSA-N 492.578 4.882 10 40 JJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1 32109995 XZYAKFXTEBYSDC-WOJGMQOQSA-N 475.364 4.533 10 40 JJCB COc1ccc(N2CCCN(Cn3nc(-c4cc(C)ccc4C)c4ccccc4c3=O)CC2)cc1 48340493 JRQNZQXHXDAHTG-UHFFFAOYSA-N 468.601 4.859 10 40 JJCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1O)[C@H](c1ccccc1)[C@]2(O)C(=O)O 72333455 UKSDVVVBOFVOSY-LLGBQNBKSA-N 473.504 4.638 10 40 JJCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1O)[C@H](c1ccccc1)[C@@]2(O)C(=O)O 106938057 UKSDVVVBOFVOSY-CAKYRVLISA-N 473.504 4.638 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)C2)cc1 260905794 SHGBRNYTUXQEAZ-GPXNEJASSA-N 483.678 4.509 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 408893431 AMMVXOUCGXEWSY-KQWNVCNZSA-N 486.524 4.729 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cc(C)cc(C)c1 408896571 SAYGZMNFFXWXLP-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB CCCOc1c(Br)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC 408943327 RTLMSPNROXOIGC-GZTJUZNOSA-N 457.324 4.688 10 40 JJCB O=C(O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 409343030 CHBQKMKLBOIQAW-VIZOYTHASA-N 484.780 4.972 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C)cc1 2287026 WBAPYCLBGWDQQP-LANLRWRYSA-N 469.584 4.603 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(C)c2C)cc1 10113586 NTXSQDPOUZBWCQ-UHFFFAOYSA-N 491.657 4.724 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 34792586 OCCPHNJDUKZSOB-PZBQCAARSA-N 461.469 4.674 10 40 JJCB COc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 89930430 ODOBBXQGCJVJLU-VWLOTQADSA-N 452.514 4.951 10 40 JJCB Cc1c(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc2n1C 110422483 PDIJUQJKTDDKLL-FBHDLOMBSA-N 465.644 4.936 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257247974 JBLNEYRKLKJTLV-NRFANRHFSA-N 459.590 4.565 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)ccc1Br 408759497 GANRWOCOEBMPGW-UDWIEESQSA-N 494.345 4.537 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OC(C)C 408896647 GVBJAEDKYVCNTK-LICLKQGHSA-N 487.350 4.610 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)NC2=S)cc1 409011802 HTUQGQUUXSOUNF-HYARGMPZSA-N 459.571 4.551 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)NC1=S 409169742 ZAMHGYLGDWSMFY-FOWTUZBSSA-N 466.603 4.827 10 40 JJCB O=C(NN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S)c1cccs1 409377299 FXTHETOBSDHBGZ-PQMHYQBVSA-N 483.379 4.708 10 40 JJCB Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1C 17052527 QSDFIOIWNSUBES-MUUNZHRXSA-N 474.624 4.802 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1 17920555 DXERLRJBQQZITH-CYPXAJCBSA-N 450.520 4.789 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@H](C)CC 38206533 KNEZPCRKGVWUFY-XWCAUFEOSA-N 486.615 4.817 10 40 JJCB COC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C2C(F)(F)F)cc1 100281596 UQUNWYNORYLNHO-XNTDXEJSSA-N 473.329 4.633 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(Cc2cccc(F)c2)c1 408870030 UYRBVBRTBAZWMW-XSFVSMFZSA-N 464.880 4.745 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccc(F)cc1 8984107 PNQQWBFSLHIBBZ-LECIVKJOSA-N 452.511 4.833 10 40 JJCB CN(C)c1ccc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 9307374 MIEFOAFAXHTLDI-ZHZULCJRSA-N 460.525 4.564 10 40 JJCB Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025169 GZIDVSMUIWQVAM-MHZLTWQESA-N 487.600 4.872 10 40 JJCB CN(C)c1ccc(/C=C2\S[C@@]3(NC2=O)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 14904581 ZCZGDDQZCRRDHJ-VPUFSTLRSA-N 468.582 4.812 10 40 JJCB CC1=CN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1 41083705 ZKQKSMHLVKZZKN-WMIGAGKJSA-N 486.322 4.974 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223693104 USZDVRDSODXGIH-AHWVRZQESA-N 476.646 4.950 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225509597 QTIBHDOQOKCKJR-UIOOFZCWSA-N 496.640 4.804 10 40 JJCB C[C@@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951574 GZPYXRNBZJIYOB-HXUWFJFHSA-N 479.698 4.542 10 40 JJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 408756030 GXEXIHHDGIMTHD-DEDYPNTBSA-N 497.340 4.812 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409236048 RIIHYHNOHRCNDF-WGOQTCKBSA-N 493.567 4.736 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409245548 VQDOACIJYSZJKC-JCMHNJIXSA-N 455.514 4.660 10 40 JJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 409256268 KPDOZAMRCRQZFC-HAHDFKILSA-N 497.551 4.604 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)nc4ccccc34)c2C)cc1 13141903 ZWZXBWNNAPFKNG-UHFFFAOYSA-N 456.498 4.777 10 40 JJCB COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35104503 BTBUKFXZXNSNSU-UNOMPAQXSA-N 483.307 4.683 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccccc1I 101114408 XFTXCCCWFXNVFF-GXDHUFHOSA-N 482.119 4.772 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 108145798 CRCJCWDTTCAHEZ-PXLXIMEGSA-N 472.566 4.668 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 223636911 XPSSVLJDZFARMF-UHFFFAOYSA-N 465.619 4.880 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223722684 YCNOJBBGEGLFFK-BJKOFHAPSA-N 466.582 4.554 10 40 JJCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224172156 WJPYTVRXIYXJKS-NRFANRHFSA-N 486.465 4.701 10 40 JJCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 224469819 KIHUZKDOXKGIDM-UHFFFAOYSA-N 489.707 4.749 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 408572616 HKEQQYVGRLWBOU-MTJSOVHGSA-N 486.615 4.721 10 40 JJCB COC(=O)Cn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21 408779227 CBSGKPVLSNJXLN-UHFFFAOYSA-N 495.560 4.563 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408797963 DDELWJNWOUCNQF-LDADJPATSA-N 457.324 4.521 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4CC)C3=O)c2C)cc1 409186895 JEUSISAVNDZVRY-XQNSMLJCSA-N 473.598 4.887 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409371020 CNPNIUXHICILAC-VXLYETTFSA-N 471.296 4.827 10 40 JJCB COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 884212 GSIPZYYXMCTQCE-UHFFFAOYSA-N 461.587 4.823 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2Br)C1=O 8819310 XQLBFFXHAURGBU-ATVHPVEESA-N 477.405 4.688 10 40 JJCB COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 8964934 BMMKMPWNYNLITI-QKDODKLFSA-N 479.532 4.726 10 40 JJCB biogenic COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 16694901 MIHVRSCYJLGIPN-QDDTUJKSSA-N 496.522 4.891 10 40 JJCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 59186513 NICXDZAKNRPQEX-FRKPEAEDSA-N 498.365 4.507 10 40 JJCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1O)[C@@H](c1ccccc1)[C@]2(O)C(=O)O 72333457 UKSDVVVBOFVOSY-GYZWWNDVSA-N 473.504 4.638 10 40 JJCB O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115030 LZPZNFZWCPSHGY-ZDUSSCGKSA-N 450.830 4.671 10 40 JJCB biogenic CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223652853 GHJJOIVKHVFPCE-XZOQPEGZSA-N 469.010 4.678 10 40 JJCB CC(=O)Oc1c(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc(Cl)cc1[N+](=O)[O-] 408741908 MDZNZGHEOLNQAS-MLPAPPSSSA-N 464.655 4.917 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 408816704 UHMJOGPEBLOHHM-XNTDXEJSSA-N 463.715 4.558 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2cc(C)cc(C)c2)c1 408892835 CSFIWDQBUMSUAY-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 409099217 QXIQQUVTNNEWGB-DJKKODMXSA-N 462.955 4.744 10 40 JJCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409100620 QUFQHJZHAIZDQU-GXPOEHQZSA-N 490.581 4.866 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)N1CCCC1 409126902 GGYBMUUVNVHGPG-KQWNVCNZSA-N 475.639 4.708 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 409128233 DHSCWKYJSYPSOI-GIDUJCDVSA-N 469.744 4.631 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 409383124 RRXHWTFPXZVBMQ-UNOMPAQXSA-N 470.319 4.538 10 40 JJCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 16268310 KMOLUPPZQBJSES-AYBCGVOZSA-N 484.980 4.608 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Br)c1 223617611 VEHVDLBIEJLLFY-VXKWHMMOSA-N 485.451 4.607 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1C 223898661 UMHLDAUFKCSMEL-OFNKIYASSA-N 485.694 4.963 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)c1 408756603 HZIJLOIDRHQGKT-HZHRSRAPSA-N 450.498 4.617 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408868782 BGZPYWOEQTYABO-PCLIKHOPSA-N 484.552 4.968 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c1 408933018 GRFVBDRREDEFFP-MTJSOVHGSA-N 476.510 4.937 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 409034003 MVLASZROKXORJA-WAPJZHGLSA-N 475.167 4.679 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1O[C@H](C)CC 409338611 MXDQISDDLSPCDP-RNEAKCBISA-N 462.618 4.870 10 40 JJCB COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=S)cc1 1800054 XTHKFXOJLPYEAD-QGOAFFKASA-N 456.545 4.649 10 40 JJCB COc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 2532814 KNIBGHZTSCZQNE-UHFFFAOYSA-N 456.498 4.904 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc2ccccc12 9704914 ZTNAUYQKIKZFKM-BKUYFWCQSA-N 464.568 4.697 10 40 JJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 9884776 FNNWTXLCUPCRNR-ACRNLXFHSA-N 480.523 4.752 10 40 JJCB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113235 URVMDFIUNHQJEH-UHFFFAOYSA-N 495.620 4.712 10 40 JJCB O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1 59489927 TVTUAZBJUZZSAD-NDEPHWFRSA-N 472.589 4.838 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 226295519 BAXACJPEZSXKJZ-MHWRWJLKSA-N 488.308 4.993 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cccc(C)c1 408800442 PNGFOERTCXLVEH-CPNJWEJPSA-N 476.916 4.902 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408885038 WOTBPGUQGCLVFN-YVLHZVERSA-N 498.869 4.872 10 40 JJCB O=C1C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 1247973 HOFJDSJELVMBEM-VHPHHHTASA-N 488.512 4.795 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)CC 1416566 UHANYDNCQBXIGO-AUQXIXNCSA-N 456.589 4.809 10 40 JJCB O=S(=O)(Nc1cc(Sc2nnnn2-c2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1 8871863 LWCZLCLHDBQJEW-UHFFFAOYSA-N 493.545 4.612 10 40 JJCB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9087447 HFOPKWNWJDESPI-LTGZKZEYSA-N 455.489 4.649 10 40 JJCB COc1cc(-c2nnc(COC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc(OC)c1OC 9635470 VIOVBXQXICGBNL-UHFFFAOYSA-N 463.490 4.527 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 26963975 DQOUIKBMHUZGKO-UYRXBGFRSA-N 467.547 4.744 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)S1 32109969 WRLDHTQXGIWOFZ-RQZCQDPDSA-N 465.756 4.788 10 40 JJCB Cc1ccccc1NC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 35144986 UNVORGLWPOWXLC-ULJHMMPZSA-N 477.520 4.627 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Br 408818935 YYSMFOVYRBTSDI-LFIBNONCSA-N 457.324 4.521 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 408886902 JTAIXHBEEWAHQD-STZFKDTASA-N 474.488 4.642 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408916321 BUWFYONOXKQYPH-MKMNVTDBSA-N 499.803 4.881 10 40 JJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 409018914 WXSPSAQWXOSJEX-UCQKPKSFSA-N 470.525 4.542 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 409023552 YSBVKAPBSFLMRQ-LPYMAVHISA-N 461.562 4.935 10 40 JJCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Br)cc1 409339256 GEQVMHTVJXQDIH-QGOAFFKASA-N 461.406 4.692 10 40 JJCB O=C1N[C@@H](c2cc(Br)ccc2O)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 2493005 MMJKHLUROWMUTD-HXUWFJFHSA-N 470.392 4.629 10 40 JJCB Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 13689335 VQWMWLCQUUPPEL-HMAPJEAMSA-N 477.948 4.812 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)S1 13940695 WHDPHMBKZJZJDU-MFOYZWKCSA-N 465.756 4.788 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238568 ZETIJNYGVITOPD-WQRHYEAKSA-N 465.393 4.899 10 40 JJCB COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccccc4)cnc4ccc(F)cc34)CC2)cc1 20382169 DJKDJMPUSWGPAC-UHFFFAOYSA-N 477.561 4.542 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC 27062594 DPXMJQMFEPBHRO-MHWRWJLKSA-N 462.287 4.505 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 27549586 IZNLQOKOGJZVPL-ZPHNARBXSA-N 468.560 4.641 10 40 JJCB O=C(NC1CCN([C@@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)CC1)c1ccccc1 28742572 WEBQGGBFCAOHGM-RRTGGRSNSA-N 481.556 4.628 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccc(Cl)cc2)c1 408865956 CTTICZVSROYBSA-UNOMPAQXSA-N 480.879 4.733 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 408890583 VYWYDFOBGJNCKX-ZVHZXABRSA-N 470.525 4.866 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 409235906 CYDIVNCOYURDGF-PXLXIMEGSA-N 483.499 4.894 10 40 JJCB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(N2CCCCC2)cc1 13669113 UZOVRKXHKQHZBN-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1O 223302131 BDHKHDBHDNWPQQ-NTUVXCKYSA-N 483.037 5.000 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408778259 COMXSZBLFIBEOQ-DEDYPNTBSA-N 450.853 4.725 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408811563 VWTYFURSLUURST-LDADJPATSA-N 483.307 4.944 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 408816217 XZFHOPDBHWGIND-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C1=O 409135663 ZOXUSOOICBAPRZ-HMAPJEAMSA-N 484.578 4.675 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S)c1cccs1 409340491 YAAKZKDBQJTPMB-RIYZIHGNSA-N 492.966 4.669 10 40 JJCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C1=O 5947736 PVMORLPRKYLRSY-WOJGMQOQSA-N 452.308 4.774 10 40 JJCB Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 32701761 NEEYTFHLJWOXRT-DEDYPNTBSA-N 484.599 4.799 10 40 JJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41076263 XSEHFDHEZNLWCD-GUOILJMFSA-N 487.497 4.725 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1 59136220 ZSHWMNSSBRARSP-XDHOZWIPSA-N 491.544 5.000 10 40 JJCB CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 101481956 MNVNKWBDLWRIBB-RBZQAINGSA-N 483.495 4.644 10 40 JJCB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 225956427 HLQOWEFTQAKXLW-UHFFFAOYSA-N 478.588 4.819 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408771462 HCZKIQGTKNVRGR-JWGURIENSA-N 486.499 4.720 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 408889751 GUCJYXXZGGRBHZ-XDHOZWIPSA-N 480.879 4.733 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1 408997862 OLGNCNLFUYMDOG-GZTJUZNOSA-N 499.342 4.868 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C1=O 409222572 CALGLSYWWORICW-SFQUDFHCSA-N 484.737 4.868 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 409229867 ARNWFKOLHSTDFF-WGOQTCKBSA-N 492.535 4.735 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409242168 NESUJXMCFLZNKE-DEDYPNTBSA-N 491.931 4.509 10 40 JJCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 409338161 FBEIBYLTVCPTDG-VIZOYTHASA-N 484.780 4.972 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 8918892 XUHGCDDSIWTLRD-RSPUHVBCSA-N 478.574 4.881 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 8920715 CUDDYXXYXSGCLZ-JJIBRWJFSA-N 472.541 4.621 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S)c1ccccc1 9187015 FEXVFKWZRMJEDK-OQKWZONESA-N 476.579 4.691 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 12285292 VRPOTXVBVBHOKM-FEGZGKEQSA-N 478.574 4.799 10 40 JJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C 12445297 NSPRFPULOPZELK-PQDCBLBRSA-N 454.954 4.599 10 40 JJCB CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)c1 12547909 PSDNXNMUCYAUML-UHFFFAOYSA-N 459.369 4.539 10 40 JJCB O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)nc2-c2ccc(OC[C@@H]3CO3)cc2)cc1 16429355 NGIPFJWRIGNBDR-WWDJGNSZSA-N 467.507 4.748 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32124562 NZHQRZAAGOKGJT-LDADJPATSA-N 451.891 4.861 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1 33393346 KULSIRDMFKLEIN-UYRXBGFRSA-N 453.281 4.674 10 40 JJCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1Cl 408538967 SEAOCOHJFCMNQT-NTEUORMPSA-N 462.731 4.607 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 408878413 BDSXDQQVMAGYRY-MOSHPQCFSA-N 466.921 4.889 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1 408967143 QBHYAYWUHAGUQS-HZHRSRAPSA-N 450.498 4.617 10 40 JJCB Cc1ccc(C2=NC(=O)/C(=C/c3cc(Br)c(O)c(O)c3Br)S2)cc1 868343 MTTVIEULRKSDBO-GHXNOFRVSA-N 469.154 4.992 10 40 JJCB COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)cc1 8575653 NDDPAHJRPKJMDZ-CJLVFECKSA-N 490.585 4.831 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9296472 CFVMIJWFWKICMM-RQZCQDPDSA-N 461.477 4.525 10 40 JJCB COc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl 13785490 AXQYLURZSIUZBQ-WJDWOHSUSA-N 457.269 4.928 10 40 JJCB COc1cccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2Cl)c1 13943927 BMSXFRJZOWTTIM-CXUHLZMHSA-N 456.372 4.949 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Cl 18180793 SIFAUZJHQPCUNX-PCCBWWKXSA-N 492.314 4.689 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 59566304 URLUPILQPKYENZ-PDGQHHTCSA-N 476.356 4.926 10 40 JJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4cccc(C)c4)N=C3C)c(Br)cc21 408532601 QLAZPLVSEUUWGU-LGMDPLHJSA-N 482.382 4.632 10 40 JJCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 409202248 QSZWULXTYHPKOX-FYJGNVAPSA-N 476.510 4.882 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC 409227914 XHPYWRIORAVPJY-VGOFMYFVSA-N 484.883 4.597 10 40 JJCB CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 8819155 OIOVPXUTDGSZLM-HMMYKYKNSA-N 456.589 4.714 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914495 VIWZTECWQLWCOY-SANMLTNESA-N 481.015 4.838 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=N)N2O1 41078476 HGMNKFQNXIRLAX-ONADPJLJSA-N 451.910 4.865 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C 223651066 IHVYPIIEISDOPR-DQEYMECFSA-N 462.619 4.587 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccccc1OC 224580965 SKZQDVSUOWUITJ-UHFFFAOYSA-N 476.573 4.644 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2ccccc2)c2ccc(N3CCOCC3)c(C(=O)O)c2)cc1 408567738 RAUXXDGYZRAEOP-UHFFFAOYSA-N 487.600 4.915 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O 408901021 BNVWQLXBKCFVSQ-MHWRWJLKSA-N 494.388 4.717 10 40 JJCB CCN1C(=O)/C(=C\c2c(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 409356548 HTDVTMDXXBQBQD-SRZZPIQSSA-N 479.583 4.538 10 40 JJCB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc3c(c2)OCCO3)CO4)cc1 2118609 GOGZETGUAKYWOW-UHFFFAOYSA-N 457.482 4.905 10 40 JJCB biogenic CCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 9374474 BVXINOAOHQDTML-HOEOUTIMSA-N 484.691 4.877 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)cc1 9868047 ITPIUIGUGFMHQH-UHFFFAOYSA-N 458.587 4.631 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCN(c3ccccc3)CC2)cc1 16914604 QVZREEWJHMSBCF-SANMLTNESA-N 463.025 4.699 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1 33482594 INIHUAXXTHZCGD-HMCBYUHISA-N 473.533 4.909 10 40 JJCB N=C1/C(=C/c2cccn2-c2ccc(Cl)c(Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 41076272 BQLRDAIBCDVUNJ-IMONMXLFSA-N 458.252 4.966 10 40 JJCB CC(C)CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=O)N=C2S1 41082939 HXAFKAYPCPQLCA-AIPGXAOUSA-N 456.915 4.704 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 59435740 BYDVJXWGIOUQFS-NVNXTCNLSA-N 478.328 4.896 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1 408876622 QOFAAZPPCFZESN-JCMHNJIXSA-N 460.530 4.647 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409222895 DQUXLUZAFFHAPC-GZTJUZNOSA-N 490.412 4.824 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 409240012 NWMUSVUQXKOEPJ-LFIBNONCSA-N 467.890 4.648 10 40 JJCB Cc1cc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCCO2 3343084 DYMBYPHAAMAKGM-MDZDMXLPSA-N 474.538 4.914 10 40 JJCB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 9683508 DRIGNHOSCSATNA-UHFFFAOYSA-N 489.698 4.613 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)c(Br)cc1O 13914326 KFSKOUNMSYYATC-MKMNVTDBSA-N 455.230 4.988 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@@H](c2ccccc2)N2CCOCC2)c1O 20412159 LKAILIFSHRJTOM-JOCHJYFZSA-N 462.571 4.915 10 40 JJCB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225951611 CRFIHYVFHSGSLI-NHCUHLMSSA-N 493.725 4.646 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408807430 CVYCGCMPHRVIIX-UDWIEESQSA-N 491.887 4.802 10 40 JJCB CCOc1cc(/C=C2/SC(=S)NC2=O)c(Br)cc1OCc1ccccc1 408854410 FIJZQQGLAGKNAU-RQZCQDPDSA-N 450.379 4.916 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408968424 YTNAUXNHEZRMOZ-YBEGLDIGSA-N 485.880 4.787 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S 409237472 WXFUOEFIZKOABH-HYARGMPZSA-N 469.541 4.968 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCC(=O)O 409338562 MBSKZFRUJFYVMQ-CHHVJCJISA-N 470.355 4.871 10 40 JJCB COC(=O)c1c(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CC[C@@H](C)C2 2889882 GARWZEOFRNWCJZ-ACJLOTCBSA-N 463.559 4.574 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 13940677 AXDRJKRUCSFASN-YJFMCDHMSA-N 478.574 4.799 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(NC(C)=O)c2)cc1 17042977 JHXYFAOMDJSEPQ-FULLSBAXSA-N 463.622 5.000 10 40 JJCB biogenic COc1ccc(N2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)cc1Cl 32124908 ZQROBUSYBVDPBK-MFOYZWKCSA-N 482.992 4.747 10 40 JJCB CCCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 96193346 SXNDZQCZHSIXEG-YBEGLDIGSA-N 456.882 4.558 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)cc1 96316584 ZNXPYUDGSSNCDX-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408532207 MCPGLEQRQKFQQP-LGMDPLHJSA-N 450.930 4.631 10 40 JJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O 408774841 YFDVWPBVTCBXSP-GZTJUZNOSA-N 480.904 4.576 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 409221098 KVFXVOQRQZRWEL-GZTJUZNOSA-N 464.861 4.581 10 40 JJCB COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 8575656 ZCPVEOPOWIYIKC-CJLVFECKSA-N 476.558 4.523 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2c(c1)OCO2 8820007 KASAJEIXAHFBDK-NHDPSOOVSA-N 498.582 4.544 10 40 JJCB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9963027 HPGVUTDUBYOMPB-CQSZACIVSA-N 486.528 4.516 10 40 JJCB O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 59186154 AYGNCWMKZVKVOT-WQRHYEAKSA-N 495.504 4.856 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223694741 MCLKULUHUGTKES-AOYPEHQESA-N 476.646 4.896 10 40 JJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 260924335 UOABBPLISJGJQQ-IEZKXTBUSA-N 462.619 4.649 10 40 JJCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408537187 ZKYQZWJRODNUMX-CJLVFECKSA-N 471.557 4.742 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 408869947 RHTXKOIXNLNVKC-STZFKDTASA-N 493.382 4.859 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 8453057 MWLOVQCMCWVWOS-VZKFJVGXSA-N 478.574 4.737 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)c1 9030166 NMSMRCSWLGNCTL-ATVHPVEESA-N 477.405 4.688 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SCC)SC3=NC2=O)c1C 9309695 JBJCTNGFFZUTKO-ONNBZHDSSA-N 453.593 4.823 10 40 JJCB O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 10059835 JSKHEDTZDNOCMX-BOPFTXTBSA-N 471.347 4.902 10 40 JJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)c2ccccc2Br)c1 257228269 FTFTVMZUHOORLS-UHFFFAOYSA-N 467.772 4.629 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3c(OCC)ccc4ccc(OCC)cc34)C(=O)NC2=S)c1 408772081 KYDGPDVBNAXWII-XQNSMLJCSA-N 490.581 4.867 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 1153574 OOWSJPSYSSDHEV-KPENOIPVSA-N 477.742 4.946 10 40 JJCB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 9304597 YBZBPMHSOXNHLF-PDGQHHTCSA-N 451.573 4.713 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cccc(Br)c2)c(C)n1-c1ccc2c(c1)OCO2 13141900 MGXLMMHOTYFPLV-UHFFFAOYSA-N 456.292 4.625 10 40 JJCB CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c1O 26787036 UMFPCGHRLACHKB-UHFFFAOYSA-N 465.980 4.803 10 40 JJCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)c2ccccn2)cc1 28288219 YJDTXJGYSPGXAF-UHFFFAOYSA-N 478.346 4.864 10 40 JJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408785420 XFJLJJMWBSIIPF-LICLKQGHSA-N 487.350 4.530 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc2ccccc12 408859123 SWIASWMGBHNGRK-LPYMAVHISA-N 479.492 4.642 10 40 JJCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 409131342 IHLJVNPESFKYEE-ODGFMFMFSA-N 492.464 4.636 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc2ncccc2c1 409378085 NFMFENMKDVGCNK-HAHDFKILSA-N 474.586 4.691 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 2700771 VOZLCCPWWFCIQS-GDNBJRDFSA-N 452.351 4.775 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 3864865 KBLRHTXDIOHZOV-HKWRFOASSA-N 484.599 4.794 10 40 JJCB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 9949692 IYIWIRFLBVHCOG-UHFFFAOYSA-N 483.613 4.722 10 40 JJCB CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1 13942497 WCHHLCPMRLTQAT-BRDBGPSPSA-N 478.574 4.962 10 40 JJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(OC)c(I)c3)S2)cc1 18193728 NBGOFKBLTHXINQ-BOPFTXTBSA-N 480.327 4.781 10 40 JJCB O=C1C[C@@H](c2cccc3ccccc23)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221594 IDPGHQBBECCKOX-KRWDZBQOSA-N 482.444 4.877 10 40 JJCB biogenic CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 106739235 JNOLMUAEXPFBMS-YVLHZVERSA-N 462.325 4.660 10 40 JJCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)CC1 222928910 MUTDSDXMCGWPQX-LJQANCHMSA-N 493.620 4.625 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223559363 PADXJVUSOABOBU-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223656995 ZAMMCYSXLXGQOA-ZCYQVOJMSA-N 462.619 4.642 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 408578138 VYMQGSDCEKGCLE-MTJSOVHGSA-N 470.616 4.939 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OC 409330021 JAFNOFYYOVHIFN-YBEGLDIGSA-N 497.379 4.710 10 40 JJCB CCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O 2409523 IRZJHUKYLBBLIZ-ZHZULCJRSA-N 461.509 4.897 10 40 JJCB N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 9044916 WZZUWCLPKUCSBO-QPOPPQFHSA-N 453.449 4.871 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1[N+](=O)[O-] 96193265 QPGDYTOWQXPPPX-YBEGLDIGSA-N 456.886 4.599 10 40 JJCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1 260910026 BRNZLJKBKRSJGH-IEZKXTBUSA-N 462.619 4.649 10 40 JJCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccccc1 408537255 UUBKGYQMXGLPFA-UYRXBGFRSA-N 480.398 4.591 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2Cc2cccc(F)c2)C1=O 408876353 ORMVJOHZGNISTN-KQWNVCNZSA-N 458.489 4.654 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 409107987 UTLHQYSKUZJSPM-RGVLZGJSSA-N 495.988 4.596 10 40 JJCB CCCOc1c(I)cc(/C=C2/SC(=S)N(CC)C2=O)cc1OCC 409342275 BBRQXKSCGNWLPE-GXDHUFHOSA-N 477.389 4.700 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1nccs1 2293396 RBCCRQJSLYKDLI-RAXLEYEMSA-N 468.423 4.526 10 40 JJCB CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc12 6142773 INRXSHVLZHUNLX-UHFFFAOYSA-N 459.479 4.520 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O 9087554 YDBZXRIHCLXMNT-KWXIBIRDSA-N 494.522 4.807 10 40 JJCB CCSc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 9713689 GMSUIDJFDVKQFY-LLVKDONJSA-N 455.586 4.545 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C 223009794 SAFHGEHAXIXIHP-FCHUYYIVSA-N 485.451 4.871 10 40 JJCB COc1cc(N2N=C(C)/C(=C/Nc3nc4ccc(Br)cc4s3)C2=O)ccc1Cl 408535044 XHYSBHOABLMFQA-LCYFTJDESA-N 477.771 5.439 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 408897923 JOTJTBXTLUYSJA-PDGQHHTCSA-N 472.925 4.593 10 40 JJCB COCCN1C(=O)[C@H](Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)SC1=S 409142133 BKQMXTASXRTNHP-SFHVURJKSA-N 486.442 4.999 10 40 JJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccccc34)C2=O)cc1OC 409148866 SXKXZSFURFHACD-CJLVFECKSA-N 488.540 4.698 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(I)c3)SC2=S)cc1 409349172 USGVELXIDRICGO-MHWRWJLKSA-N 483.352 4.714 10 40 JJCB COc1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3NC(=O)c3cccc(C)c3)CC2)cc1 21362389 RMXPDRCYFKFVKV-UHFFFAOYSA-N 468.557 4.700 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 33386420 DJDYUYURLSAVHO-JLPGSUDCSA-N 464.477 4.578 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 41085055 JNCCOCQKOQNYGU-ICALIKLASA-N 489.601 4.645 10 40 JJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 59139284 AYBUTVWKBJLXCD-UHFFFAOYSA-N 479.385 4.570 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 108241648 GSSNFGREODSLJN-NDENLUEZSA-N 493.903 4.687 10 40 JJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 208445007 LUEGDUSNCOOXBO-YBFXNURJSA-N 451.979 4.803 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223693324 CYNCJZSEHHFCAR-ZEQRLZLVSA-N 483.037 4.987 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1C 408848557 RNNWRQZSFIPVHV-WSDLNYQXSA-N 472.501 4.594 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1cccc(F)c1 409088612 GJJVFJZLKZXAOM-UZQMFHLOSA-N 459.564 4.794 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409103492 BVGXQUIWUJMZJI-GXDHUFHOSA-N 472.240 4.828 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 8819592 APESCBZQAKIHEK-AQTBWJFISA-N 497.623 4.703 10 40 JJCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 9215737 JTSBVYHRDGBGKZ-CQUHBBLWSA-N 458.653 4.629 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccc2c(c1)OCO2 12534854 YWSXTOHUNDHFHJ-UHFFFAOYSA-N 473.558 4.786 10 40 JJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 260924336 UOABBPLISJGJQQ-NQHRYMMQSA-N 462.619 4.649 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(F)cc1 408804362 DXORGRDMZYJFEC-HYARGMPZSA-N 474.488 4.778 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCC(=O)O 409079768 LJDYYSOUIBZFJU-UNOMPAQXSA-N 462.889 4.647 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 409244059 WXXPFDPTFDZXQY-LDADJPATSA-N 461.499 4.611 10 40 JJCB COCCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524729829 LHNGOAAUIYMNDM-WMZHIEFXSA-N 477.045 4.872 10 40 JJCB biogenic CCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2371779 JLFXVGSQELOSEU-PIMKSVOMSA-N 484.691 4.877 10 40 JJCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)S3)CC2)cc1 9282640 LZGOWCAUAQCNQJ-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1 9425573 MYSKVOMYAORJKY-SGWASAESSA-N 485.363 4.676 10 40 JJCB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)o1 9933821 HENZCEBAFVYNGT-NVMNQCDNSA-N 487.873 4.914 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12 10214269 QGZFYLILAIXYQL-LJQANCHMSA-N 471.941 4.546 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13040931 ZMDXBQZUSHKRNC-PDGQHHTCSA-N 476.532 4.710 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 13943708 VKBZVMJWICQYPW-YJFMCDHMSA-N 478.574 4.799 10 40 JJCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 33676109 NDNUGDGAZLRKPG-GJXXPDGXSA-N 453.593 4.741 10 40 JJCB O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)c(OS(=O)(=O)c3ccccc3)cc(O)c21 85409627 XXRDXHKDDIADQR-UHFFFAOYSA-N 471.490 4.679 10 40 JJCB COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221937 JWEVBKSWKXIJFI-ZDUSSCGKSA-N 486.398 4.689 10 40 JJCB biogenic COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223518726 SJPIRODTQFUMOI-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 223722247 DPQORIIRVVLPMZ-RPWUZVMVSA-N 466.582 4.554 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCC1 408786258 NIMRNTWNDSEMFH-YBFXNURJSA-N 456.340 4.649 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 408872687 OGHJQNZXHMUPGU-WSDLNYQXSA-N 490.943 4.928 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 409065372 RPCSFDLRCANHGW-LDADJPATSA-N 488.862 4.881 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c(Br)cc1O 409327038 GXWPERYNJQHABX-PXNMLYILSA-N 452.351 4.578 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)cc1 409335940 ZUEQORADCBWVCK-ODLFYWEKSA-N 481.507 4.757 10 40 JJCB COc1ccc2c3c(n(CCn4ccc5ccccc54)c(=O)c2c1OC)-c1ccccc1C3=O 604404265 AOAAFWMGMPOWCR-UHFFFAOYSA-N 450.494 4.885 10 40 JJCB biogenic COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)o2)cc1 8493143 QHQDLOBGPLQTHB-CCHDUMJESA-N 470.510 4.709 10 40 JJCB C=CC(=O)N1c2cc(C)c(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 8951177 AFKGLDGIPPADLZ-UHFFFAOYSA-N 489.640 4.691 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1[N+](=O)[O-] 59135060 PTGJZOKJHMIBPN-RGVLZGJSSA-N 462.437 4.957 10 40 JJCB CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 103226951 IDONCIXJHONPDF-AQTBWJFISA-N 457.328 4.714 10 40 JJCB Cn1c(=O)c(C(=O)C[C@H](NCc2ccncc2)c2c(O)ccc3ccccc23)c(O)c2ccccc21 104827511 XWYVPRCJNWEOPS-QFIPXVFZSA-N 479.536 4.602 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1 408869310 BQBFCOFYUOQJLR-ATVHPVEESA-N 450.853 4.725 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 408961843 OLYYTUKDQGYJDQ-MHWRWJLKSA-N 485.279 4.926 10 40 JJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 409377816 KBDFZMWQUWVOSX-BFERYNQYSA-N 472.994 4.974 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2201738 AWMZCOHEKJZDLT-ATVHPVEESA-N 453.614 4.703 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc(OCc2ccccc2)cc1 2364176 KUSDJCNDNNIWSH-STZFKDTASA-N 464.543 4.951 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)cc1 6181682 VQDJDQFPGVNFMV-HMAPJEAMSA-N 485.540 4.669 10 40 JJCB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8765976 QANQCQPQZABLQZ-LSCVHKIXSA-N 491.476 4.735 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15990282 IDBSBQDPYUOEJN-ISJGIBHGSA-N 464.477 4.617 10 40 JJCB CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16006988 WSSYBTFYTFMGJB-GSDHBNRESA-N 479.532 4.692 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)cc1 16914500 MPEDCSYMJSFWDV-AREMUKBSSA-N 463.025 4.699 10 40 JJCB Cc1nc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n(C[C@H]2CCCO2)c1C 21569086 YMWLHMACJUHEFT-HXUWFJFHSA-N 467.591 4.790 10 40 JJCB O=C(CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cc1 32594665 HUFCTALRIZICKZ-QGZVFWFLSA-N 496.441 4.970 10 40 JJCB O=C1C[C@@H](c2cccc(Cl)c2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222072 SFPQIPVOTZKAFM-NSHDSACASA-N 484.819 4.516 10 40 JJCB biogenic Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Br)c1 223617568 VEHVDLBIEJLLFY-FCHUYYIVSA-N 485.451 4.607 10 40 JJCB Cc1ccc(C(=O)O)c(OCC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2O)c1 257322279 WFHOIDXNFKZORK-UHFFFAOYSA-N 458.514 4.530 10 40 JJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC 408873096 RJEVJVVJNMFCCM-UHFFFAOYSA-N 462.889 4.941 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 409103992 IBHGHCBUKOUTER-PXLXIMEGSA-N 483.565 4.890 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223657898 QEGSOCTZTOWTKD-AOYPEHQESA-N 476.646 4.950 10 40 JJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409000447 YHDXXPXQWMIUPL-LPYMAVHISA-N 496.352 4.959 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)NC1=S 409008267 XLTOSRKRZDSREW-SXGWCWSVSA-N 481.799 4.768 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)SC1=S 409350883 SPVZUAOHRZTNPG-BKUYFWCQSA-N 470.616 4.941 10 40 JJCB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(C(=O)OC)=C1C 2099149 KXSIMSOWJCFOLK-RGEXLXHISA-N 476.495 4.822 10 40 JJCB CC(=O)Nc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 2532809 CQIQKQPKRJLYGD-UHFFFAOYSA-N 453.498 4.845 10 40 JJCB COc1ccc(OC)c(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 20287807 JBCOZLIWIPOMIV-KQWNVCNZSA-N 458.474 4.749 10 40 JJCB CCCn1nc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)ccc1=O 31303701 LPJONJFUDIPXIL-UHFFFAOYSA-N 451.527 4.576 10 40 JJCB CCCCOc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC 95927101 XCTWXDDBISAIPU-HKOYGPOVSA-N 465.619 4.662 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccc(Cl)cc1 102755875 KBNJRCDQXSCABO-HKBOAZHASA-N 499.748 4.859 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223552500 FTPCFPGKZJTDDT-FEMWLQECSA-N 461.562 4.862 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccc3ncccc23)C1 257204683 AVWSFNLOJSEVCJ-OAQYLSRUSA-N 459.590 4.565 10 40 JJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=O)NC12CC3CC(CC(C3)C1)C2 408526909 DJPRLKKXEAYUDD-UNOMPAQXSA-N 471.399 4.632 10 40 JJCB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)O)n[nH]2)c1 408634277 TTYPMNHSYMZJSX-CIAFOILYSA-N 466.563 4.697 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 409107389 RNDMHVHFNUAYRL-UHFFFAOYSA-N 497.551 4.887 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC 8819370 LKEGKUUHAJYWEO-YVLHZVERSA-N 482.505 4.563 10 40 JJCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cn[nH]c4-c4ccccc4)S3)CC2)cc1Cl 9192748 ZKLPMWFRZKUSCN-BKUYFWCQSA-N 463.994 4.831 10 40 JJCB CCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccc(C)cn3c2=O)SC1=S 9209424 DUSJEQQSAQRZJF-JXAWBTAJSA-N 458.653 4.631 10 40 JJCB COc1cc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)ccc1OCC(=O)O 16915538 JGVOFXLRUQFTFB-OVCLIPMQSA-N 453.303 4.548 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S 33407959 OXUKIITXFHTRNZ-YVLHZVERSA-N 480.970 4.726 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408692371 LAMXBYPNDIMXLM-YBFXNURJSA-N 486.927 4.861 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C)cc1 408818233 UWESWZGPYSEXAA-HYARGMPZSA-N 456.498 4.557 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC 409144090 ICMWNFLJUWNQRG-XDHOZWIPSA-N 477.007 4.992 10 40 JJCB COc1cc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccccc1F 409149926 VUXKDNKLZYUSLY-JOCHJYFZSA-N 468.575 4.780 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 409227890 SNNRIMDJABDCEH-MOSHPQCFSA-N 461.499 4.810 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc([S@@](C)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 9868433 SEAATARQXXISND-YTTGMZPUSA-N 463.477 4.890 10 40 JJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2Br)C1=O 32701808 DPFGWOIPAPQRCF-QKIOLIMFSA-N 459.390 4.942 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 41078358 RFLGICAZVHTPMV-LQXVEBIKSA-N 482.880 4.676 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 59435771 AKPNUTIPUKMKHV-BOPFTXTBSA-N 476.356 4.926 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 223641879 VKVHJZSUCLZBPZ-PKTZIBPZSA-N 485.053 4.902 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408588363 VSLYFBCHAPEBDO-DHDCSXOGSA-N 463.273 4.787 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(F)cc1 408786301 OTHZTZDARJCLEN-LPYMAVHISA-N 474.488 4.697 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 8819438 XLMAMRQGAKCCGT-ZHZULCJRSA-N 456.589 4.632 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 8819868 RAXWMAXECIUFBN-BKUYFWCQSA-N 484.599 4.824 10 40 JJCB O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc(F)cc1 13025061 KDOYKVYJKUDXPK-SANMLTNESA-N 491.563 4.702 10 40 JJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c1 408814406 ZDMUSISIYQZDCU-MHWRWJLKSA-N 457.324 4.520 10 40 JJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1 408873945 XQFTZTHNNMIMMY-FYJGNVAPSA-N 492.890 4.523 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)cc1 408966485 MWTAGLREUFHGIU-HZHRSRAPSA-N 466.566 4.782 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408985526 XFQFVQYNMBXOPU-HAHDFKILSA-N 470.525 4.811 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c1C 409131311 VKBNVRKYNGZGIL-BOPFTXTBSA-N 480.929 4.746 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)c(Br)cc1OC 409146535 SSVQTUIYQIJMLP-LJQANCHMSA-N 480.449 4.871 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 409206865 QQMBEDTWSOGACS-OVCLIPMQSA-N 451.323 4.772 10 40 JJCB CCC(=O)N1c2cc(C)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 6461867 PBWRKPNNKRJCDV-UHFFFAOYSA-N 477.629 4.606 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 8398624 IUIRGIFVTMVMAM-GDNBJRDFSA-N 453.326 4.706 10 40 JJCB CC(/C=C1\SC(=S)N(CC(=O)Nc2nnc(CC(C)C)s2)C1=O)=C\c1ccccc1 8820643 ZQWHCIYVBAPKOO-DECHVDIESA-N 458.634 4.523 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 9233153 NKIMQNGNCFBHKN-FYJGNVAPSA-N 492.509 4.719 10 40 JJCB Cc1nc(Cc2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)o2)cs1 9920552 SFYKBFIWJZWMQG-UHFFFAOYSA-N 468.560 4.537 10 40 JJCB COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1Cl 35306094 HREWUSGTGQRXEV-KPLBSJHVSA-N 490.010 4.704 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cc(Cl)ccc1O 223218547 LIFMPUICTVVHAM-ZEQRLZLVSA-N 484.069 4.772 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 408870549 WLCKMSABIVDOOB-KOEQRZSOSA-N 454.526 4.959 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2F)c1 408892252 YFTYVOIYOYSJFI-UDWIEESQSA-N 480.879 4.733 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409236464 GRHDMYFCBZLEFP-XSFVSMFZSA-N 479.005 4.645 10 40 JJCB CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br 409329280 DDSRDDZPXWVUQL-BOPFTXTBSA-N 477.405 4.783 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 1800900 DMXPHDFLFGNAQU-ZHZULCJRSA-N 454.573 4.816 10 40 JJCB CCN(CC)CCCOc1cccc2c1C(=O)c1cccc(OCCCN(CC)CC)c1C2=O 4783343 MQXHQMSMYABBAD-UHFFFAOYSA-N 466.622 4.683 10 40 JJCB N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12 8495747 YTVDRAIGHNYCJY-BIYKVKLYSA-N 494.891 4.959 10 40 JJCB Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1NS(=O)(=O)c1ccccc1 10112142 OXAIZSRFXQRXCF-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 10113231 FYFZOYGVXPYAKX-UHFFFAOYSA-N 478.058 4.501 10 40 JJCB O=C1NC(=S)N(c2ccc3ccccc3c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 12360502 VWDIIIMGFDBBMR-KGENOOAVSA-N 468.490 4.629 10 40 JJCB CCOc1ccccc1[C@@H]1[C@H](C(=O)OC)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O 15996564 JJWOTPKKGPXUFC-JIMJEQGWSA-N 479.532 4.692 10 40 JJCB Cc1cc2c(cc1/C=C1\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C 208225610 IUCYXCTYFXRJGD-IXGURIBZSA-N 480.996 4.902 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223692263 VZRIQBKSKFCIAS-JWQCQUIFSA-N 462.619 4.642 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 409224737 IVDFYEPKHAQGHP-BUVRLJJBSA-N 457.530 4.672 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O 409243716 XUGWRHCMHUMDMN-DEDYPNTBSA-N 463.921 4.813 10 40 JJCB CSc1nnc2c(n1)O[C@@H](c1cc(Br)cc(Br)c1O)Nc1ccccc1-2 3207977 VCMRLMMQATWREV-HNNXBMFYSA-N 496.184 4.994 10 40 JJCB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC 4133766 XLKNULNCALYFKI-XMMPIXPASA-N 479.602 4.618 10 40 JJCB O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccccc1F 13025073 RMLJAAAJXNBYLY-SANMLTNESA-N 491.563 4.702 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1C 41082584 LWOHNVUVJLAEMX-ATVXKWJESA-N 461.518 4.610 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)cc1 408740838 IKUJUSBEUUAJJR-PDGQHHTCSA-N 467.344 4.849 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c(C)c1 408758231 XCPHKCXWUQVWJK-UDWIEESQSA-N 493.361 4.535 10 40 JJCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1ccc(O)cc1 408764342 REDHBRMXZWOQAC-DEDYPNTBSA-N 464.275 4.897 10 40 JJCB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC 409215703 ABJOCMIIKBRUAZ-UDWIEESQSA-N 457.573 4.660 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl 409230340 CCDYTVDCCDWVEM-OVCLIPMQSA-N 468.884 4.977 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1 409349497 QMLSXOTWQPWRKF-WOJGMQOQSA-N 451.481 4.749 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1cccc(Cl)c1 8779807 KMFHIYGFDRWIBF-QHCPKHFHSA-N 474.948 4.575 10 40 JJCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)CC1 13547392 HJAKEXVDDZGMER-KQWNVCNZSA-N 480.586 4.520 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274091 XMPMJVIHFWRPNK-DNQXCXABSA-N 468.070 4.985 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 408868292 NUZYXMLOFYLFNE-UDWIEESQSA-N 464.880 4.745 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(F)cc1 408903843 ADYXSYYQPFZEOR-HYARGMPZSA-N 459.477 4.658 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409221197 MLQGDYPQDJQWDM-LICLKQGHSA-N 458.967 4.702 10 40 JJCB CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(OC)c(OC)c(OC)c2)SC1=S 6178623 RBISXKRNIXZCRO-DEDYPNTBSA-N 481.599 4.786 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(I)cc1 16160996 FRMQSPAMUIQTDA-ZHZULCJRSA-N 453.283 4.888 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223694425 BCVQJRDBABBSLX-BJKOFHAPSA-N 499.036 4.687 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 408779770 KDIHDDKBANKHEB-FYJGNVAPSA-N 491.931 4.509 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 408789026 HHYVAYVBTNPYCG-KPKJPENVSA-N 455.750 4.877 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC(C)C 408818988 ZENHAJWHPNPQDC-RIYZIHGNSA-N 463.317 4.764 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc(C)c1 13424006 OALOOMXFNNQLRV-PKIWBCANSA-N 469.584 4.603 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 34771133 CFPFEXRJAYKWCM-ULJHMMPZSA-N 483.520 4.929 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1 34807617 VYABZDQWPSRVEQ-NVNXTCNLSA-N 471.256 4.550 10 40 JJCB N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 9553705 LCMFTJOFMBLVKX-YAXAZWRVSA-N 498.564 4.843 10 40 JJCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 59138842 JKNNAFZIYODMBU-XDHOZWIPSA-N 451.885 4.895 10 40 JJCB C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@H](C)O1 95959911 QHQORVMTQKBEOZ-QSBCOWLBSA-N 462.550 4.758 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 106701294 GMLKYHYEZUKULN-GRSHGNNSSA-N 494.356 4.975 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257217198 CXYZMPJRTTZGDU-OAQYLSRUSA-N 459.590 4.565 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 408778258 RSQYZNBMHGOGNC-GHRIWEEISA-N 458.499 4.536 10 40 JJCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 2386237 VUENNZHZJKNGAS-MOSHPQCFSA-N 479.583 4.614 10 40 JJCB COCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 8694936 XTESAXMRKWNYTC-FOWTUZBSSA-N 458.996 4.565 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 8819576 HWEOYZFMNYHQOF-MTJSOVHGSA-N 498.670 4.540 10 40 JJCB COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 9235524 HTXGQXFYYNUWKG-XDHOZWIPSA-N 465.508 4.837 10 40 JJCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc2ccccc12 100327043 DMRDWXZVPTTZTC-DSITVLBTSA-N 473.484 4.535 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1Cc1ccccc1 100901287 RZOPRTLUUCKVMN-ONTIZHBOSA-N 469.324 4.746 10 40 JJCB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102708148 MAUORQKITLUXHE-KKUQBAQOSA-N 471.557 4.593 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 208460398 ITCKDLSNSYCTJO-MTJSOVHGSA-N 478.980 4.812 10 40 JJCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccc(Br)c(C)c2)N=C1C 408530487 IYTIMSWMAOTKMF-VBKFSLOCSA-N 497.397 4.904 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1 408890347 RRTHEKMCZKISDI-XSFVSMFZSA-N 462.889 4.594 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 408896741 ZRXJOMAYFDBIJI-UYRXBGFRSA-N 472.335 4.734 10 40 JJCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OC 409207835 AYMDTXUUTFKZMX-GRSHGNNSSA-N 493.990 4.705 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br 409247422 HEXYTOCAMUOOGE-DSQDWWTGSA-N 473.392 4.766 10 40 JJCB COc1cc(-c2oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)O)ccc1O 1547139589 UVAFOMQBYOTHRW-UHFFFAOYSA-N 474.421 4.626 10 40 JJCB biogenic COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 967084 RICMTCKNTOGDEQ-XACIZNRCSA-N 463.964 4.602 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2Cl)cc1 10113539 DBBARFYAFFPMPM-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 15012989 CHVKUHHQQYTTNL-MOSHPQCFSA-N 473.504 4.799 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1Cl 20206979 HXCTVQSLJWUURS-WUVMMTAUSA-N 490.994 4.556 10 40 JJCB COc1ccc(OCCCn2cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)cc1 41078274 GYGRCYQZKLLQAD-KHDUAGGOSA-N 456.502 4.569 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C 223009487 XRWKSSUZAYWZSL-YADHBBJMSA-N 485.451 4.871 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1F 408866085 GGRSMNKILPLLAF-AQTBWJFISA-N 497.295 4.985 10 40 JJCB CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1Br 409333673 VDHQIBPKMDIPRR-DHDCSXOGSA-N 483.434 4.844 10 40 JJCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCc4ccccc4)c4ccccc34)[C@@H]21 1565524387 LPQCOUQMXKHWNN-GDLZYMKVSA-N 478.596 4.537 10 40 JJCB COc1ccc(N2CCN([C@@H](c3cccs3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 9715845 YWSVAGPBHZIMOI-FQEVSTJZSA-N 493.614 4.738 10 40 JJCB CN(C)c1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 15675654 GKZAEQBRIKWDCR-VWLOTQADSA-N 450.546 4.979 10 40 JJCB biogenic,in-vitro O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 18181819 KQGICYUEUPZPEJ-ACRUOGEOSA-N 492.314 4.689 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)SC1=S 33643872 UJDONTUIWCLLDK-WQRHYEAKSA-N 491.432 4.996 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223468042 HNSYVUSIIQVLDK-DQEYMECFSA-N 454.603 4.760 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1 408794636 ADLKZJNOPRTRON-BUVRLJJBSA-N 456.498 4.557 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1 408802624 ZOHPRYHSELQDQS-HYARGMPZSA-N 462.889 4.594 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2cccc(F)c2)C1=O 408889370 DBMDBLAJIPKPIG-HMAPJEAMSA-N 474.488 4.642 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1C 409071819 QAGVMSLLCRPJPR-CIAFOILYSA-N 463.921 4.940 10 40 JJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 409377818 KBDFZMWQUWVOSX-ZNBBLSJYSA-N 472.994 4.974 10 40 JJCB CCOc1cccc2c1OCCCCCNC(=O)CN(Cc1cccc(C(C)(C)C)c1O)C2 643574624 DWSYOIFURQBTNH-UHFFFAOYSA-N 454.611 4.770 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 18190322 BRGIQPUSGXBJHA-MFOYZWKCSA-N 458.301 4.656 10 40 JJCB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 33422759 BEZPBQKTHYUBSF-XSFVSMFZSA-N 479.583 4.614 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 33552555 YRIVPYCFXAMUQU-WQRHYEAKSA-N 452.869 4.528 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)cc(Br)c1O 38168610 HGUOERVZZSOWQC-WMZJFQQLSA-N 486.105 4.977 10 40 JJCB COC(=O)C[C@@H](c1ccc(OC)c(Cl)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221143 XZZWBWLFUWRLLB-HNNXBMFYSA-N 496.899 4.934 10 40 JJCB biogenic Cc1noc(CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(OC(F)F)cc2)n1 96941973 VAFVRVBBODFUEV-XDHOZWIPSA-N 485.516 4.723 10 40 JJCB CCc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1 223351757 IAYYJKHBXZUZAT-UHFFFAOYSA-N 493.673 4.915 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223480887 GMZKODQODXAJEP-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408774256 BRWXVYCXNYHFQG-ONUIUJJFSA-N 496.563 4.567 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2cccc(Cl)c2)c1 408801483 TZOSFYUCGXYLAM-LPYMAVHISA-N 476.916 4.902 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C(=O)NC2=S)cc1 408810735 KKTIJHLPHWCZHO-KGENOOAVSA-N 478.957 4.759 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1ccccc1F 408883817 RBRXMPIRIGQUBC-UYRXBGFRSA-N 462.452 4.621 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408948169 DXUKONNXFALHNE-SRZZPIQSSA-N 499.910 4.738 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC(C)C 409127697 QXZHPKGLENCPLF-CXUHLZMHSA-N 458.967 4.584 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 8435392 VEBJVQAWTCDYMU-IWIPYMOSSA-N 450.498 4.510 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 8781244 XMRPRURGGIECCS-SFQUDFHCSA-N 454.870 4.745 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S)c1ccccc1 9187007 DQQCEYXEQYJSKS-OQKWZONESA-N 476.579 4.691 10 40 JJCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9336709 NMVVDQMEKUHYBH-UHFFFAOYSA-N 499.640 4.522 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccccc4OC)n3C)c2C)cc1 9715994 XHOMMAAZGOTVHI-UHFFFAOYSA-N 462.575 4.882 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)c3sc4nc(C)c(C(C)=O)cc4c3N)c2C)cc1 57963376 ZPEQNIDWJDYZHA-UHFFFAOYSA-N 461.543 4.815 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccc(F)cc1 59135110 JRIDCYJDUDKSQV-FYJGNVAPSA-N 461.405 4.820 10 40 JJCB CCOC(=O)c1cccc(N2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 59639140 CWRQVAUQSRILPU-IWIPYMOSSA-N 499.954 4.981 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 101117271 ZNXPYUDGSSNCDX-ZRBLBEILSA-N 485.923 4.652 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(C(=O)O)cc1 223539102 XYQDDBOIENDCGU-DQEYMECFSA-N 483.597 4.755 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Br)C(C(=O)OC)=C2C)cc1 408589067 YGUNOACIAUXFON-AQTBWJFISA-N 470.319 4.503 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2cccc(F)c2)c1 408889723 GEVVPLPWSUYGTM-LPYMAVHISA-N 474.488 4.697 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3Cl)C(=O)N=C2O)cc1 2372025 BFJLJVUERGPYRO-CAPFRKAQSA-N 463.921 4.654 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 9307653 IEKKZEFFTYOCIT-SVKNRIHUSA-N 455.543 4.770 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 59135426 ALROVISERJVVSV-GZTJUZNOSA-N 451.366 4.509 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4cccc(Cl)c4)c3)CC2)cc1 224150505 QNQHHLOCWHANFB-UHFFFAOYSA-N 466.965 4.899 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408899351 ORCQGKXSCNCSOD-LDADJPATSA-N 470.367 4.579 10 40 JJCB Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 1240031 WCMWSUOCBJFKEN-BKAYVGFPSA-N 495.651 4.534 10 40 JJCB COc1ccc(N2CCN(c3c(C(=O)c4ccc(C)cc4)cnc4cc5c(cc34)OCO5)CC2)cc1 2694218 MRMZFIZRTWCYLZ-UHFFFAOYSA-N 481.552 4.838 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821858 KACIOKACPHGNEX-PXLXIMEGSA-N 478.505 4.786 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c1 9010270 PUQKBHGNIZVGJW-UCQKPKSFSA-N 459.571 4.633 10 40 JJCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 9274024 BGZCNRZVJPNHCY-JCMHNJIXSA-N 478.505 4.786 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 16694890 DBLDZGGKSJHESJ-UMSHPIDHSA-N 451.525 4.982 10 40 JJCB COc1ccc2[nH]cc(CCN/C(C)=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)c2c1 20288131 NYNUOUBUWMGIPH-ITYLOYPMSA-N 495.539 4.942 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)c2C)cc1 33777603 MUWZXVVEBWUYKA-FZAWDKCWSA-N 461.572 4.832 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 41082546 GURVFPBATGVPDB-NMESBGBPSA-N 497.935 4.655 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(=O)O)c1 223463250 JRJWQTVFIOJWBW-DQEYMECFSA-N 483.597 4.755 10 40 JJCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1 408849235 ZFCAEZDUGKBDFZ-YBFXNURJSA-N 463.287 4.718 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F 408889724 GEZRDKRAAMFPFD-ATVHPVEESA-N 468.843 4.864 10 40 JJCB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 9353339 WGVRSOQZOKDYNN-JLPGSUDCSA-N 467.500 4.533 10 40 JJCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4)c4ccccc34)CC2)cc1 12534677 PFWBSNPPTVORSY-UHFFFAOYSA-N 470.598 4.746 10 40 JJCB Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 13799227 REJTWMRAYBQONB-DEDYPNTBSA-N 464.319 4.727 10 40 JJCB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854946 SCSUKBHLUMGKBU-NRFANRHFSA-N 484.025 4.632 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 41076288 YWSWZXCBAAYHOQ-SVYGEZFPSA-N 451.861 4.929 10 40 JJCB CN1C(=O)/C(=C\c2ccc(-c3ccc(I)cc3)o2)C(=O)N(c2ccccc2)C1=O 59138896 BSIUMNJHCMWAFF-QGOAFFKASA-N 498.276 4.560 10 40 JJCB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951588 GZPYXRNBZJIYOB-FQEVSTJZSA-N 479.698 4.542 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O[C@H](C)CC 408900789 VBGODHJFROXZPS-CLXYIWAZSA-N 456.926 4.891 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409000074 WYNOYGISJXOREC-JWGURIENSA-N 463.574 4.917 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409225182 JQIQAYXTGHYDLB-GZTJUZNOSA-N 460.408 4.936 10 40 JJCB COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)SC2=S)cc1 1238387 USMSTSYTPBUVDI-MHWRWJLKSA-N 464.362 4.650 10 40 JJCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9041820 GVYUQUMLKUTSBQ-WJDWOHSUSA-N 452.875 4.541 10 40 JJCB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c(C)c1 16994250 YTKRCHVIDBVJOY-HHHXNRCGSA-N 477.674 4.756 10 40 JJCB Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 408538254 ZPCDEVSKQVWVJN-MOSHPQCFSA-N 494.425 4.899 10 40 JJCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408813610 YBMJJKHVUDYYQX-MHWRWJLKSA-N 463.715 4.556 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1Cl 408883029 QBEGRADABQCCLN-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408993214 CRYIOESQNRVSBL-UHFFFAOYSA-N 484.339 4.729 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br 409071905 SSGFQCVZLOGQHN-UKTHLTGXSA-N 479.783 4.641 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)NC1=S 409168785 STKYOYVTZUZYPY-FOWTUZBSSA-N 483.343 4.549 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccncc1 409332593 QNNJHHBRHYWVIH-MTJSOVHGSA-N 479.539 4.983 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 9805936 XJMVZQJKVXNXLS-QRVIBDJDSA-N 487.606 4.952 10 40 JJCB Cc1cc(C)cc(OCCn2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 13551630 VQWMWLCQUUPPEL-HYARGMPZSA-N 477.948 4.812 10 40 JJCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 19418844 SONSHLWWRZZSCP-YBEGLDIGSA-N 476.794 4.778 10 40 JJCB Cc1cccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C 41108050 ZPFUCSYECTVDCI-QNPCYTEQSA-N 455.543 4.792 10 40 JJCB CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 98087312 CGEDSRYMARBJFS-LDADJPATSA-N 471.296 4.892 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223688949 QENHIGWGIJROLK-XZOQPEGZSA-N 469.010 4.678 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 260916277 IHQQPKCOELIZOO-DNRSQYFGSA-N 475.662 4.707 10 40 JJCB CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1OC 408572213 FQUDIFRTEHHBSF-BKUYFWCQSA-N 470.616 4.885 10 40 JJCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl 408756636 SYWDSTYPXPIWPK-WUXMJOGZSA-N 484.133 4.739 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S 409167843 OCSKVWYLIJCTBF-XSFVSMFZSA-N 485.540 4.669 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9311434 XQSIIQUMSVSUBQ-UHFFFAOYSA-N 471.601 4.996 10 40 JJCB CCCCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9424845 DCVFTFDHGWHGCR-XMMPIXPASA-N 472.651 4.541 10 40 JJCB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 27570080 JBNWSSBKZRGULN-ZSOIEALJSA-N 468.815 4.579 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C(O)=NC1=S 59182303 LJSQRXAZKGCEPS-LICLKQGHSA-N 460.397 4.960 10 40 JJCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 95927105 IXLDCHZDSQHNJO-MXWIWYRXSA-N 466.632 4.599 10 40 JJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 100084159 ZCAKEHCEAIODEQ-GZTJUZNOSA-N 450.834 4.803 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408694601 KOFVZTPHGWARKR-HZHRSRAPSA-N 485.496 4.731 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(Cc2cccc(F)c2)c1 408878042 VUSJBFALQXVEMQ-HZHRSRAPSA-N 458.489 4.708 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409056517 MOKOOKIZTNYIBO-UHFFFAOYSA-N 476.168 4.794 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)N3CCCCC3)c12 409148726 QXDJFRBURJXULC-ALFKQNEGSA-N 497.686 4.596 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C 409192031 STZMQVKQFNOMTF-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccccc1Cl 409220761 FKOFJUDVQGIZHH-ODLFYWEKSA-N 482.901 4.973 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OCC 409355599 DHRTZQZMZIJMIF-XDHOZWIPSA-N 461.536 4.572 10 40 JJCB Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)c(C)n1-c1ccc(F)cc1 3477912 DYMVJLPYWQDCJB-QHCPKHFHSA-N 478.549 4.849 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)O 16915694 HYJLVGOAIQUWCZ-RQZCQDPDSA-N 494.388 4.717 10 40 JJCB O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113838596 LCFXDEGDXNWPBB-LDADJPATSA-N 452.473 4.700 10 40 JJCB Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1 408695592 WOETXDWYDNSUSU-DEDYPNTBSA-N 483.362 4.741 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cc2cccc(F)c2)c(Br)c1 408869687 TVQJNASPSRUUJT-PDGQHHTCSA-N 497.295 4.985 10 40 JJCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 408953880 QKQSPNMDRXTLMD-LDADJPATSA-N 485.396 4.681 10 40 JJCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409233392 VSDQMYYEEARJGQ-PDGQHHTCSA-N 456.445 4.699 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC(C)C 409236020 RDYUGYGLBBUEGG-VIZOYTHASA-N 479.385 4.929 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 8700762 OEADTOPDPMWFTP-XDJHFCHBSA-N 454.573 4.785 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)N=C2S)cc1 8739359 MQPXUZPVJDSDEO-GZTJUZNOSA-N 466.902 4.849 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 408886962 KMLKOUIHLDZAAP-DEDYPNTBSA-N 450.853 4.725 10 40 JJCB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC 4092736 TYEFIAPQXSAMCR-AREMUKBSSA-N 491.588 4.810 10 40 JJCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O 9308338 YRJJLAGRSUMRBJ-SJBKTWHCSA-N 485.323 4.759 10 40 JJCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 12550229 UDUFTTIGWHSNMT-RUZDIDTESA-N 472.501 4.690 10 40 JJCB COc1ccc(N2CCN(CCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(c3ccccc3)(C5)C4)CC2)cc1 57910142 VZZUDRCVKLZGRQ-YERGFUTFSA-N 487.688 4.862 10 40 JJCB COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Br 59135147 LLPQIDYTLJHJOD-WUXMJOGZSA-N 453.651 4.757 10 40 JJCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]32)c1 101482507 UHDIDDINXMOJFI-NXCFDTQHSA-N 487.511 4.843 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1 408895265 DISNNCQDBPJHRA-UYRXBGFRSA-N 486.952 4.983 10 40 JJCB CCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)C(=O)N(c2ccccc2)C1=S 409022395 MYPGVZUOYRMCTE-CJLVFECKSA-N 460.555 4.811 10 40 JJCB COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)N(c3nccs3)C2=O)cc1OC 2203127 MSDOFKRNWVZXQW-WJDWOHSUSA-N 470.348 4.757 10 40 JJCB Cc1c(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2376803 OUPBBGAVEQLLBW-ATVHPVEESA-N 486.416 4.653 10 40 JJCB CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21 8821618 NXCQKZVPJVYCPE-MRCUWXFGSA-N 488.631 4.747 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 13569175 BNRMYDJSLDMMCX-XNTDXEJSSA-N 472.240 4.828 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 18190201 WVBLJRAWJGSCSO-GXHLCREISA-N 458.301 4.656 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 33735714 BKHAPWCSPRRFHU-JLPGSUDCSA-N 454.526 4.773 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 41082492 QCIFLVRXNREMNS-ATVXKWJESA-N 461.518 4.610 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 206828504 XSIRKRPVVXSDLX-DEDYPNTBSA-N 457.573 4.649 10 40 JJCB CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)NC3=O)c2-c2ccccc2)cc1 408743003 RGAFYCRRHIGNPJ-UHFFFAOYSA-N 477.520 4.959 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408898373 LUINAPZIOYHTSE-UYRXBGFRSA-N 456.926 4.973 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 409186337 AOXQPUIDRVQCRE-HZHRSRAPSA-N 473.598 4.941 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 409187204 NIWUOYPUTFUACM-HYARGMPZSA-N 479.989 4.978 10 40 JJCB O=C1N=C(O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 16399900 OKEFXTSIYZRYRS-GRSHGNNSSA-N 495.850 4.837 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCC)SC4=NC3=O)c2C)cc1 33528838 NRILIDQFDCYABA-BIWIXZEJSA-N 453.593 4.823 10 40 JJCB COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 34888004 JXUUBESKVIXFGI-LFVJCYFKSA-N 483.524 4.927 10 40 JJCB O=C1C[C@@H](c2ccc3ncccc3c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96116176 IWUKCGVQEQINAQ-INIZCTEOSA-N 467.433 4.566 10 40 JJCB biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)cc1 408761155 BUVWFYIUIMPCOA-JLPGSUDCSA-N 492.535 4.509 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Br)c1 408885296 YZQSBVYLEDWYOD-YBFXNURJSA-N 495.304 4.551 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 408890670 XKACPLFZVYJZJU-UDWIEESQSA-N 450.853 4.725 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 408931114 HIUIVXWRMHLERG-LPYMAVHISA-N 490.541 4.986 10 40 JJCB CCN1C(=O)[C@H](Cc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)SC1=S 409148416 ZAWZPEBVNCFZEN-KRWDZBQOSA-N 484.412 4.967 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br 409253548 ZOIWFRKWVKHLPI-RIYZIHGNSA-N 499.308 4.698 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)OC 409338407 JKOGSXMLQGMXEZ-WOJGMQOQSA-N 493.990 4.705 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 2169133 WCTLJHPFQNQYFZ-MTJSOVHGSA-N 476.510 4.937 10 40 JJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 8820498 IQCULKMLXMZHPQ-DURWOYGOSA-N 452.557 4.561 10 40 JJCB CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113515 DIGITETZQNJZQQ-UHFFFAOYSA-N 491.657 4.922 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 20210173 UCRMWGOVOOMQDW-BOPFTXTBSA-N 466.837 4.554 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1 41108194 LBSSVIWHYFQVKK-BEHXWQCNSA-N 459.506 4.683 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 58903844 SQSGQVBMPRRGJH-UQQQWYQISA-N 482.536 4.890 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)ccc1OCc1ccccc1 59104545 AMTOFPSRXAGIHA-YBFXNURJSA-N 472.453 4.510 10 40 JJCB Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 96300977 KKZZRLDIQPDTSC-UHFFFAOYSA-N 472.371 4.641 10 40 JJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)ccc1C(=O)OC 103919266 LOCHJAMUJJWYFE-STZFKDTASA-N 492.557 4.758 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C(=O)NC2=S)cc1 208515755 WDTVWIBTTPOYGD-PXLXIMEGSA-N 475.614 4.938 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(C(=O)O)cc1 223463455 WKUSTFLBJAZCON-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225952030 FZFNKVUZJDFXMD-UHFFFAOYSA-N 493.725 4.934 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409102970 UYWKVDQEFZPSOD-FOWTUZBSSA-N 474.344 4.659 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409242556 OOGSURQAVGHMLD-ZHZULCJRSA-N 457.436 4.634 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(O)cc1 409245746 YNORVZZYAXYHJN-RGVLZGJSSA-N 485.487 4.650 10 40 JJCB CCOC(=O)c1oc2c(CN(C)C)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1 9216329 WAEWDYYKYOGCDS-UHFFFAOYSA-N 452.532 4.576 10 40 JJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 10232861 DFDSVGAMAPEFRU-JIHKLPAASA-N 459.545 4.578 10 40 JJCB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854949 XNHCIZVLVDJDFL-NRFANRHFSA-N 484.025 4.632 10 40 JJCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3OC)c3ccccc23)C(O)=NC1=S 59182316 IJJARFNQMGWUAD-XDJHFCHBSA-N 463.559 4.606 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223056769 SATVMWDXNXCMEA-DQEYMECFSA-N 463.651 4.564 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408550041 CXBYWWBUMWZDFM-VXLYETTFSA-N 461.946 4.545 10 40 JJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1 408873030 QYPXCRYWTUZHCG-KGENOOAVSA-N 492.890 4.523 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 409025421 QYMYPXJZWJUBOS-MFOYZWKCSA-N 451.331 4.687 10 40 JJCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409145364 OSAOJBZENBSFRN-KOEQRZSOSA-N 499.567 4.713 10 40 JJCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 9424386 VXJMXTXDLFOWTJ-QVKWDTFWSA-N 453.527 4.636 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC1CCCCC1 12276163 YRGNQRJNVDLHLC-LGMDPLHJSA-N 467.454 4.879 10 40 JJCB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 13040499 RDBBWZWNUODVDA-UHFFFAOYSA-N 461.562 4.680 10 40 JJCB N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 13514609 RBAMYZNSAQDGCG-BTGMWCQSSA-N 473.945 4.981 10 40 JJCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 35153398 VCKZIEMJQWQPDM-NDENLUEZSA-N 497.320 4.637 10 40 JJCB CCOc1ccc2nc(Sc3ccc(C=C4C(=O)OC(C)(C)OC4=O)cc3[N+](=O)[O-])sc2c1 59488119 CZPVTUTYGQMSLZ-UHFFFAOYSA-N 486.527 4.974 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 225209743 NCGRLSSPGSFNBW-UHFFFAOYSA-N 472.010 4.917 10 40 JJCB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)s1 408685563 LMXURVFFWBWFBI-UHFFFAOYSA-N 490.541 4.693 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 409371011 CKECDNPKDAXJIU-VCHYOVAHSA-N 471.296 4.827 10 40 JJCB O=C(COc1ccccc1/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O)Nc1ccccc1 2086196 ARXKZHWFGPARAF-DEDYPNTBSA-N 475.888 4.864 10 40 JJCB COc1ccc(-c2c3c(nc4nc(N5C[C@H](C)C[C@@H](C)C5)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 10339155 IZHTWDJPXMEEKJ-HZPDHXFCSA-N 466.541 4.687 10 40 JJCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 20288264 DSSOXIMITKKCCN-JWGURIENSA-N 456.458 4.518 10 40 JJCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21 33458376 AXGRXXDVBKCUSH-SYVPYPDPSA-N 484.556 4.545 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1Cl 223580190 IJOMXWSJKIOENG-NHCUHLMSSA-N 461.418 4.761 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC(C)C 408801954 XADJSDFFODKKIR-NTEUORMPSA-N 463.317 4.846 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OC(C)C)C2=O)ccc1Br 408897187 ICHJDHIYUKHTBS-YBEGLDIGSA-N 477.742 4.865 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)c1ccc(Br)cc1 409221938 BTONIRYMOOPFMD-DEDYPNTBSA-N 471.376 4.969 10 40 JJCB COc1cccc(OCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1 1266074 AJJDUHYPDHDCSH-UCQKPKSFSA-N 485.496 4.824 10 40 JJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1 9299726 XZYAKFXTEBYSDC-WQRHYEAKSA-N 475.364 4.533 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1 9311352 HXDDBSBIXIVUEG-PDGQHHTCSA-N 497.916 4.738 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1 9934453 PAGLNMVFJDQKIF-NDENLUEZSA-N 480.387 4.688 10 40 JJCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 18125250 OZTSBQDIAYECQV-VABKMULXSA-N 485.923 4.652 10 40 JJCB COc1ccc(C2=C/C(=C3/SC(NC(=O)c4ccccc4)=NC3=O)c3ccccc3O2)cc1 95482123 BPURMLCEEJAGAS-ATJXCDBQSA-N 454.507 4.899 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 223659806 MCYROZMGPBMHDZ-RSXGOPAZSA-N 476.646 4.896 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260925617 WFJGZRKHWAJPCO-NIJXNBFTSA-N 490.629 4.647 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)nc1 409099071 RUIYRIKYITUZAX-MHWRWJLKSA-N 469.328 4.771 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c1 409239479 NQDPQJGDKVJYSY-BOPFTXTBSA-N 480.929 4.746 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC 409339831 ZFFWINAIUDGNHV-DHDCSXOGSA-N 481.349 4.780 10 40 JJCB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789434 UGJBSUIXNMDYNW-UHFFFAOYSA-N 451.910 4.790 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)cc1 8819607 MYHIBFDMFBPCLL-WQRHYEAKSA-N 460.964 4.689 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 9310915 QSQQLBXPLRFUSL-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 10113165 GCWATCSRQGWWDV-UHFFFAOYSA-N 498.048 4.842 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1 18181101 UHDIDDINXMOJFI-UODIDJSMSA-N 487.511 4.843 10 40 JJCB O=C(CCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cc1 32594666 HUFCTALRIZICKZ-KRWDZBQOSA-N 496.441 4.970 10 40 JJCB COc1cc(N2N=C(C)/C(=C/NC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Cl 408526750 CHTVGHZBAWCORJ-GDNBJRDFSA-N 463.719 4.539 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 408797306 CHFZLYJMFILBHL-MHWRWJLKSA-N 487.350 4.530 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 408808237 FQZLLLFOOHEOTG-OVCLIPMQSA-N 463.317 4.766 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Br 408864971 AISDKLSCQISCOD-DEDYPNTBSA-N 491.341 4.715 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409012550 KFJIZGFIPVTVOR-MHWRWJLKSA-N 479.385 4.964 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)cc1 409018330 ULEUSJRXVIQZPG-ZVHZXABRSA-N 470.573 4.859 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1C(=O)O 409216954 QAONXLRNWWTOBW-LFIBNONCSA-N 498.322 4.766 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409239148 GQPLBCHTMNELTE-CPNJWEJPSA-N 493.947 4.821 10 40 JJCB Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C 879049 GWLCDKQZNNDXTK-UHFFFAOYSA-N 475.570 4.544 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)cc1 1006088 RJACRGPBKHWAGJ-HYARGMPZSA-N 490.585 4.871 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccccc1 8453093 YRSDMVHRSFFPGD-UFXRWZQASA-N 474.464 4.846 10 40 JJCB CCOC(=O)c1c(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)sc2c1CCCC2 8870018 ZOBQACDEWNOQOG-SFQUDFHCSA-N 486.640 4.887 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9934907 AUIRKMMNKNKXFZ-GXDHUFHOSA-N 471.252 4.618 10 40 JJCB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 11691741 LMCZNLCTHQTFPL-TZRRMPRUSA-N 461.949 4.766 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3coc4cc(OC)ccc34)c2C)cc1 13095430 SRVRQQRVRFLVIO-UHFFFAOYSA-N 475.497 4.604 10 40 JJCB O=C1C[C@H](c2ccccc2Br)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96115314 BDDZRYXCXVYRSR-CYBMUJFWSA-N 495.281 4.780 10 40 JJCB biogenic CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1 108205587 QXIHIGNNAAZFNA-GZTJUZNOSA-N 473.392 4.630 10 40 JJCB COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Br)c(C)c4)N=C3C)sc2c1 408530798 JORXYJLLLSZATJ-GDNBJRDFSA-N 457.353 5.094 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 408859626 VUJJLFBTTPRCKP-DHZHZOJOSA-N 499.148 4.616 10 40 JJCB Cc1cc(N2CCOCC2)ccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 409068999 UBWITUKQUCJZDM-UHFFFAOYSA-N 483.593 4.580 10 40 JJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O 1239536 QKKNIVQCIBWDPQ-MLBUPBODSA-N 452.557 4.561 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCC(C)C)nc12 2257913 PEBVJJAAYQLLRU-ODLFYWEKSA-N 482.606 4.611 10 40 JJCB COc1cc(OC)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 4092661 OGPMCINVRTWXHQ-AREMUKBSSA-N 491.588 4.810 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(O)cc1 9260429 DROQTAUFZYBKRQ-BOPFTXTBSA-N 486.380 4.938 10 40 JJCB O=C1C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 16713086 HOFJDSJELVMBEM-XLHBQHSSSA-N 488.512 4.795 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccccc5)CC4)=NC3=O)o2)c([N+](=O)[O-])c1 27229552 DEWFQGNUUKINDD-KQWNVCNZSA-N 474.542 4.956 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 100535468 GRZFYHOUXKAXSB-JWGURIENSA-N 476.558 4.523 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222815896 UDBWDFGVNKXQPX-FTJBHMTQSA-N 475.662 4.707 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 223256393 RDILUQOAZKOMTE-DHIUTWEWSA-N 470.086 4.901 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)SC2=S)cc1 409216189 IOUSMLGIWNHUET-HMAPJEAMSA-N 493.610 4.658 10 40 JJCB CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 1805197 HWGXBUWWNXRCFR-QBFSEMIESA-N 452.652 4.562 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(O)=NC2=S)cc1 2177213 VJNQTNVBIUSCKH-RGVLZGJSSA-N 475.526 4.503 10 40 JJCB CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)NC(=S)NC3=O)ccc21 3187980 QBLNTTMKUVOXJR-UHFFFAOYSA-N 491.576 4.581 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 8453055 XBSUEWLGVNVXCO-KTXRHGARSA-N 478.574 4.881 10 40 JJCB COc1ccc(N2CCN(c3ncnc4sc(C(=O)NCCC5=CCCCC5)c(C)c34)CC2)cc1 9434287 NSPILFDWJFOCOG-UHFFFAOYSA-N 491.661 4.955 10 40 JJCB Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 13618916 IAEDBDFSQGSMBZ-HXHKZXPTSA-N 482.675 4.629 10 40 JJCB CCOc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1 36612769 XMAYCKMOHMWHGR-LFVJCYFKSA-N 499.523 4.607 10 40 JJCB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(O)=NC1=S 59087100 VDPJKUIGDBMGBB-WOJGMQOQSA-N 468.376 4.939 10 40 JJCB CN1C(=O)C(=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)C(=O)N(C)C1=S 59139372 QHTDEWPJELKVJZ-UHFFFAOYSA-N 495.398 4.780 10 40 JJCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccccc1 102760943 RZOPRTLUUCKVMN-JAXLGGSGSA-N 469.324 4.746 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1 408800885 QBIWFJQLDXYWMQ-BUVRLJJBSA-N 486.524 4.648 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409021454 ITDXWVGOMOFTFA-MFOYZWKCSA-N 477.435 4.608 10 40 JJCB COc1cc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccccc1F 409149927 VUXKDNKLZYUSLY-QFIPXVFZSA-N 468.575 4.780 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 409339144 SFFPMSJYFURFPJ-ODLFYWEKSA-N 477.007 4.930 10 40 JJCB O=C(Cn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 8741209 QMCICPXPZONSNH-LPYMAVHISA-N 498.926 4.804 10 40 JJCB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)F)c(Cl)c1 9285722 AVYVIPRKFDEALD-UHFFFAOYSA-N 451.813 4.914 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 16729310 CVQCTAPTMSWNSH-MOSHPQCFSA-N 488.594 4.609 10 40 JJCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCc3ccccc3C2)cc1 16914838 UJAWAZKCNXGBLL-NRFANRHFSA-N 476.067 4.545 10 40 JJCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 41108300 OWQYUNHTFZCCCQ-QNPCYTEQSA-N 455.543 4.792 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101481639 KQGICYUEUPZPEJ-NJDAHSKKSA-N 492.314 4.689 10 40 JJCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223310744 BRNZLJKBKRSJGH-FTBPSBKWSA-N 462.619 4.649 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1O 408901216 CDIXWKYJQXWCIE-MDWZMJQESA-N 466.129 4.732 10 40 JJCB COc1ccc(CN2C(=O)[C@H](Cc3c(OC)ccc4ccc(OC)cc34)SC2=S)cc1 409143909 WSXSGFNFQRXANT-QFIPXVFZSA-N 453.585 4.837 10 40 JJCB O=c1cc(C(F)(F)F)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c2o1 1614472542 QEDRZBSAZITOEU-CXPUYTBASA-N 474.523 4.912 10 40 JJCB biogenic O=C([C@H]1CCCN(Cc2cc(Br)ccc2O)C1)N1CCC(Cc2ccccc2)CC1 1458385 ZRGNWLOYBVFDOS-NRFANRHFSA-N 471.439 4.848 10 40 JJCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C(C(=O)OC)=C1C 2185491 QPXDTOCXVJQMIU-UKWGHVSLSA-N 463.361 4.720 10 40 JJCB Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C\c4cccs4)SC3=S)s2)c1 8820224 JQBMABFHWKUEEJ-LICLKQGHSA-N 471.654 4.944 10 40 JJCB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 9375865 LCXFZWQWYIBFPD-KPKJPENVSA-N 475.589 4.686 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCc2ccc(F)cc2)cc1 20288432 NQPFAFMYIGVDCU-ULJHMMPZSA-N 474.492 4.600 10 40 JJCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)CC2)cc1 38851137 CQHAWPFLQJJECR-GOSISDBHSA-N 462.421 4.563 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1OCc1ccccc1 41084675 IWVXZLPJZSFBFV-ICALIKLASA-N 489.601 4.583 10 40 JJCB CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 59138894 QSPFANVVCMGRBN-SFQUDFHCSA-N 451.822 4.517 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(I)cc2)C(=O)N1c1cccc(Br)c1 59198323 IWZOXPGBVXYBME-RIYZIHGNSA-N 497.086 4.560 10 40 JJCB CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 95471557 BPETZQLKIJFGAE-ZHZULCJRSA-N 455.356 4.650 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(F)cc1 223225605 HAVQULGXEOSXRX-BJKOFHAPSA-N 451.615 4.552 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1F 408879537 FCLDFNVACCILTE-YBEGLDIGSA-N 498.869 4.872 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 409134070 RSOVNRGIKGCDFV-XKZIYDEJSA-N 459.571 4.551 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409190362 XOVCACLCKFXWNW-OEAKJJBVSA-N 487.581 4.747 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)NC1=S 409242694 XQHITBBZNJEPFE-LFIBNONCSA-N 467.890 4.648 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)SC2=S)cc1C 409332070 PHPJFIZTUTWORH-RQZCQDPDSA-N 478.389 4.935 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 1093249 NQUMBLVVWUHSJI-NDENLUEZSA-N 453.420 4.779 10 40 JJCB CCN(CC)c1ccc([C@H]2N(C(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 1436950 AZATWOHXMFQLHX-SANMLTNESA-N 477.630 4.687 10 40 JJCB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8882764 LOIKVTUGLFXTDD-QGZVFWFLSA-N 496.592 4.784 10 40 JJCB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 11691740 LMCZNLCTHQTFPL-WXFUMESZSA-N 461.949 4.766 10 40 JJCB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12563388 ZIRKVMOYMXYPTD-UHFFFAOYSA-N 471.509 4.564 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 14165992 CAUHZNDABWGTCE-DPLHUUCSSA-N 491.525 4.920 10 40 JJCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1 14357263 SSOXYUOBOLTDDH-AWEZNQCLSA-N 473.432 4.614 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl 108197659 ZKYQAGRVTLIUSV-AQTBWJFISA-N 453.281 4.674 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C 223009681 SAFHGEHAXIXIHP-VXKWHMMOSA-N 485.451 4.871 10 40 JJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1I 408533297 OJFBRYOTQITDGA-UVTDQMKNSA-N 451.695 4.972 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C)cc1 408804154 WMQKOHPAHSFMDN-HYARGMPZSA-N 470.525 4.866 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1 409118906 QLMMEYVXPHNGMN-RVDMUPIBSA-N 485.279 4.706 10 40 JJCB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O 409409977 SGMGRLDKPCUJDB-DBIISACCSA-N 489.325 4.529 10 40 JJCB CN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 2401552 NXISTZFJEPAROZ-ZROIWOOFSA-N 464.355 4.625 10 40 JJCB CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(N(C)C)cc2)nc1C 3643458 CSSPVNKNBGACBZ-FQEVSTJZSA-N 489.553 4.550 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1C 13424008 YODWBDLMICYCLV-WBRURWICSA-N 469.584 4.603 10 40 JJCB O=C1[C@H]2CCC[C@@H]1[C@@H](c1cc(Br)ccc1O)N[C@H]2c1cc(Br)ccc1O 43705246 BNLUROIUVWWAIF-FUOYASODSA-N 481.184 4.994 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)C2=O)cc1 107771946 NOZBPXRGJPAZSM-BGARDKSCSA-N 456.926 4.755 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 222996362 XWFSYUSIHMCXHP-YADHBBJMSA-N 457.043 4.986 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408780349 XQXSLLNOQKOYTO-XNTDXEJSSA-N 499.266 4.755 10 40 JJCB CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC 408878753 ARPWKAQAKGUPCT-UHFFFAOYSA-N 458.539 4.842 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 409001106 GVBWSTJYBNLNKC-MHWRWJLKSA-N 487.306 4.999 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 409187240 NVTDKELARUMBCA-HZHRSRAPSA-N 473.598 4.941 10 40 JJCB Cc1cccc(CN(Cc2ccco2)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 1673472363 IVUXJVHGSSSYCJ-UHFFFAOYSA-N 455.505 4.615 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)cc1 13810233 SHRMOZAZWBMKDM-PDGQHHTCSA-N 484.386 4.780 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1 13881042 UUOGUPWCJKKAMM-LPYMAVHISA-N 489.553 4.776 10 40 JJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Br)cc1 13894342 XIWFBVOQYPXJQP-ODLFYWEKSA-N 475.364 4.533 10 40 JJCB CN1CCN(Cc2c(O)ccc3c(=O)c(-c4cccc(Cl)c4)c(C(F)(F)F)oc23)CC1 19791526 YZLGQGSJCOQTOK-UHFFFAOYSA-N 452.860 4.585 10 40 JJCB biogenic COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223558871 XFQCYJFFOVTTST-RPBOFIJWSA-N 455.587 4.757 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(Cl)c1 408809488 HQZAKJVDDIZLFX-DEDYPNTBSA-N 462.889 4.594 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H]1c1ccc(N(C)C)cc1 408988492 ICHPRFYLYRTAKF-XMMPIXPASA-N 480.634 4.579 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(Br)cc1OC 409143753 IOWMKCXUIKAPFQ-LJQANCHMSA-N 496.448 4.837 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1C 409347036 NDVZAGIOTDVXQB-CIAFOILYSA-N 476.510 4.937 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S 409349656 QJQJNKGOGOGSKN-MOSHPQCFSA-N 456.589 4.632 10 40 JJCB CCCCn1c(=O)c(CCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2ccccc21 3365046 PGEWRVDDPUPXLY-UHFFFAOYSA-N 485.584 4.963 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1C 101156938 ZVCOYIFHWPGJRS-ZLNRFVROSA-N 485.923 4.652 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1ccc(F)cc1 102759809 GOSURHXZEBZUIP-ZJOUEHCJSA-N 473.287 4.889 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 408813462 QJZUNEZODVWECW-CXUHLZMHSA-N 463.317 4.847 10 40 JJCB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)n1 655357 XFWCDZQGWJPSIY-OAQYLSRUSA-N 455.474 4.662 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1 9259853 CWGFABJXVLUPFV-BUVRLJJBSA-N 492.535 4.563 10 40 JJCB Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 9280940 GADKUODDFJJETN-FSWFDUBRSA-N 497.580 4.824 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)O 9295501 CKGZVIQKGHWVLT-VCHYOVAHSA-N 461.586 4.676 10 40 JJCB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 12645789 GAVPBEXLVQXMQQ-INIZCTEOSA-N 487.503 4.639 10 40 JJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 33879492 QASSOQAMXWDEJA-BKUYFWCQSA-N 453.539 4.718 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1 41078448 AZRBPYHVOARDSZ-NFFSQDDPSA-N 496.317 4.517 10 40 JJCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1O 85876029 SGMWSUODBKOMHN-UHFFFAOYSA-N 491.500 4.930 10 40 JJCB biogenic COC(=O)C[C@@H](c1ccnc2ccccc12)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221321 VHEDHNVYYZPHLV-SFHVURJKSA-N 483.476 4.820 10 40 JJCB biogenic Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Br 223617418 NQFHDYGPCYQOIU-VXKWHMMOSA-N 485.451 4.607 10 40 JJCB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2)cc1 225553374 IWEIDCXGTPTGCW-PZJWPPBQSA-N 490.069 4.608 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC(C)C 408815175 PPGRDEZCUQWSJD-LICLKQGHSA-N 456.926 4.809 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F 408865159 BCXXUEKOSGTTMJ-ODLFYWEKSA-N 480.948 4.910 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1 408900417 SKZIIMLFPUZSIC-PDGQHHTCSA-N 472.925 4.593 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 409013348 UQJVBCVFKPCFMM-MHWRWJLKSA-N 479.385 4.964 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 409350745 YWDZMQQPWPFYLK-HYARGMPZSA-N 494.569 4.960 10 40 JJCB C/C(NCCc1ccc(O)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 20288177 OFLQKIVQKHECOV-QJOMJCCJSA-N 454.555 4.859 10 40 JJCB O=C(C1=CN(c2ccc(OCc3ccccc3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 21359481 LSXZMNMFPSJBHK-UHFFFAOYSA-N 478.545 4.794 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOc1cccc(OC)c1 34871656 YBEUWEGVVDMLMM-STZFKDTASA-N 459.589 4.773 10 40 JJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c1 257235582 GYLQYSNHKQQJKX-UHFFFAOYSA-N 467.772 4.629 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c1 408805946 CWCXZCXPQYCKBO-UDWIEESQSA-N 491.887 4.802 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 408848737 SXGAGBMARRDUOM-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)cc1Cl 409235716 PZODTBSSRNNKPI-LPYMAVHISA-N 493.032 4.953 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409241593 KAUVCGRLQLFYRI-FOWTUZBSSA-N 481.848 4.573 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 1179803 JUXWHIAJTMLJPO-SFQUDFHCSA-N 460.964 4.658 10 40 JJCB Cc1cc(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 14356647 WIQZMOQDGWLIGZ-UHFFFAOYSA-N 495.482 4.604 10 40 JJCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085984 IJRGKSFYPMVQOE-UHFFFAOYSA-N 474.380 4.525 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 408870745 XJFJUNOWAXHIJG-AQTBWJFISA-N 450.853 4.725 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OC 409328634 ZEFQQMSHLIWFGF-GZTJUZNOSA-N 479.421 4.938 10 40 JJCB COC(=O)Cc1c(-c2ccc3c(c2)OCO3)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12 604406315 HGOSYCVWWDLCBH-UHFFFAOYSA-N 486.432 4.729 10 40 JJCB biogenic COc1ccc(/C=C2\SC(=S)N(c3ccc(I)cc3)C2=O)cc1 1060709 HRYWVRPIYIZTBG-GDNBJRDFSA-N 453.326 4.706 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1 12468613 KUQNNBQXOVKGGI-ZDLGFXPLSA-N 496.478 4.657 10 40 JJCB Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 17058864 YRWANDUCWYGKPN-JCMHNJIXSA-N 460.486 4.857 10 40 JJCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)c(OC)cc3OC)C(=O)N=C2S1 41082828 GRXUODWEUHBLAJ-XDIBTQGESA-N 471.970 4.957 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1O 96669496 DZSHLCOFOPWNCJ-OVCLIPMQSA-N 480.361 4.657 10 40 JJCB O=C1[C@H]2CCC[C@H]1[C@@H](c1cc(Br)ccc1O)N[C@@H]2c1cc(Br)ccc1O 100455174 BNLUROIUVWWAIF-OYUDYFSCSA-N 481.184 4.994 10 40 JJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4cccc(F)c4)c4ccccc34)C2=O)o1 107758169 YVQYXXBTFYKOEU-XKZIYDEJSA-N 487.487 4.610 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 208233435 RDMKXKQZQZBPPN-REIAIGDLSA-N 463.603 4.557 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1O 223498044 YUTHSOQJDDKQLA-LOSJGSFVSA-N 455.587 4.762 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)c(C)c1 409139862 BUDMSVUYCSXGSK-CIAFOILYSA-N 487.581 4.549 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2782958 PCSSGPWHLIHJIK-MHWRWJLKSA-N 487.320 4.783 10 40 JJCB CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 9713686 GMSUIDJFDVKQFY-NSHDSACASA-N 455.586 4.545 10 40 JJCB Cc1cc(C)nc(SCC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 12538614 SJYBMNDWYYYAEK-UHFFFAOYSA-N 475.517 4.621 10 40 JJCB COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 13025219 GPILZJRTBYCKBC-VWLOTQADSA-N 489.572 4.579 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2CCOc2cc(Cl)ccc2Cl)C(=O)N1Cc1ccco1 13894326 ZMSSRLCGJUQNHP-SFQUDFHCSA-N 474.300 4.969 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 16790969 GRRPJYNPSSPTIV-UYRXBGFRSA-N 494.554 4.514 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18249944 VUAKJIPZLVFSSE-HJOGWXRNSA-N 465.505 4.505 10 40 JJCB COc1cc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Br)c1OCC(=O)O 33778441 XFPKIWIILOFYRR-OVCLIPMQSA-N 497.754 4.657 10 40 JJCB Cc1nn2c(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c(-c3ccccc3)nc2s1 41074377 NORFFZLBPWWQGJ-IHVOSJJMSA-N 483.582 4.628 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 223109554 HHHKMQVBHMXETK-UHFFFAOYSA-N 486.465 4.702 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(Cc2ccccc2Cl)c1 408884764 VLGZLIVVTUJQDM-PXLXIMEGSA-N 460.917 4.914 10 40 JJCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 409350274 RHXHNVHQLFVLKN-OQLLNIDSSA-N 451.323 4.772 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 3329994 UJLOGKNFHLIMMQ-DEOSSOPVSA-N 467.978 4.775 10 40 JJCB aggregator CN(C)c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Br 8408093 XEGKQHCMSRBVGM-CPWDNUMFSA-N 453.365 4.819 10 40 JJCB COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C 8663714 QDBKYAPRZKTIRY-LCYFTJDESA-N 465.691 4.738 10 40 JJCB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cccc2c1C(=O)c1ccccc1C2=O 9984454 HJZNHJROHDKOEU-UHFFFAOYSA-N 492.512 4.784 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 33544274 AEIPOAGCZLMPTK-MASFNPCMSA-N 490.976 4.819 10 40 JJCB COc1cccc(OCCCn2cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)c1 41078272 IRRZXPOVPGRGKV-KFEXUMGBSA-N 456.502 4.569 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 223641818 VKVHJZSUCLZBPZ-GOTSBHOMSA-N 485.053 4.902 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 224004714 YUIVEFFNVZDZJJ-DQEYMECFSA-N 469.570 4.790 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1cc(C)cc(C)c1 408872315 CWNMWZYGQNQVSS-STZFKDTASA-N 458.489 4.708 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 408890078 NLRCLKFFJAANAJ-XDHOZWIPSA-N 450.853 4.725 10 40 JJCB CCN1C(=O)[C@@H](Cc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)SC1=S 409148419 ZAWZPEBVNCFZEN-QGZVFWFLSA-N 484.412 4.967 10 40 JJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409200573 IGUAIGNGWQQIHG-UDWIEESQSA-N 476.510 4.937 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br 653691 NWGKYABUIMETSA-IZZDOVSWSA-N 486.174 4.596 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C2=O)c1 977438 RJTNPYRCVFOENS-HAHDFKILSA-N 457.530 4.722 10 40 JJCB O=c1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2cc1-c1nc2ccccc2s1 4482555 FFGRSZWHMCBZIX-AEFFLSMTSA-N 497.576 4.556 10 40 JJCB biogenic Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 12285379 CFACTUALUKALBU-KBUZEUCASA-N 488.491 4.943 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1C 13810259 QMHBZYXAVWRTBH-ZHZULCJRSA-N 478.932 4.576 10 40 JJCB Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35190589 DOPOYCIMFBVKKB-STZFKDTASA-N 463.331 4.798 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 101345517 NUFKXCZSNJTBJV-LGUFXXKBSA-N 472.539 4.978 10 40 JJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224744 TVGVSWYXVLUCEU-CLJLJLNGSA-N 461.679 4.976 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(=O)O)c1 223348255 OMCORUQGRFEBEN-BJKOFHAPSA-N 472.570 4.953 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2Cl)cc1Cl 408529926 JNCCGMOINXUMIX-APSNUPSMSA-N 453.372 4.808 10 40 JJCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Br)c(C)c4)N=C3C)sc2c1 408535070 XLKASXRCJMOZJF-WJDWOHSUSA-N 471.380 5.484 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)S1 408554985 UVLBBGBWHCAMQJ-REZTVBANSA-N 498.775 4.771 10 40 JJCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 408949381 HVGACOQBOISRHN-ZMOGYAJESA-N 486.568 4.838 10 40 JJCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409066250 KPXPUIDMKFOSRU-GXDHUFHOSA-N 479.783 4.641 10 40 JJCB CN(C)c1ccc(N2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 409347440 MFBZJOYQROIPOI-KGENOOAVSA-N 464.572 4.916 10 40 JJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 9183578 LQHICXYRKNOPFA-LGMDPLHJSA-N 474.677 4.919 10 40 JJCB Cc1ccccc1OCCCn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 9678627 PJRDSTJLCGLSIV-KQWNVCNZSA-N 483.524 4.674 10 40 JJCB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1Cl 10112170 LDWLAAAVRUOZDW-UHFFFAOYSA-N 484.021 4.979 10 40 JJCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 13615055 GDZHUCKSAVEWGD-ATVHPVEESA-N 493.778 4.838 10 40 JJCB CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(OCC)c1 13915582 QFWRSQSHDJVYKU-MHWRWJLKSA-N 473.323 4.838 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 13940044 UQKVIRJKRJTVNQ-BKUYFWCQSA-N 495.304 4.834 10 40 JJCB COc1ccc(OC)c(N2CC(=O)N(c3ccc(C)cc3C)[C@H](c3ccc(N(C)C)cc3)C2=O)c1 15412770 OUGVGNVNPAGSET-HHHXNRCGSA-N 473.573 4.508 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223504506 FFGGUNWFKUNYAX-DNQXCXABSA-N 454.603 4.760 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 225717016 ZXALRZHAJSQUGX-QZTJIDSGSA-N 473.664 4.920 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c1 408964487 CQDHRAWNTSZDPW-BUVRLJJBSA-N 496.592 4.872 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c1 409231126 HSLIRUHSBIJZRF-UNOMPAQXSA-N 461.499 4.611 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409237064 VPVAGAYGOFRZMY-LFVJCYFKSA-N 494.551 4.787 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 409329467 GDZAJOKMGCHEEL-XDHOZWIPSA-N 498.969 4.933 10 40 JJCB Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 3307547 JXGDSIVSCMZTNO-UHFFFAOYSA-N 470.407 4.614 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1 8860834 ASOWLZZEZKALJC-UHFFFAOYSA-N 485.005 4.760 10 40 JJCB O=C1N=C(S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cc2c3c(c1)CCCN3CCC2 9009362 GAAXWCLLIVPWDC-XDHOZWIPSA-N 471.504 4.647 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)CC 9232966 KNEZPCRKGVWUFY-HBBMIWKISA-N 486.615 4.817 10 40 JJCB CCCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 16732696 ULJKNQIIEFQBEH-FCQUAONHSA-N 493.654 4.501 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(OCc2ccccc2)cc1 27533734 KUSDJCNDNNIWSH-KGENOOAVSA-N 464.543 4.951 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)c1 33319983 QVRWXCIPARSBJT-VGOFMYFVSA-N 451.323 4.777 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 408872911 LFDGCIKQNLDTTJ-KOEQRZSOSA-N 482.536 4.737 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3F)C2=O)cc1 408873116 NAUXGWLCIUJCKL-XQNSMLJCSA-N 458.489 4.654 10 40 JJCB Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409125363 AAPJFTMYBDIIGC-IWIPYMOSSA-N 490.654 4.727 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c1C 980547 WTQFUFXXTOJPGO-DEDYPNTBSA-N 477.517 4.691 10 40 JJCB CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 1182388 YPXLNDARXNLDDP-PDGQHHTCSA-N 489.416 4.882 10 40 JJCB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 9125288 LQCSCGQPEAQCKF-CYBMUJFWSA-N 482.319 4.803 10 40 JJCB CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3ccccc3)c3ccc(Br)cc23)C1=O 59087291 VIIFDKWQKHQHFP-XDHOZWIPSA-N 482.334 4.805 10 40 JJCB COC(=O)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1 59484945 ZMQFCEZJKPDGHD-UHFFFAOYSA-N 470.550 4.838 10 40 JJCB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)c(C(=O)OCC)c1C 100535695 HJTKXHLTOUCHRZ-WJDWOHSUSA-N 475.954 4.782 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1C 195761005 FRKGOQOZNFZUSY-WQRHYEAKSA-N 464.861 4.581 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222944600 UZXVEDKNYFZEGU-ZEQRLZLVSA-N 462.619 4.904 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(=O)O)c1 223463137 JRJWQTVFIOJWBW-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 408962220 XKMPQTZQGSJTNX-GZTJUZNOSA-N 460.386 4.733 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)cc1Cl 408987360 OGYJAHKEIADUCQ-JMIUGGIZSA-N 490.899 4.623 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)NC1=S 409108903 WWKVETXNNPJNBE-KGENOOAVSA-N 493.032 4.953 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2c1 409237067 VQZPUNBCOZZLDG-XDHOZWIPSA-N 486.471 4.707 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 409241631 KSISWWSGQWIZJF-BOPFTXTBSA-N 465.849 4.791 10 40 JJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2)SC1=S 409338236 GIAAGNRAZZCBKM-KGENOOAVSA-N 463.584 4.660 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C 8453059 QNGFHHBTUOVCHG-MBYGRGGXSA-N 478.574 4.737 10 40 JJCB COc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccccc2F)C(=O)N=C1O 17028814 OVKNOZDHBOYAPQ-YRNVUSSQSA-N 498.102 4.866 10 40 JJCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 41076245 QTOOKILXHFGIAG-SDWZUDADSA-N 457.471 4.717 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59135300 CVVDOHTYNRVFSY-YBFXNURJSA-N 478.436 4.657 10 40 JJCB CCn1c(S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634221 SGYWXACSHGSWOE-HMMYKYKNSA-N 470.982 4.673 10 40 JJCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1F 409141416 HWVQZCYGFWQING-HMAPJEAMSA-N 462.502 4.814 10 40 JJCB COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 409149707 OCMKDASFFSMRDU-SFHVURJKSA-N 456.416 4.990 10 40 JJCB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1 843626 DDOIVWUVXKAHKD-UIOOFZCWSA-N 451.530 4.565 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)ccc1O 2454616 XLOBETGGHRMOCR-SXGWCWSVSA-N 453.372 4.929 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccccc2)N2CCOCC2)c1O 20412157 LKAILIFSHRJTOM-QFIPXVFZSA-N 462.571 4.915 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)o1 26608255 ZFTGUSGTDAEHFX-OAHXEOETSA-N 470.510 4.709 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 26642424 LQMPJNPRPZEHGN-GBEVANGZSA-N 478.574 4.881 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 408757415 MZBJPGNTMGKFIN-UDWIEESQSA-N 493.361 4.535 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1cccc(F)c1 408882555 QUYUKWGMJWRTCF-FYJGNVAPSA-N 464.880 4.745 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 408899402 OYOPGOIEWGPRFK-WQRHYEAKSA-N 472.925 4.591 10 40 JJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 408919024 RSDSQCJRNNQHRL-BKUYFWCQSA-N 473.504 4.799 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 408933898 BZISUSAJAKNYCG-AQTBWJFISA-N 450.853 4.725 10 40 JJCB O=C1c2ccccc2C(=O)c2c(NC(=O)c3ccc4c5c(ncnc35)-c3ccccc3C4=O)cccc21 3954537 UCANIZWVDIFCHH-UHFFFAOYSA-N 481.467 4.869 10 40 JJCB in-vitro COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1Cl 9076091 MRQYBNCCGNADLD-WQRHYEAKSA-N 470.312 4.518 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 9299714 BZMUOPFETULKNO-HKOYGPOVSA-N 486.568 4.912 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 41082457 UWLFKBGMHBCCEX-JLZYVWBQSA-N 461.518 4.610 10 40 JJCB O=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(O)=NC(=S)N1c1ccccc1F 59136006 FIHPITLHZYLTKP-WOJGMQOQSA-N 476.485 4.805 10 40 JJCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 408739887 BKWASPJCFOLFSI-UYRXBGFRSA-N 481.371 4.832 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408783453 LMPXCXJODVDXPC-UQQQWYQISA-N 482.536 4.890 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NCCCOC)c12 409128309 IBOLVTITLLWMDX-JCMHNJIXSA-N 493.654 4.762 10 40 JJCB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1OC 1346236 GYGBHDXNJIEXQT-UHFFFAOYSA-N 464.503 4.724 10 40 JJCB CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2408535 WSSYBTFYTFMGJB-CYXNTTPDSA-N 479.532 4.692 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 9193048 JPWKQXZFWFNACB-DMNVVODESA-N 459.531 4.753 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S)c1ccccc1O 11914609 DPADXHSCORVESV-JCMHNJIXSA-N 498.589 4.791 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1Cl 14671571 LKEPKGFZPGGCKX-ZDLGFXPLSA-N 463.964 4.604 10 40 JJCB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408535405 NZJUCFNQCHCFDD-MPKIVNMISA-N 472.884 4.625 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 408845356 MKFHAXAQFJHWFS-DEDYPNTBSA-N 463.921 4.765 10 40 JJCB Cc1ccccc1N1C(=O)C(=Cc2ccc(N3CCOCC3)cc2)C(=O)N(c2ccccc2C)C1=S 677855 RBMXWSONUPNOQB-UHFFFAOYSA-N 497.620 4.888 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 2273883 SXDHAGBNOBDRPD-JAIQZWGSSA-N 499.910 4.738 10 40 JJCB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c1 2397517 CUSRKZZVPHKMRG-QNGOZBTKSA-N 465.600 4.786 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S 9262604 ONKCJGWBOSTKME-AUWJEWJLSA-N 474.767 4.724 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 13381962 UDSSIJUPXWYCDQ-YHDSQAASSA-N 456.498 4.788 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1OC 13712973 OKGXVGMWQUJPKV-NVNXTCNLSA-N 469.371 4.557 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCc3ccccc3C2)cc1 35349249 GWDKKZGBTGKJAR-AREMUKBSSA-N 464.009 4.701 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C 208325063 QSGHCRAVOXJEOM-FEMWLQECSA-N 477.630 4.947 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 223060546 NUQQQTOINAWTCL-DNQXCXABSA-N 478.618 4.505 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223467988 HNSYVUSIIQVLDK-LOSJGSFVSA-N 454.603 4.760 10 40 JJCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2C(F)(F)F)SC1=S 256055636 NZYFMCIHZHDSCH-XIDKLXSXSA-N 480.533 4.993 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408810428 JSMSDOKKXCIFDD-DEDYPNTBSA-N 491.887 4.802 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1 408819013 WICMGCPIAQWOTF-PXLXIMEGSA-N 470.525 4.948 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1 409100999 WJYJADCEUCBKNH-AQRZYSDFSA-N 455.580 4.538 10 40 JJCB COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)SC1=S 409143746 HQQQGTWLTRJOFK-IBGZPJMESA-N 480.449 4.754 10 40 JJCB Cc1cccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2224168 VTZATYUREWBBNL-JLPGSUDCSA-N 483.524 4.674 10 40 JJCB CCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 8742392 JLFXVGSQELOSEU-WLNXHHGHSA-N 484.691 4.877 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCc1ccccc1 8820020 BLRITOPWJPYNFN-JWGURIENSA-N 482.627 4.536 10 40 JJCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 9422048 JKLINSVHGZEXEZ-UHFFFAOYSA-N 457.324 4.807 10 40 JJCB CC(C)(C)OC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN21 9428347 XJQQXVPKVMENAQ-GVAUOCQISA-N 478.548 4.951 10 40 JJCB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214117 YLDUVZYDZXLNIL-IBGZPJMESA-N 490.785 4.690 10 40 JJCB CC(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 16000407 QCVXZSKFQOKCRS-KMDXXIMOSA-N 454.913 4.757 10 40 JJCB Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(=O)CN4CCCCCC4)cc3)n2)cc1 16806092 MRIQJQWSTKCVPZ-UHFFFAOYSA-N 484.647 4.734 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1 41082637 XZXZFTNBLIOJER-LMEPTBFJSA-N 467.909 4.647 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OCc2ccccc2)c1 205872372 CZTGWNJCJYJBSV-LFVJCYFKSA-N 493.629 4.771 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 408942236 YICXJCXIDMLDGM-STZFKDTASA-N 477.314 4.695 10 40 JJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408998507 QTWALAHEQZRFOD-ZLYHGVDXSA-N 470.319 4.612 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 409054252 ILXWHZRFMODVHM-UHFFFAOYSA-N 485.587 4.574 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409220581 BTNNSJVUQKRYGV-UFFVCSGVSA-N 494.504 4.816 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 409244544 FGGMRHUMCDONQO-LPYMAVHISA-N 479.533 4.917 10 40 JJCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1Br 894249 PFFFCHYATPJYRI-UHFFFAOYSA-N 457.309 4.885 10 40 JJCB CCOc1cc(Br)cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1O 1009463 OFWYNJFWLTVXMC-QGZVFWFLSA-N 461.341 4.630 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1 9309553 BNUCCRZGYFWWCI-TUKHXMGSSA-N 455.543 4.770 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NCC(C)C)nc12 9461885 UBBYOJQBLDTKNP-PDGQHHTCSA-N 456.637 4.605 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 13943900 CUILTAFVDGBQNO-RSPUHVBCSA-N 478.574 4.881 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 33915687 JPWKQXZFWFNACB-QGUUBAPPSA-N 459.531 4.753 10 40 JJCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1 59135012 BHMRPWMAINWVBU-LPYMAVHISA-N 461.449 4.665 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c(C)c1 59136191 ICMGNNAEBNRWNO-CPNJWEJPSA-N 491.544 5.000 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 95276480 DOVLZKJTLDKJJC-KQWNVCNZSA-N 490.585 4.831 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 257248130 JCFWNLIPFMCPQZ-QHCPKHFHSA-N 450.579 4.528 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(F)c1 408772302 GIKRHWLVINCVAB-HYARGMPZSA-N 474.488 4.778 10 40 JJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C 409075771 XWMOYZFBKQSJOC-KGENOOAVSA-N 489.597 4.505 10 40 JJCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)SC1=S 409140699 IBOCPJYOVJAXPN-ZDLGFXPLSA-N 492.464 4.637 10 40 JJCB CCCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@H]34)cc12 524729815 KCPUSSFLKJQTQY-WIOPSUGQSA-N 470.654 4.863 10 40 JJCB biogenic CC[C@H](NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 9589555 KDKCEIAGZNZILS-NRFANRHFSA-N 475.928 4.848 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCC1 17299693 RRNOJVJBIUXOKE-XDHOZWIPSA-N 472.408 4.814 10 40 JJCB CC(=O)Nc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 100525394 PYWBYXMSMXXQLG-ZFZZVZNFSA-N 463.479 4.552 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]32)cc1C 101156941 ZVCOYIFHWPGJRS-ZRBLBEILSA-N 485.923 4.652 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 107797256 MKWCWUWUBAHZFF-IUXPMGMMSA-N 483.307 4.763 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 225857262 HMYOJVHPXLNDRI-UHFFFAOYSA-N 493.673 4.970 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(F)c1 260924268 SWWDKCDYQCXNKX-FGCOXFRFSA-N 450.583 4.780 10 40 JJCB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409201546 MHUFFULGUYZJHH-IUXPMGMMSA-N 463.895 4.534 10 40 JJCB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc2c2c1CCCC2 1083103368 HVGLMGJCHJOAAV-OIHDBWOVSA-N 460.618 4.772 10 40 JJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 1408348 OMZKSYWJFZEWLS-ZDLGFXPLSA-N 477.742 4.851 10 40 JJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 8659800 REOYEQVTPPESDE-JLPGSUDCSA-N 460.559 4.823 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 9087735 BWVTYZQIVSUXNB-GRRODGBQSA-N 484.541 4.978 10 40 JJCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)c2Cl 12584919 MPSQXCIWZHDFFY-RMKNXTFCSA-N 470.956 4.587 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC 16682872 APCRSWFJRRMCMO-UYRXBGFRSA-N 472.335 4.734 10 40 JJCB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 20288192 GZRFYJUROCABQX-MOHJPFBDSA-N 484.581 4.998 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26531978 JLFXVGSQELOSEU-ARHDRIAESA-N 484.691 4.877 10 40 JJCB COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 59417979 RMHTULVPZUGZMV-NVNXTCNLSA-N 451.323 4.772 10 40 JJCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)SC1=S 256055307 BHIPPFSKHZJOJX-XIDKLXSXSA-N 480.533 4.993 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C 408571931 DJIKJMGCJGSZOJ-NDENLUEZSA-N 470.616 4.939 10 40 JJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 408808677 QTMPEOOMZVZJJL-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1 408818425 XXMPSSAIEOFEGN-BUVRLJJBSA-N 470.525 4.811 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 408868112 NNYLUCDEFCMNAR-JCMHNJIXSA-N 470.525 4.811 10 40 JJCB O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 408990695 LKIRINNJCMBILD-NSIKDUERSA-N 476.542 4.753 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H]1c1ccc(N(C)C)cc1 408993171 VNSCQRNXNMJKHZ-XMMPIXPASA-N 480.634 4.579 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 409234326 ZJAXFNOYDPQOCA-CIAFOILYSA-N 463.921 4.940 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](c2ccc(F)cc2)C12C(=O)c1ccccc1C2=O 2377438 DTWLJDCVEGCQOZ-OYUWMTPXSA-N 494.522 4.807 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 8861573 PLRJGXRRGBJLPV-YBFXNURJSA-N 497.320 4.637 10 40 JJCB CC1=C(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)[C@@H]1C 9090482 VOPODFGYHLCNAT-CRRKTRLDSA-N 451.529 4.505 10 40 JJCB Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9672402 NXVKHWCDQQHQBG-SFHVURJKSA-N 492.531 4.740 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1O 12469307 QJBQJZKXMPHXSZ-ZROIWOOFSA-N 475.373 4.539 10 40 JJCB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)cc1 13613177 PHXGVDUBQFHRPF-UHFFFAOYSA-N 463.603 4.634 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(OC)cc2OC)cc1 20288719 UUFFJSMZPISKAJ-JLPGSUDCSA-N 488.500 4.758 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Br)c1 223268797 MHCLETPHLGCGRL-GOTSBHOMSA-N 498.494 4.786 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1Cl 408981313 AFYCSJDLWHTZMC-WQRHYEAKSA-N 451.885 4.861 10 40 JJCB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 13069931 VWWKKELYMUJDKM-UHFFFAOYSA-N 494.378 4.530 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408798478 FNMLKMXUSJICRJ-OEAKJJBVSA-N 486.524 4.653 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2cccc(C)c2)c1 408811832 WKNATZRFQKQIJB-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408815203 RUBFFLLTSWYNSK-UHFFFAOYSA-N 483.735 4.668 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(Cc2ccccc2F)c1 408879891 HQFBIZSVGFTGDR-PXLXIMEGSA-N 458.489 4.708 10 40 JJCB CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409347475 PZHRTUDGOYMXAR-CAOOACKPSA-N 464.362 4.982 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 33319872 YNUQWGWEKXAHHQ-CPNJWEJPSA-N 450.878 4.547 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 33728901 BXKKCLMULJVITL-NDENLUEZSA-N 493.903 4.687 10 40 JJCB COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221166 FYBGGLUFACHTSZ-SFHVURJKSA-N 483.476 4.820 10 40 JJCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1O 408941536 WWUSXROGLPUUJN-FYJGNVAPSA-N 492.915 4.690 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC(C)C 409148899 UECNQGPICBWPCJ-LICLKQGHSA-N 472.994 4.974 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(N)=O 409199486 DARPVXDCSZEHHX-CAOOACKPSA-N 483.398 4.662 10 40 JJCB CN1CCN(Cc2cc(C(C)(C)C)ccc2O)CCOc2ccccc2Oc2ncccc2C1=O 643565902 MLDAAUWXZDKGSD-UHFFFAOYSA-N 475.589 4.844 10 40 JJCB CCOc1c(I)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1OC 6600252 NPVSQRQMWDSSQE-CXUHLZMHSA-N 462.283 4.988 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 8461769 ZXWRIUKFJPVVNM-BOPFTXTBSA-N 471.307 4.680 10 40 JJCB Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C\c4ccco4)SC3=S)s2)cc1 8820275 RQSULNXJZYYBTB-LDADJPATSA-N 469.613 4.865 10 40 JJCB COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1 9309635 KVUFHERRKIBXFK-ALLGYFEPSA-N 499.596 4.973 10 40 JJCB Cc1cc(C(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2CC(C)C)c(C)n1-c1ccc(Cl)cc1 10037197 NMFHREHFMRWLOI-KRWDZBQOSA-N 488.057 4.776 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3OC)c(OC)c2)SC1=S 33430210 JYONICUOWPMOPB-QNGOZBTKSA-N 459.589 4.773 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1 36612571 QTVFWGPNKPHYCD-UCQKPKSFSA-N 499.523 4.525 10 40 JJCB Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1 102464371 KQTNOYMCMPHZGB-OQYABBNDSA-N 493.614 4.761 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)c1 208452981 VJHQNYHRDHPBSZ-LPYMAVHISA-N 459.546 4.692 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Cl 223267627 JSKSLFKOPJVFFI-DHIUTWEWSA-N 454.043 4.677 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccccc2)c1 408815642 SWHGMEIJFYEXBA-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)NC2=S)c(OC)c1 409095854 IQQRRHKHDUGFKM-FYJGNVAPSA-N 489.597 4.559 10 40 JJCB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 683809 RWMMPUHEEIJNIK-WQRHYEAKSA-N 487.350 4.596 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 2198513 NCOYYBYDDHHXDN-MOSHPQCFSA-N 464.319 4.523 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1OCCOc1ccccc1 2937035 ONGOWCDOLNZOMC-LTGZKZEYSA-N 472.497 4.968 10 40 JJCB CCCN(CCC)c1ccc([C@H]2NC(=O)c3c(sc4c3CCN(C(=O)OCC)C4)N2)cc1 4091833 KRLDSBOXGPDYDK-NRFANRHFSA-N 456.612 4.743 10 40 JJCB O=C(CSc1ncnc2ccccc12)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9403335 XLNMPXMQUKADBZ-UHFFFAOYSA-N 459.914 4.789 10 40 JJCB Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 27549653 DHHMDQFDZJQEHH-XYDJZCRXSA-N 488.491 4.943 10 40 JJCB O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(O)=NC(=S)N1c1ccccc1F 59135719 WXKKMFMHHAYTLH-CPNJWEJPSA-N 477.473 4.985 10 40 JJCB COC(=O)c1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1 59484143 SWPQSCGIJIVRSS-UHFFFAOYSA-N 454.482 4.673 10 40 JJCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCC2)cc(OC)c1O 85877289 SNYHLYQZZQUQBR-UHFFFAOYSA-N 477.473 4.540 10 40 JJCB biogenic CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C 208515714 ZEGWJXKBZHBPTG-KGENOOAVSA-N 461.587 4.548 10 40 JJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=O)c1 408855647 FPILTUPZRQDVLO-XSFVSMFZSA-N 491.519 4.697 10 40 JJCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S 8821651 IAEVGJWJZCIKNY-HNENSFHCSA-N 464.584 4.945 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13676297 DYWUJDLLLPVYAH-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409106621 OKIDKICAKPHEOT-LDADJPATSA-N 464.978 4.591 10 40 JJCB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1C 409345688 IUIFNNXRBAJEKQ-ZDLGFXPLSA-N 491.432 4.914 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 8819537 AWWLMGJRRHVWLN-AQTBWJFISA-N 474.991 4.747 10 40 JJCB Cc1cc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)n1-c1ccccc1 9632085 XTWHAFRDVTZFLS-UHFFFAOYSA-N 463.537 4.772 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)c1 39556225 IAAKZNVZZDNHAI-PCLIKHOPSA-N 478.552 4.838 10 40 JJCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)ccc1OCCOc1cc(C)ccc1C 41076797 OSXMZZSKCVEHMN-KGENOOAVSA-N 490.512 4.865 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 223311899 IHQQPKCOELIZOO-HRNNMHKYSA-N 475.662 4.707 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 408799998 MNSBDNWBMIASCK-JLHYYAGUSA-N 463.715 4.558 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2cccc(C)c2)c1 408802744 GVGUFHDHTUGPIT-ZVHZXABRSA-N 470.525 4.866 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(C)cc2)c1 408803525 QBSXVCGPQIVZJH-ZVHZXABRSA-N 470.525 4.866 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 408817604 WIRRPJWDWVZATO-RGVLZGJSSA-N 495.850 4.633 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C(=O)N(c2ccccc2)C1=S 409022883 VJGDUQUCSFEIAZ-CJLVFECKSA-N 488.565 4.995 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 13894895 XAQMTKGOMZBPPT-QWFXQQHISA-N 499.936 4.865 10 40 JJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 21524230 JVEJYNNKDGUSRS-UHFFFAOYSA-N 459.502 4.614 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)nc1 223544262 QWCUUEUMHYXYMQ-RPBOFIJWSA-N 454.603 4.760 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1 409019874 ZTNLPWHSXWEBQD-YBEGLDIGSA-N 462.727 4.988 10 40 JJCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O 409132169 LOUPUYXFPBIUGY-XMHGGMMESA-N 486.952 4.588 10 40 JJCB CN1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(O)=NC1=S 1273238 QCURAKYCVKVGAX-IZZDOVSWSA-N 457.758 4.944 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 2483089 VYFPVLLDAYUNLQ-YZUZCNPQSA-N 491.525 4.920 10 40 JJCB CCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1OCC 13141924 ZYWISWHSHHJBEB-UHFFFAOYSA-N 465.502 4.660 10 40 JJCB CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)c1 13940169 COCXREOLXAXLMZ-ITYLOYPMSA-N 484.552 4.990 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914102 XWQPYXJHJIUJQX-HHHXNRCGSA-N 495.042 4.767 10 40 JJCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 33339643 SOGLXZHVDWMTGF-XSFVSMFZSA-N 463.584 4.914 10 40 JJCB COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc([N+](=O)[O-])c1O 59485031 TZZBGLMGCGXKBE-UHFFFAOYSA-N 487.468 4.509 10 40 JJCB CCOC(=O)/C=C(\C)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(Br)ccc1O 80325211 AZNYBBYHTYYUBB-RDPWEWGOSA-N 459.340 4.781 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1O 223498103 YUTHSOQJDDKQLA-DQEYMECFSA-N 455.587 4.762 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225956935 CDAWILZXKNTXKE-UHFFFAOYSA-N 479.053 4.780 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408805101 DQOTUKSDQGWIGD-YBFXNURJSA-N 483.307 4.944 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408854496 GTUZKIGHIYJQDZ-YRNVUSSQSA-N 485.776 4.885 10 40 JJCB CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 408937291 NVVSSRRNKDKGRJ-HAHDFKILSA-N 476.916 4.984 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OC 409032881 KFSQHZZODJOUGD-ZSOIEALJSA-N 477.389 4.556 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 409047732 MXHYHYBAGPNBMF-WCIBSUBMSA-N 451.205 4.774 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409104419 ZMUOPDXCXGDEKR-BOPFTXTBSA-N 499.310 4.976 10 40 JJCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)cc1 409342418 DUTKSNIBBULRQX-UDWIEESQSA-N 494.550 4.815 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(O)c3)C2=O)cc1 3864863 QINNRLBMTXTKFS-ZHZULCJRSA-N 456.589 4.801 10 40 JJCB COc1ccc(N2CCN(c3ccc(-c4nc(-c5ccccc5)no4)cc3[N+](=O)[O-])CC2)cc1 8587026 OSELPUICFAMOMH-UHFFFAOYSA-N 457.490 4.647 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 8819703 SRADLWHDYMJDJW-ATJXCDBQSA-N 479.671 4.797 10 40 JJCB Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 8984893 ZURIIIXKXVPNKI-BOPFTXTBSA-N 450.379 4.704 10 40 JJCB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 9729833 FBGPYYCPXMVGNI-UHFFFAOYSA-N 483.613 4.722 10 40 JJCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N(c4cccc5ccccc45)C3=O)ccc21 13512604 ZPUJAHVCXLQFPJ-OQKWZONESA-N 455.583 4.834 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc(C)cc1 41078354 OWCMUQVNTPNHNB-LQXVEBIKSA-N 482.334 4.795 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(C(=O)O)cc1 59135944 CJZKBCPUNUTLJJ-LDADJPATSA-N 463.490 4.603 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 225205456 OLTWSDZWFPILKF-UHFFFAOYSA-N 483.609 4.568 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I 408901424 FCTFJEOIGOFDFO-XNTDXEJSSA-N 453.326 4.706 10 40 JJCB Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 2662850 BNJIJYDJIAQDAC-UHFFFAOYSA-N 455.486 4.907 10 40 JJCB CC1(C)OC(=O)C(=Cc2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)C(=O)O1 3048710 NCAIQVWMASREGO-UHFFFAOYSA-N 450.800 4.917 10 40 JJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1Cl 8738999 XIJUNEBEUKISNY-JCMHNJIXSA-N 495.004 4.894 10 40 JJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 8763488 NEEYTFHLJWOXRT-MOSHPQCFSA-N 484.599 4.799 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c(C)c1 9281675 CHVQDYFSSQRVQP-GRRODGBQSA-N 454.559 4.773 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C)cc1 13424004 WBAPYCLBGWDQQP-PKIWBCANSA-N 469.584 4.603 10 40 JJCB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)c(C(=O)OCC)c1C 18128081 FTPUCZHWXUXUIO-ATVHPVEESA-N 469.563 4.745 10 40 JJCB Cc1cc(C)c2c(c1)S[C@@H](NC(=O)CN1C(=O)/C(=C\c3ccccc3Cl)SC1=S)N2 28296990 ZJNVFRKISTXNJI-ZYEUVFMNSA-N 476.048 4.776 10 40 JJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccn3-c3ccccc3C)C(=O)N=C2S1 41108296 SODILXGLLOZMAL-RSPUHVBCSA-N 455.543 4.792 10 40 JJCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=O 59138857 BEPKXYWUEBQXCV-AQTBWJFISA-N 451.276 4.718 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 59595453 KVGCCIQUJOOBJU-LPYMAVHISA-N 489.597 4.559 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc21 208243531 KEBRZSWQPWWCPD-AGZSBTIMSA-N 455.917 4.868 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1cccc(F)c1 408873803 VXYFIGZSVYKCIB-CIAFOILYSA-N 479.851 4.645 10 40 JJCB CCOC(=O)Cn1c(C)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 409106848 PPWUGDLDORGVCY-UDWIEESQSA-N 480.567 4.617 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 409148744 RDMYHJYFGWAYLR-OEAKJJBVSA-N 486.597 4.501 10 40 JJCB C[C@@H](C(=O)O)n1ccc2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)ccc21 409193726 LANWKYRGWJSBEX-SFHVURJKSA-N 479.492 4.870 10 40 JJCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cccc1OC 409244354 BJZSFPMVDCHRKH-RZKQZQCBSA-N 452.576 4.827 10 40 JJCB C[C@@H]1S[C@@H](c2ccc(N(C)C)cc2)N(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1=O 1084175 MPLWESDNAKRVML-YBTHPKLGSA-N 488.824 4.786 10 40 JJCB O=S(=O)(Nc1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 1610496 AMGGWGJQYRRYAP-UHFFFAOYSA-N 457.360 4.595 10 40 JJCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 9210176 NSKLBYYWWAIRHO-KLUMOMIWSA-N 483.553 4.515 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9234956 CNIPZZGPWDTSCR-DSITVLBTSA-N 455.460 4.987 10 40 JJCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(c5ccc6c(c5)OCO6)SC4=NC3=O)cc2)c1 9291317 XISBXHUTIWEPEV-BGFGNXAESA-N 496.548 4.970 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 223348562 LWYJJYVAXCLAEA-ZEQRLZLVSA-N 472.570 4.953 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)nc1 223468384 WSLPPFOJPDMCEI-JWQCQUIFSA-N 454.603 4.760 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 250565391 CJBWOCOFPGOMDQ-RBZQAINGSA-N 483.495 4.644 10 40 JJCB COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 408981437 BGMBGJIICIFPSN-XGICHPGQSA-N 484.133 4.739 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 409242580 OVQVWYPOZQXGPH-CPNJWEJPSA-N 469.488 4.944 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)OC 409348605 PDJGWSIVLMYOKX-ZDLGFXPLSA-N 463.964 4.696 10 40 JJCB O=c1cc(C(F)(F)F)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c2o1 524730631 QEDRZBSAZITOEU-HUXRQEAXSA-N 474.523 4.912 10 40 JJCB biogenic CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 408900941 AISWOMGOBPCQSR-CXUHLZMHSA-N 477.742 4.851 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1[N+](=O)[O-] 409138770 HUQFOKUWHVFLOA-CIAFOILYSA-N 488.569 4.759 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409230323 YGDDQAAOLLJMTQ-CPNJWEJPSA-N 455.461 4.636 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OCC(=O)O 409338080 CRGZJYBVXSDWNP-NVNXTCNLSA-N 469.462 4.583 10 40 JJCB CSc1nnc2c(n1)O[C@H](c1cc(Br)cc(Br)c1O)Nc1ccccc1-2 3207975 VCMRLMMQATWREV-OAHLLOKOSA-N 496.184 4.994 10 40 JJCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 15013469 MHSOJJPGHDPDMY-YVLHZVERSA-N 458.967 4.702 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c(OC)c1 223563240 MSAWJJRDNIWPTH-VYVDHXHBSA-N 491.588 4.871 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 408586166 LQRNVVWIUHUMGL-YBEGLDIGSA-N 493.151 4.794 10 40 JJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409062998 FDIFKCPTEUFTKE-OPFCKLNOSA-N 453.347 4.999 10 40 JJCB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1Br 409328908 AFAQFMRASDAPMI-YVLHZVERSA-N 478.389 4.715 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(OCc2ccccc2)cc1 2218130 VRHZDUYGYGCLAC-UYRXBGFRSA-N 452.582 4.873 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 2703428 ALOGGYZHEGISPI-ODLFYWEKSA-N 461.524 4.571 10 40 JJCB CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2Br)C1=O)=C\c1ccccc1 8763549 DPFGWOIPAPQRCF-YMGXUNRSSA-N 459.390 4.942 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)CC2)cc1 9156444 NREWTPNCMCYTKF-UHFFFAOYSA-N 454.530 4.683 10 40 JJCB O=C1[C@H]2[C@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 9310730 RHOKYTRDWDMALC-HKBOAZHASA-N 498.362 4.817 10 40 JJCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(O)=NC1=S 59182287 NKAMYUYSFRDVMN-CPNJWEJPSA-N 453.951 4.861 10 40 JJCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)c(O)c1 59860017 LDSDCGSHJQTHKW-GZTJUZNOSA-N 472.339 4.816 10 40 JJCB COc1cccc(NC[C@@H](O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 101347678 SDVRLQGTPDLGTB-CYUILNSLSA-N 480.568 4.929 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 260895157 HBLLLVFSFNGESC-VXKWHMMOSA-N 483.678 4.509 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)cc1 408900082 RJZYZESMUZDQLC-KQWNVCNZSA-N 474.488 4.860 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCCC3)c12 409123449 GHUCOSGLCVZGLF-NDENLUEZSA-N 455.649 4.683 10 40 JJCB Cc1cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)n1-c1ccc2c(c1)OCCO2 2637858 XXZWGHZVWFXWTE-UHFFFAOYSA-N 466.843 4.582 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1 9232859 VEIZVUCIZZWEMC-YJFMCDHMSA-N 478.574 4.799 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223224549 JOUBCGUTXDBIGG-FTJBHMTQSA-N 461.679 4.976 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccccc1 409330295 KQWCOVZRWZOLQH-LICLKQGHSA-N 463.964 4.604 10 40 JJCB COc1ccc(N2CCN(c3c4c(nc5cc(-c6cc(OC)cc(OC)c6)nn35)CCCC4)CC2)cc1 1341755 FKXGUSGLXAVFSK-UHFFFAOYSA-N 499.615 4.628 10 40 JJCB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 9590609 PTBCCUHESNSSKO-RUZDIDTESA-N 495.000 4.969 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S 12468420 LMOQGIAEVJQTJY-XDHOZWIPSA-N 465.962 4.593 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1F 13943976 QZTJWRGPUYUUES-UNOMPAQXSA-N 480.879 4.733 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41107950 WQZNGCPKWJEGKL-JLFKZYKSSA-N 487.497 4.921 10 40 JJCB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1cccc(Cl)c1 408562015 WZJANLJZZVOUIP-UHFFFAOYSA-N 474.922 4.521 10 40 JJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408780133 SYSNHKRPLSYMBL-HBAFHOPNSA-N 490.600 4.662 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408961732 UZIFLGOEJWCTRS-SFQUDFHCSA-N 460.386 4.815 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OC 408970524 AVLHQJMDLVDECT-JYRVWZFOSA-N 455.230 4.815 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 409225169 JOOCBZHJJNKEKA-WOJGMQOQSA-N 456.445 4.699 10 40 JJCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)S3)CC2)c1 8441229 MEDFDWLOYUPXLV-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1-c1ccc2c(c1)OCCO2 9126231 LWVQHUKPMVSMGI-UHFFFAOYSA-N 461.543 4.814 10 40 JJCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 9428310 IYZRWSOXNHMGDF-XWCAUFEOSA-N 458.470 4.825 10 40 JJCB CCc1cc(C)cc(OCCOc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 9678806 FQWUBEJGCBPIAQ-BWAHOGKJSA-N 484.552 4.990 10 40 JJCB Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 13758509 NEUQGLOCJLANFR-MSYYJCCKSA-N 497.580 4.824 10 40 JJCB COc1ccc(N2CCN3c4ccccc4C[C@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@@H]3C2)cc1 25184685 MGYJKQTUAYBLTQ-LMSSTIIKSA-N 466.585 4.664 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc(C(=O)O)c2)c(Cl)c1 33783239 JDTCKRCRXSEYQS-ZDLGFXPLSA-N 483.307 4.732 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223055660 RHOLOGPICACVBB-DNQXCXABSA-N 450.608 4.507 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408783854 RTQKAGIPSDMYGX-UQQQWYQISA-N 488.584 4.700 10 40 JJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1 408875663 GUUGZHBPHZKODY-HYARGMPZSA-N 492.890 4.523 10 40 JJCB CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409020776 TWJSTJWGCABACW-XSFVSMFZSA-N 480.933 4.603 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC(C)C 409220528 BBEGXKLBCOVMLC-VIZOYTHASA-N 498.910 4.986 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 409235434 PXVJTFNZGIFCQN-BKUYFWCQSA-N 497.336 4.792 10 40 JJCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Br)c1 1265756 TXTYMOHZDSIJFP-BJXWFGTRSA-N 459.390 4.845 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 2224895 NVWZXIKIKKNPII-JCMHNJIXSA-N 476.579 4.820 10 40 JJCB CCOC(=O)c1oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c(=O)c1-c1ccc(OC)cc1 3653074 QQTWWOQRDDRKSV-MRXNPFEDSA-N 451.519 4.583 10 40 JJCB biogenic CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914348 NFRBGCUVLQMQAF-AREMUKBSSA-N 481.015 4.838 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 41082529 UAYDQOVUOHYWKV-NMESBGBPSA-N 481.936 4.955 10 40 JJCB C/C=C/Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc1Br 59565404 NTDMSOSBALFUKQ-JBVPZHDESA-N 487.375 4.592 10 40 JJCB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)cc1 214588167 ZQZQAQZVWIQGSX-RGVLZGJSSA-N 463.467 4.888 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc3ccccc23)c1 408809334 GYLPDKCCGGUMQX-MFKUBSTISA-N 494.503 4.799 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)NC2=S)c1 408967926 SVALIRRNCDFYGV-HZHRSRAPSA-N 473.598 4.887 10 40 JJCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c1C 408983926 OLSFIRSVUMHSOM-UNOMPAQXSA-N 478.888 4.670 10 40 JJCB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409212657 RIMLAWYAXVAQBN-YVLHZVERSA-N 463.895 4.678 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2433327 CPTZPSZSLGYIKE-KAECEXQPSA-N 455.536 4.626 10 40 JJCB O=C1C(=Cc2cc(Br)ccc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3130022 GTFVAEUEZYGYBV-UHFFFAOYSA-N 479.355 4.903 10 40 JJCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(C)c1 9404380 RHEXUBXNCFGXND-UDWIEESQSA-N 454.573 4.652 10 40 JJCB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 9891807 FRSALIPXDMWDSD-RVDMUPIBSA-N 464.890 4.831 10 40 JJCB COc1cc(C)ccc1OCCn1cccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 13750898 MMMMSNJZWLXFMM-HMMYKYKNSA-N 463.465 4.530 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(F)cc1 14132735 IBUHDRABOIDQEP-KGENOOAVSA-N 474.488 4.778 10 40 JJCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4cc(OCc5ccccc5)ccc34)CC2)cc1 20745010 XIDNVBCZOSCQHK-HHHXNRCGSA-N 471.557 4.703 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc(-c4sc(-c5ccc(F)cc5)nc4C)n[nH]3)CC2)cc1 38486474 LHNGSNSKYMGEEH-UHFFFAOYSA-N 477.565 4.619 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 222996295 XWFSYUSIHMCXHP-VXKWHMMOSA-N 457.043 4.986 10 40 JJCB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)O)c(OC)c1 408631558 FOOIGLIEYWURNU-MTJSOVHGSA-N 485.562 4.826 10 40 JJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O 409104497 FJOKTLFKPKZUSR-CXUHLZMHSA-N 452.317 4.755 10 40 JJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc3c(c2)OCO3)C1=O 1185414 NGEVRKXBVGXSCH-FZDVSRPBSA-N 452.557 4.592 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 9234548 DKKLRRUCMOQNHM-VXLYETTFSA-N 467.430 4.719 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC(C)C 9260396 OLTBVDDAYDUPNK-RQZCQDPDSA-N 458.967 4.584 10 40 JJCB Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 9361265 IAEDBDFSQGSMBZ-ZNDKUSCYSA-N 482.675 4.629 10 40 JJCB COc1ccc(CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H](C)Cc2cccs2)cc1 12800935 FOAMONWYBKVXCL-JOCHJYFZSA-N 493.673 4.547 10 40 JJCB CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 14182069 XVJDUGYGMISNFC-UHFFFAOYSA-N 486.637 4.701 10 40 JJCB Cc1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)o2)ccc1Br 33929337 XUBOKCMYWMEKBH-SFQUDFHCSA-N 457.324 4.812 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223271091 XISKFBREWHZWCN-KAYWLYCHSA-N 490.721 4.869 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(=O)O)c1 223499203 HMVVLUFXVVCWEW-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408773888 MVFPGWSVEALOPX-CQKAXJAZSA-N 496.563 4.820 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408810005 SXCFKYPAOUQIIF-PCLIKHOPSA-N 464.477 4.791 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1ccccc1Cl 408879759 DAKUEDULRQQRFT-FYJGNVAPSA-N 476.916 4.702 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 409235172 YUEILKASSCLHEU-LDADJPATSA-N 475.879 4.981 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(F)c4)C(=S)N=C3O)c2C)c1C 661167 OMCNSPLDROAWKJ-CIAFOILYSA-N 491.544 5.000 10 40 JJCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 8916759 ZTOWHRLVDAYILD-UHFFFAOYSA-N 454.979 4.974 10 40 JJCB CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccc(C(F)(F)F)cc21 12535252 RAHQRBLAAUUYPQ-UHFFFAOYSA-N 492.567 4.915 10 40 JJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 15229725 IUSVWAIIKPEYJY-FQGGWLGYSA-N 498.406 4.522 10 40 JJCB CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc2c1=O 19793159 VGAYRQZKEXRRFB-UHFFFAOYSA-N 465.424 4.541 10 40 JJCB biogenic,in-vitro CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C 222881048 ZPKBYKBJZKVFBW-DHIUTWEWSA-N 465.579 4.788 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 408983920 OJHAGEOJAFDINL-IWIPYMOSSA-N 494.507 4.827 10 40 JJCB CCOc1cc(OCC)c(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 409139639 CBPANKVVJKSKSE-GOSISDBHSA-N 481.437 4.613 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 1476389 GEPXSWUSCNFHMB-UNOMPAQXSA-N 477.991 4.994 10 40 JJCB CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nnc1-c1cnccn1 3355727 IHWGOFRLEAKJBM-UHFFFAOYSA-N 497.422 4.900 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 8819457 SXGUGUHNUCCNFC-ODLFYWEKSA-N 493.006 4.683 10 40 JJCB COc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccc(N(C)C)cc3)C2=O)c(OC)c1 15412983 VZWYUQMYMURFFM-HHHXNRCGSA-N 473.573 4.508 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223552438 FTPCFPGKZJTDDT-NIZGNDASSA-N 461.562 4.862 10 40 JJCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cc2c(cc1Br)OCO2 408741279 HXUCYGUBLNMXSR-XGICHPGQSA-N 450.082 4.922 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C)c1 408777485 ALDCESJAIWMILU-HYARGMPZSA-N 456.498 4.557 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408813587 UROHLBCMUKDDBQ-CIAFOILYSA-N 491.887 4.802 10 40 JJCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408883259 OXHUNKGIQFMSOQ-UHFFFAOYSA-N 485.776 4.539 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OCC 8431773 JOOSTKPTFWSXFG-YBFXNURJSA-N 476.451 4.852 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1 9309315 INIHUAXXTHZCGD-JFDFMHGASA-N 473.533 4.909 10 40 JJCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 14356620 OSPKETKWSIKRRR-OUZNOSRWSA-N 474.412 4.642 10 40 JJCB O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)C(O)=NC(=S)N1c1ccc(Br)cc1 16427944 TYLOPBYEPOGFJP-LFIBNONCSA-N 474.355 4.860 10 40 JJCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)cc1 101026343 GOPYGJAUHOZQFQ-VABKMULXSA-N 492.373 4.566 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314669 WFJGZRKHWAJPCO-BUUDZMLXSA-N 490.629 4.647 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408803473 PHNLYEPKVCHIMA-SDNWHVSQSA-N 463.715 4.558 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OC(C)C)c1 408810004 ORZQDABLJVHLST-BUVRLJJBSA-N 486.524 4.728 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408965084 GBSXLYJTCUQNBH-JLPGSUDCSA-N 470.573 4.923 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(O)=NC2=S)cc1 660423 FZBCJTJNNIACIB-LPYMAVHISA-N 461.543 4.783 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(O)=NC2=S)cc1 20025629 SIEJUTUWEKUJGP-BOPFTXTBSA-N 482.901 4.978 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33457565 QOHKHZVPBSRGLB-KPGQQLGZSA-N 491.407 4.663 10 40 JJCB CCCc1nnc(S)n1CC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 40150123 PZODDCRKRRYUMY-SFHVURJKSA-N 477.556 4.831 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 225505895 MXJMAXMVXUOLAG-SVBPBHIXSA-N 497.624 4.806 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 225734277 RGLOJIOJOFRURP-UHFFFAOYSA-N 452.557 4.505 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)NS(=O)(=O)c2ccccc2Br)c(Cl)c1 257338502 YXSOFWPVNBAGPN-UHFFFAOYSA-N 467.772 4.629 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1 408782333 HRBHMIKKPIXMHX-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 408886098 DGVGEWIBBITMTB-LFVJCYFKSA-N 464.477 4.791 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 408937070 MHPWSJDFGVQVAH-MOSHPQCFSA-N 491.887 4.802 10 40 JJCB Oc1c(CNCc2ccccc2)cc(CNCc2ccccc2)c(O)c1CNCc1ccccc1 1679808 QVWDWYNJUUKBGL-UHFFFAOYSA-N 467.613 4.967 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F 8383744 SULCSQNKSFOKCR-UYRXBGFRSA-N 466.921 4.889 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1 9293620 JQPTXEJZVBREAN-MXRTVKJZSA-N 455.543 4.770 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1 12363124 HNBWFUNMYNCGCR-PDGQHHTCSA-N 486.778 4.725 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 18043813 MJQICELWPUGOSS-SMIHKQSGSA-N 461.949 4.766 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 96297468 SRPBONRGTZUWMR-GSDHBNRESA-N 455.558 4.892 10 40 JJCB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)c(C(=O)OCC)c1C 101125171 HJTKXHLTOUCHRZ-LFIBNONCSA-N 475.954 4.782 10 40 JJCB Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1/N=N\c1ccccc1 104090932 PAQABCKKWSEBTJ-JOKXDOCYSA-N 474.510 4.668 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1O 110422501 YLINFOAMLKVSGA-IDUWFGFVSA-N 479.023 4.503 10 40 JJCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 223687970 ZTCCCSJQXZGFNE-DQEYMECFSA-N 462.619 4.587 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2ncccc2c1 408966001 KUQXJRWOHHLIJY-XSFVSMFZSA-N 470.529 4.613 10 40 JJCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409214249 WSRUICWDROIRNJ-JWHLFPLYSA-N 463.895 4.676 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Br)ccc4O)[C@@H]3C2=O)cc1 6142056 MCTZZBJYGKWRPP-BDTNDASRSA-N 479.330 4.514 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc4c5ccccc5n5c(=O)c6ccccc6c(n3)c45)CC2)cc1 8792432 CMPFXFQSAZBRMM-UHFFFAOYSA-N 488.547 4.563 10 40 JJCB biogenic O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2c(c1)OCO2 8819695 BAISIHPKQREMRS-MOSHPQCFSA-N 454.573 4.816 10 40 JJCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 13712842 WHFLVMOPEGCKJH-PXNMLYILSA-N 469.371 4.557 10 40 JJCB CCn1cc(/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)c2ccccc21 35191096 DPBNSHVIEHUCQF-BOPFTXTBSA-N 485.281 4.773 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 59594660 DSDPUNZJPCCETJ-LPYMAVHISA-N 489.597 4.559 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414985 VUAKJIPZLVFSSE-TZRRMPRUSA-N 465.505 4.505 10 40 JJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)cc1C(=O)OC 103919286 VRBSVNGIXWLFBT-HMAPJEAMSA-N 455.486 4.518 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223659285 HDFROZGQJHVAJS-ZEQRLZLVSA-N 499.036 4.687 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 408789872 OEQVBLFFPHBHFJ-KOEQRZSOSA-N 470.573 4.915 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 408790378 QUBYURPPVORSCH-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1 408940093 UCQAXNDXPIBOIF-HMAPJEAMSA-N 462.889 4.594 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Cl)cc1OC 409249825 LTDRGCHEVSCKDT-VGOFMYFVSA-N 465.358 4.540 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1I 409346860 OKUVZLUCXXXCOX-OVCLIPMQSA-N 471.316 4.845 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(Br)c1 8765629 OISVQRMOFVMLGS-YBEGLDIGSA-N 465.369 4.818 10 40 JJCB O=C(O)CCCCCCCCCCNC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 8870064 PSCFFHWFFNBPLT-CZIZESTLSA-N 476.664 4.990 10 40 JJCB Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1C 17052537 IKCSNDWEMPXRSL-NDEPHWFRSA-N 456.634 4.663 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1 408602906 OWWPZFMZSHXJLH-SFQUDFHCSA-N 454.841 4.804 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 408940909 VOMLTFBOXXNJQM-UDWIEESQSA-N 483.307 4.944 10 40 JJCB Cc1cc(=O)oc2cc(OC(=O)COc3ccc4c(-c5ccccc5)cc(=O)oc4c3)ccc12 1737612 AWCLQSJMDROZLG-UHFFFAOYSA-N 454.434 4.859 10 40 JJCB biogenic COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3c[nH]c4ccccc34)c2C)cc1 2661666 SGOFALPRHZSMFJ-UHFFFAOYSA-N 458.514 4.721 10 40 JJCB CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 12032285 ZWLJICFFQRRKDS-VAFHRPCXSA-N 467.454 4.832 10 40 JJCB O=C1/C(=C/c2cc(Br)c(Br)o2)C(O)=NC(=S)N1c1ccc(F)cc1 22710065 DLUFZZOFTXGBDI-BJMVGYQFSA-N 474.105 4.615 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(Br)c1OC 59861146 WVRKWBPVWBKNJO-RIYZIHGNSA-N 459.296 4.590 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Br 223268389 LAZCNQOUNRBHJL-DHIUTWEWSA-N 498.494 4.786 10 40 JJCB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 225518663 GKUYPBCPQBXVKX-UHFFFAOYSA-N 478.058 4.501 10 40 JJCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408584805 VJBSYTXCPNHHIW-UHFFFAOYSA-N 483.977 5.000 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1C 408929356 XEITXIJKLBBPRL-MTJSOVHGSA-N 476.510 4.937 10 40 JJCB COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2cccc(OC)c2OC)c1O 19325977 TVRWCPMIPLMPIG-UHFFFAOYSA-N 494.588 4.539 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Br)c1OCC(=O)O 33778440 XFPKIWIILOFYRR-NVNXTCNLSA-N 497.754 4.657 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc(Br)c1O 38168061 PCESNJFPFLDHJX-XFFZJAGNSA-N 465.687 4.714 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C/c4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)cc1OC 41083633 KVDVSUUFTJSZRG-UWXNJJNFSA-N 491.356 4.578 10 40 JJCB Cc1cc(OCCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1Cl 41085126 NZLHTIQOOQSWHR-OBIPOBMTSA-N 497.024 4.591 10 40 JJCB O=C1/C(=C/c2cc(Br)c(Br)o2)C(O)=NC(=S)N1c1ccccc1F 59105161 KRSZPAMUKKMFED-VMPITWQZSA-N 474.105 4.615 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc(Br)c1O 59861594 SFEIQDSMIUELNI-RIYZIHGNSA-N 459.296 4.677 10 40 JJCB O=C1C[C@@H](c2ccc(F)cc2Cl)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96220993 GRHYIKSMLZFBBL-LBPRGKRZSA-N 484.819 4.516 10 40 JJCB biogenic Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]23)cc1 101156902 HCLXKQQBAXTDEU-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O)NCc1ccccc1 408578165 WJDJUWGRYMIEQP-JCMHNJIXSA-N 460.580 4.788 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O 409055948 QMOQSESKXUOWBM-SXGWCWSVSA-N 450.379 4.873 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S)c1ccccc1 409180745 ZPNLUJXDNWSSOO-STZFKDTASA-N 464.543 4.951 10 40 JJCB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 95393422 JLZYOXVPSOBRAM-ZNZIZOMTSA-N 471.557 4.511 10 40 JJCB CCCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O 408835012 XREZYEXAAYJQII-DHDCSXOGSA-N 482.842 4.823 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 408848205 QSVYLUSQVIQURR-FYJGNVAPSA-N 495.304 4.834 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 409409668 WGDVOGFFKWTKJZ-UNOMPAQXSA-N 466.896 4.918 10 40 JJCB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 9444686 PNIQEEXBWKOYNP-QGOAFFKASA-N 474.991 4.747 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 33759363 VNZVRXFZAXKJMK-NDENLUEZSA-N 466.896 4.918 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)c(OC)c1 223491717 CWGHVNHPDWKZDA-FYJGNVAPSA-N 489.572 4.781 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl 408801874 WGNKUDGJGMRKQQ-DEDYPNTBSA-N 462.889 4.594 10 40 JJCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCC(=O)Nc1ccc(C)cc1 408904913 QHUATAORKGCNNT-XQNSMLJCSA-N 455.514 4.827 10 40 JJCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)c1 408997233 MERDOCHLGGFRCA-GZTJUZNOSA-N 499.342 4.868 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409057193 UUSVRNRORCNIKT-UHFFFAOYSA-N 471.560 4.897 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(C)c1 409128203 DWWULTHEGRIPCU-WJDWOHSUSA-N 481.917 4.956 10 40 JJCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 409137718 YPDNTCQXNUAGSW-UCQKPKSFSA-N 493.654 4.920 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 1476415 RSOUTWHIVWJWGV-UNOMPAQXSA-N 477.991 4.994 10 40 JJCB Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2202987 NZCAHWYENQNORT-BOPFTXTBSA-N 453.614 4.764 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1 8734933 RBTOEGPKRYDGQZ-VWLOTQADSA-N 452.514 4.951 10 40 JJCB CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8833877 CGPJUWOJQDCFTB-IGCAKMCNSA-N 474.648 4.968 10 40 JJCB COc1ccc(OC)c(S(=O)(=O)Nc2cc(SC3=NCCS3)c(O)c3ccccc23)c1 8870460 SERNTQMHANCYCZ-UHFFFAOYSA-N 476.601 4.558 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O 9233185 JROQCBJHSOUWTJ-STZFKDTASA-N 480.546 4.569 10 40 JJCB Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1-c1ccc2c(c1)OCO2 9724260 NMXASJKXPABQMP-QHCPKHFHSA-N 491.525 4.693 10 40 JJCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1 13757953 DFZSPYYUOSNLDT-GNASCUAASA-N 474.586 4.627 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]23)cc1 18276803 HCLXKQQBAXTDEU-XPWALMASSA-N 485.923 4.652 10 40 JJCB Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1Br 21359432 OAMQRKCPWYOQQB-UHFFFAOYSA-N 461.381 4.537 10 40 JJCB O=C1N=C(O)/C(=C\c2cccc(Br)c2)C(=O)N1c1cccc(Br)c1 59198344 VUNZSCOXSATMLZ-RIYZIHGNSA-N 450.086 4.718 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)C(=O)NC2=S)c1 108933055 FVWGFOCOUNWOGO-XKYMITNMSA-N 488.993 4.756 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C 208316911 WIWFHQORQYYRQN-FEMWLQECSA-N 461.562 4.782 10 40 JJCB CCc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccccc2)cc1 225036072 ODWVNLSBDJZVPR-UHFFFAOYSA-N 479.646 4.607 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 257261826 LIYINALXGYULBL-NRFANRHFSA-N 459.590 4.565 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)NC(C)C 408598369 ZMMYHOQINYWEAJ-UHFFFAOYSA-N 470.978 4.818 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 408740110 IGPNUHNJDKJGBZ-KGENOOAVSA-N 477.314 4.695 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 408900830 XVKBHLHJIFXVSO-DEDYPNTBSA-N 462.889 4.594 10 40 JJCB Cc1cccc(Cn2c(C)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 409100860 VOMZYRYTGTWBHS-FYJGNVAPSA-N 450.585 4.982 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 409235971 DOKDTBFMVSUVJV-GHRIWEEISA-N 463.481 4.510 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)c(C)c1 409244251 ACNZJNVZNBMXHH-SFQUDFHCSA-N 480.929 4.526 10 40 JJCB Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(C)c1 1237758 NWWSLXVYDVUGBO-ODLFYWEKSA-N 454.573 4.571 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1 8450468 NMRSAALOOLJJDX-BUVRLJJBSA-N 464.525 4.926 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3\CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2Cl)c(C)c1 12848934 VAPJETOPJYSKSC-LFIBNONCSA-N 460.921 4.803 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 13881403 DJFFCDUFQWMZSM-QRVIBDJDSA-N 495.601 4.596 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 90443216 MJQICELWPUGOSS-HJOGWXRNSA-N 461.949 4.766 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(Cl)c1 408807761 OQISLGMWYJSTBU-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 408931551 NBDSCPXZTXJROM-JAIQZWGSSA-N 480.473 4.767 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408954554 RIUSNOGBRFBODX-IUXPMGMMSA-N 498.322 4.796 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1Cl 408983725 HIKISLQYBOBLGO-RGVLZGJSSA-N 478.892 4.631 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)N(CC(=O)OC)C2=S)cc1 409144013 NAWBZLPOJJPGRX-HAHDFKILSA-N 481.618 4.766 10 40 JJCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 409345840 LOYPTVLLOTZAEY-RQZCQDPDSA-N 466.378 4.881 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S 1239101 CMVOBYALBXTOFG-NCUBORBFSA-N 492.416 4.791 10 40 JJCB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cnc2ccccn2c1=O 40145557 MYVXLMFOCXIIAN-FQEVSTJZSA-N 466.463 4.620 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 41084713 INJUMANABDSMDV-ICALIKLASA-N 489.601 4.645 10 40 JJCB O=C1C[C@H](c2ccc3ncccc3c2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115647 NKCYPRNFHYRVEP-QGZVFWFLSA-N 451.434 4.860 10 40 JJCB biogenic CCN(CC)c1ccc(C=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 108677759 ZQHUHZIRSXDBHZ-UHFFFAOYSA-N 455.601 4.779 10 40 JJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408767061 VGFPIMNFMOHEOR-CPNJWEJPSA-N 479.330 4.976 10 40 JJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408942966 RJCSXKCUFLOZKM-PCLIKHOPSA-N 493.475 4.993 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S 2119617 MLYJQALAWVQLEE-LZYBPNLTSA-N 498.807 4.967 10 40 JJCB CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1 8983367 LJYLZLUFEXTWCG-UYAJQHSGSA-N 473.327 4.806 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 9234958 CNIPZZGPWDTSCR-SDHOMARFSA-N 455.460 4.987 10 40 JJCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 20207354 TYZAEAIQIPFOBT-YTDNRYEMSA-N 497.385 4.653 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1F 40006361 FVDPABXQXQJHNA-WCEBZYJUSA-N 459.564 4.794 10 40 JJCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100512858 SJMOHJFCZHUNAC-ACRUOGEOSA-N 492.314 4.689 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1Cc1ccccc1 102760944 RZOPRTLUUCKVMN-KCZVDYSFSA-N 469.324 4.746 10 40 JJCB O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1 113836007 PKJPPKFOKLUANA-WOJGMQOQSA-N 452.469 4.959 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 223308860 DXKOGGNHCRRVTJ-TUACAJSNSA-N 450.583 4.780 10 40 JJCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225517575 FYOWDSQHQVNLHK-OAQYLSRUSA-N 486.465 4.701 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 408869133 QWTSMGLNXOAAEH-PDGQHHTCSA-N 468.843 4.864 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 408991024 YQQXGGMJPCIABB-JCMHNJIXSA-N 456.498 4.503 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 409109139 YITUCJVMJZLZRK-XKZIYDEJSA-N 462.937 4.587 10 40 JJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC)C2=O)cc1OCC 409189298 OYKWKAFTLCLZPC-XMHGGMMESA-N 486.952 4.588 10 40 JJCB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409335619 XVDBUXOPZNMDEE-SXGWCWSVSA-N 482.352 4.546 10 40 JJCB O=C(COC(=O)c1c(F)cccc1Cl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9335183 ZKEDZDHFSPJJER-UHFFFAOYSA-N 472.255 4.703 10 40 JJCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O 13804487 YRJJLAGRSUMRBJ-ONTIZHBOSA-N 485.323 4.759 10 40 JJCB CN1/C(=C/c2cc3[n+](cn2)C(=O)[C@@H]([C@@H]2Sc4ccccc4N2C)S3)Sc2ccccc21 16189265 ADHBJYBYDYEKCD-GMAHTHKFSA-N 463.633 4.592 10 40 JJCB CCc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1 22854980 LQPPVSBQVBZARL-QHCPKHFHSA-N 477.634 4.541 10 40 JJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41108144 JETKTOIZZBLRCN-RQUXIJKASA-N 487.497 4.839 10 40 JJCB Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1Br 49003830 WLYBOKXXWSWIBF-UHFFFAOYSA-N 475.408 4.783 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c1C 408757284 XXFVXTIXDGMWSB-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)c(OC)cc1Cl 408835801 YFMYMEBVISGWHR-WOJGMQOQSA-N 494.931 4.964 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2Cl)c1 408877448 VYOSAOZTPQCPFW-QNGOZBTKSA-N 462.958 4.771 10 40 JJCB O=C1N2CCC[C@@H]2COc2ccccc2CCCCC12CCN(Cc1cccc(F)c1O)CC2 643563075 KXIIPCZLIIPPQQ-HSZRJFAPSA-N 466.597 4.910 10 40 JJCB COC(=O)c1c(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CC[C@H](C)C2 2889884 GARWZEOFRNWCJZ-SCLBCKFNSA-N 463.559 4.574 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 3642058 YWFUDFOXBPTTDK-LSCVHKIXSA-N 460.939 4.768 10 40 JJCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Br)cc1 14011298 MGLFUOQPVZSDLE-NDENLUEZSA-N 450.361 4.627 10 40 JJCB O=C(Nc1ccc(NC(=O)/C(Cl)=C\Cl)c2c1C(=O)c1ccccc1C2=O)/C(Cl)=C\Cl 17424938 PRDDPENSZKQXJK-MKICQXMISA-N 484.122 4.977 10 40 JJCB COc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)o2)cc1 20324496 PLPDSCBFFLLHOO-UYRXBGFRSA-N 450.472 4.955 10 40 JJCB O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)N1CCCC1 408578579 YYQMSHXGDGZAAO-UYRXBGFRSA-N 458.992 4.747 10 40 JJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC 408587076 PVPRBOBTNVVTSF-BOPFTXTBSA-N 457.910 4.633 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(C)c(C)c2)c1 408803602 RAGHEBWDVUUPFY-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OC 409040007 SCOMDAHQDFVFSF-WTKPLQERSA-N 491.210 4.968 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 977478 GGFQJGDPURNHAR-MOSHPQCFSA-N 480.387 4.688 10 40 JJCB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1N1C(=O)c2ccccc2C1=O 1383255 DPEQZTHRLMHKOR-STZFKDTASA-N 472.547 4.678 10 40 JJCB O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccco1 9015758 IKLLEPFCHMJQSG-PXLXIMEGSA-N 455.470 4.816 10 40 JJCB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 13096319 ZZBZUJMUJCJTNM-UHFFFAOYSA-N 494.378 4.530 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 16734680 NKSINOVBGOHTIM-SYERDGIWSA-N 478.643 4.923 10 40 JJCB COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238571 VTHVDFVHSSHDAH-YVLHZVERSA-N 451.366 4.509 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1 30765760 DXERLRJBQQZITH-WPTKKBASSA-N 450.520 4.789 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 101113973 HIGGDQSQDHUKBE-XDHOZWIPSA-N 489.329 4.547 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 409234407 ZVCQCAUGJXXSQS-HYARGMPZSA-N 459.571 4.551 10 40 JJCB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 409335186 ZHQMMJIJKQMKON-YVLHZVERSA-N 478.389 4.715 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 8820001 HONVWJFHZXVSNE-NDENLUEZSA-N 498.582 4.514 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SCC)SC4=NC3=O)c2C)cc1 9210230 NRILIDQFDCYABA-VKGGKSIRSA-N 453.593 4.823 10 40 JJCB Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc(C(C)C)cc1 13039262 VVMPQDHLRDCXML-DHIUTWEWSA-N 478.589 4.509 10 40 JJCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 20462127 UTOFNPYFPSPHJU-KQWNVCNZSA-N 474.542 4.643 10 40 JJCB Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)cc1 41084812 RAWWFCDJYNCYJD-JSIBOBQWSA-N 451.577 4.802 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)cc1 41084848 BFUIEZAMUCWGBM-HTWVIFJXSA-N 476.606 4.555 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 223350539 ZAFRICYIWHCTQR-JWQCQUIFSA-N 472.570 4.984 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1cccc(F)c1 408885145 XFLGQHGBBOIGIN-HYARGMPZSA-N 458.489 4.708 10 40 JJCB COc1ccc2c3c(n(CCCc4nc(-c5ccco5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604405213 NFONEXUDGGBBTR-UHFFFAOYSA-N 483.480 4.506 10 40 JJCB biogenic COc1ccc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1OC 2446501 BKSQMAOUEKUQDM-MOSHPQCFSA-N 477.508 4.515 10 40 JJCB COc1ccccc1N1CC(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(N(C)C)cc2)C1=O 9130153 OKOCYDPMTWEJIG-DEOSSOPVSA-N 494.389 4.645 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)c1 12223371 ZAWVAUVLJJZEMF-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB O=C1C[C@@H](c2cccc3cccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114984 PXUGWAPUWKNQHT-KRWDZBQOSA-N 451.434 4.860 10 40 JJCB biogenic CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1cccc2ccccc12 104124134 BXHMMJAQLFVDHE-USTXVIIHSA-N 487.541 4.716 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 408776215 VIZVFITVOVYNFA-OEAKJJBVSA-N 480.480 4.573 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC 408777111 VKPDKEHQFDHNBO-OQLLNIDSSA-N 493.741 4.566 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1O 409041756 VNFABKFYVVNELJ-FPYGCLRLSA-N 477.183 4.665 10 40 JJCB CCOc1cc(Br)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OCC 409143388 LZIXQBYSEKJZMY-WQRHYEAKSA-N 475.364 4.647 10 40 JJCB Cc1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)ccc1Br 409162456 VLEIZEFBODNTDS-LDADJPATSA-N 465.303 4.680 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821849 IUDIQGAJYKEUBF-CJLVFECKSA-N 460.515 4.647 10 40 JJCB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 9590607 PTBCCUHESNSSKO-VWLOTQADSA-N 495.000 4.969 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)cc1 27755602 HZWFQDGQJIIUBH-HSZRJFAPSA-N 450.604 4.516 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414983 VUAKJIPZLVFSSE-SGNDLWITSA-N 465.505 4.505 10 40 JJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 408802670 FXDOTPVRUCAFHB-MHWRWJLKSA-N 487.350 4.530 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 408897046 PYNYEMUTGGKRHY-ZHZULCJRSA-N 476.529 4.635 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1Cl 408985703 XUWXHBAQUMBNNL-WQRHYEAKSA-N 464.861 4.581 10 40 JJCB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1Br 409330308 KQCHAUKLSSTZQJ-SXGWCWSVSA-N 482.352 4.546 10 40 JJCB O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O)Nc1ccccc1 409349481 QKWVTBGYMOFMPY-WSDLNYQXSA-N 490.562 4.839 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1 8921358 KOCPMMHQBFDHDE-LXEXHQCYSA-N 482.949 4.987 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 9089903 ATAIQLAAFSDANW-ITHJLQSDSA-N 465.638 4.848 10 40 JJCB biogenic,in-vitro Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)n1-c1ccccc1 13146209 OCNIGFVAUPOJKM-UHFFFAOYSA-N 494.613 4.699 10 40 JJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 16694243 YRVQTAROGUVICU-JCMHNJIXSA-N 466.950 4.859 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(OC)cc1 33430296 VTAGAPMYTFUPDY-QNGOZBTKSA-N 459.589 4.773 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 38204397 XACIPRDMHKFTMX-UQQQWYQISA-N 483.520 4.929 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C 208524990 BUWHQJLBLVZMPP-HYARGMPZSA-N 459.546 4.692 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1C 409142143 LKUKXYDJALRBHH-WJDWOHSUSA-N 481.917 4.956 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)NC1=S 409228970 HXCISTSYDALCTF-SFQUDFHCSA-N 467.344 4.849 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)cc1 2385078 LQLSAGROPGFKCF-JAIQZWGSSA-N 471.410 4.918 10 40 JJCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccc(Cl)cc1 13779108 KBNJRCDQXSCABO-QHAWAJNXSA-N 499.748 4.859 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(C)cc1 40006357 GJMPMDDUYBYDFY-CVHFWEDTSA-N 455.601 4.963 10 40 JJCB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1ccccc1 100595366 FMXXKQPNYONAHS-ACRUOGEOSA-N 499.748 4.859 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c1 215006781 AZHATJXXEDJDGV-YBFXNURJSA-N 450.428 4.790 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 223308968 DXKOGGNHCRRVTJ-NKKJXINNSA-N 450.583 4.780 10 40 JJCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 223311005 UOABBPLISJGJQQ-GPUOULLFSA-N 462.619 4.649 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260803062 ZXALRZHAJSQUGX-ROUUACIJSA-N 473.664 4.920 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408900802 VEKZKCBRBRWMLL-LZNAANCOSA-N 471.351 4.910 10 40 JJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C1=O)OCO2 408947416 CLNPGBXBQIFOLP-AUEPDCJTSA-N 484.552 4.858 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c(C)c1 409008953 PFYKATIDQRRNLC-CPNJWEJPSA-N 480.387 4.688 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 409351833 ZLRMOVBPAUHTCR-HYARGMPZSA-N 461.543 4.778 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 654572 VUTKIPBAXXBPPC-JLPGSUDCSA-N 486.499 4.720 10 40 JJCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 13562305 AKZYPWKXNAOCST-UHFFFAOYSA-N 487.025 4.529 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 16001269 MTFIUQRMLGDFCN-ISJGIBHGSA-N 455.460 4.987 10 40 JJCB CCOc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17307601 KOQYPSNSXBVMAJ-MUUNZHRXSA-N 457.618 4.610 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1Br 408854519 HGSYRSPILJPRAZ-CSKARUKUSA-N 456.148 4.587 10 40 JJCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(F)cc1 409123265 BIQKNDDVYMGIAF-HMAPJEAMSA-N 462.502 4.814 10 40 JJCB CCn1c(SCC(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nnc1-c1ccco1 9127021 AQLXOOZREGMOGH-UHFFFAOYSA-N 482.537 4.623 10 40 JJCB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)c1 10112167 BYSBLPGARRYIQE-UHFFFAOYSA-N 477.630 4.943 10 40 JJCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 13748654 NCJUXNJMGOTJNK-UZYVYHOESA-N 492.670 4.765 10 40 JJCB CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N(CC)C1=S 32124640 DGZCYJLPNXMYGS-UHFFFAOYSA-N 475.979 4.778 10 40 JJCB CCCc1nn2c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470277 WDSSBYJHAIULDF-KVFOIDOZSA-N 489.508 4.592 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222860874 IGUQKIPGBKENQW-IZZNHLLZSA-N 475.662 4.708 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 223060491 NUQQQTOINAWTCL-BJKOFHAPSA-N 478.618 4.505 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc2ccccc12 223614045 UZQGUPFKDBGASL-FTJBHMTQSA-N 456.615 4.997 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccc3cnccc23)C1 257284403 PCOGEWADXKBPQY-OAQYLSRUSA-N 459.590 4.565 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)OC(C)C 408601178 IXISFWXMHVBPHA-YBFXNURJSA-N 461.536 4.571 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(C)C)C2=O)cc1 408901441 YEFSKSMSLSNISH-UYRXBGFRSA-N 487.350 4.692 10 40 JJCB COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409081829 QLCRREGGHXWLOJ-RYPVXOHGSA-N 493.242 4.600 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)cc(Cl)c1OCc1ccccc1F 409149524 IZHUEZCPMCPTCD-LJQANCHMSA-N 484.014 4.875 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1NC(=O)c1ccccc1 409212867 RFHYUKGCFIITEC-NHDPSOOVSA-N 483.355 4.889 10 40 JJCB COc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1OC 3361387 SVFMGVGJABGHSS-UHFFFAOYSA-N 459.445 4.752 10 40 JJCB CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 6860726 HMFIIBUVYXTAEE-ZHZULCJRSA-N 486.615 4.505 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Cl 59136060 UANPIVUIGQISJG-KPKJPENVSA-N 497.331 4.746 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)nc1 409107239 QFFSGYGGJFGJCJ-WOJGMQOQSA-N 464.978 4.591 10 40 JJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c2ccccc21 409193592 HITKOXPWEQRFFY-XQNSMLJCSA-N 472.545 4.746 10 40 JJCB COCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 2298373 JLLYOFSVPDYCGQ-CPNJWEJPSA-N 453.541 4.808 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 8870012 YGOSBJVQBRYEAT-XMHGGMMESA-N 454.573 4.727 10 40 JJCB CN1/C(=C/c2cc3[n+](cn2)C(=O)[C@@H]([C@H]2Sc4ccccc4N2C)S3)Sc2ccccc21 16189263 ADHBJYBYDYEKCD-JTHBVZDNSA-N 463.633 4.592 10 40 JJCB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 17270274 LDFMRHYXTGDTQD-UHFFFAOYSA-N 490.581 4.525 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3cc(C)ccc3C)C(=O)N=C2O)cc(Br)c1OC 33317553 KELHPDDQCWEPGJ-ZSOIEALJSA-N 459.296 4.590 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1F 408773798 SSQPZUXSZYRWHO-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1 408904615 MFMASJDHTGXUNZ-HZHRSRAPSA-N 455.514 4.827 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1 409232076 NVMOVLRYSQNROR-CPNJWEJPSA-N 480.387 4.688 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 8820069 YCFYASCOFGMKMV-HKWRFOASSA-N 484.599 4.579 10 40 JJCB O=C(O)CCCCCCCCCCNC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 8870059 MUAQFKTUTWKHNV-MNDPQUGUSA-N 462.637 4.600 10 40 JJCB CN1C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)cc2)SC1=S 9236627 UKXRYYKMVQLGTI-MHWRWJLKSA-N 467.353 4.701 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(Cl)cc4)c3)C2=O)cc1 13881263 RRXYQBZWTATSBM-JCMHNJIXSA-N 474.900 4.788 10 40 JJCB COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc(OC)c1OC 22418964 CDXJQUNOPJHWOG-XMMPIXPASA-N 490.604 4.704 10 40 JJCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c(C)c2cc1Cl 27991773 XQWYAXBAJKWEFA-IBGZPJMESA-N 475.010 4.599 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 33658251 HDNKPIIKUXDSGE-ZDLGFXPLSA-N 484.295 4.942 10 40 JJCB COc1ccccc1OCCCn1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 41078273 OCUQCBOSURVFNX-NOHFHRCMSA-N 456.502 4.569 10 40 JJCB CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1OC 59860878 KIDNMJYLOPJMDQ-XNTDXEJSSA-N 459.296 4.672 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc2c(c1)OCO2 223501837 UJMHOHFXQZBJAS-IZZNHLLZSA-N 483.597 4.786 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccc(OCC)cc34)C2=O)cc1 408784761 SNHPGNDXEQSIPD-XQNSMLJCSA-N 474.513 4.702 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 408809791 JDVLBIDMXGPXRO-OEAKJJBVSA-N 485.540 4.669 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1 409011810 HUNCLBPZSNBKJM-OEAKJJBVSA-N 459.571 4.551 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc(Br)c1OC 409147027 VYOMCPHQEWAVPK-GOSISDBHSA-N 496.448 4.837 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409237215 IKLAXWHXHLXVCU-RAXLEYEMSA-N 488.308 4.993 10 40 JJCB Cc1cccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(C)c(C)c4)c3C)n2CC(N)=O)c1 9220886 RSTFGTONVBOXCI-UHFFFAOYSA-N 487.629 4.738 10 40 JJCB COc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1OC 13547490 KWXVEEYRIGDXCC-JWGURIENSA-N 452.576 4.637 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CNc2ccccc2)c2ccccc12 101350379 IDNAHYRVBUHDDL-RGXRWQALSA-N 450.542 4.920 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2occ(C)c2C)cc1 104090788 VTBIFCVXKRUQCC-BBJJLJPOSA-N 451.508 4.572 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O 408874329 AELCQMUCGDXWPS-JCMHNJIXSA-N 470.525 4.811 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 408938359 QELKSYRBXXUBLV-UYRXBGFRSA-N 450.853 4.725 10 40 JJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 409011337 GDGQSOKESWBPCX-GNFOSXPUSA-N 469.607 4.928 10 40 JJCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 409022641 FBLGGXCSEXUMRF-CIAFOILYSA-N 473.504 4.799 10 40 JJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 409108747 VQRONYMYAAYLFV-RVDMUPIBSA-N 485.279 4.706 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c(C)c1 409134432 SPSLSVFALIDDCD-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409136152 SYLVISLOHNILRN-BKUYFWCQSA-N 464.572 4.841 10 40 JJCB O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc2c(c1)OCO2 409339571 WJCPXNMTIGLNBL-RGVLZGJSSA-N 465.512 4.579 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1ccc(F)cc1 3451516 LUXPUAFVGMBTKK-UHFFFAOYSA-N 451.479 4.987 10 40 JJCB aggregator COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 9348167 ZXXQMEORGHJLAC-PGMHBOJBSA-N 496.654 4.892 10 40 JJCB CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 12017085 DKCHGTLMMWWRBC-FQHLDWHWSA-N 452.557 4.561 10 40 JJCB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1 13632101 CPXWADYDAYYNKP-UHFFFAOYSA-N 477.630 4.740 10 40 JJCB CC1=NN2C(=N)/C(=C/c3cn(CCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1 27549534 KWUFWNWSGCMUJC-PEODKBGFSA-N 457.559 4.976 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2cccc4ccccc24)OC32C(=O)c3ccccc3C2=O)cc1 101483291 ZSENKXVEMHFTBR-TWJOJJKGSA-N 487.511 4.843 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222816010 UDBWDFGVNKXQPX-UIOOFZCWSA-N 475.662 4.707 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 408968511 ZWUUTYFMYGJHMH-WQRHYEAKSA-N 453.926 4.718 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc(OC)c1OC 8871670 FKIZIUIUXDVBAZ-MOSHPQCFSA-N 486.615 4.559 10 40 JJCB N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 9210236 YNCQCCZTYGCUNE-NFLXFJMZSA-N 462.538 4.752 10 40 JJCB CCCCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC 27020070 XCTWXDDBISAIPU-MOHJPFBDSA-N 465.619 4.662 10 40 JJCB O=C(C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 49003882 SCHJMGPLVPGUPH-UHFFFAOYSA-N 472.872 4.628 10 40 JJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101142682 KVOFLQAVZKNDBL-NJDAHSKKSA-N 492.314 4.689 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223652259 KVKGYDRTYANGOH-GOTSBHOMSA-N 469.010 4.678 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(F)c1 260924266 SWWDKCDYQCXNKX-AGILITTLSA-N 450.583 4.780 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Br)cc2)cc1 408845698 QZFJNUOORKVVRI-KGENOOAVSA-N 477.314 4.990 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(F)c1 408848358 YFCIIQMEPOOLCV-LPYMAVHISA-N 474.488 4.697 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F 409241870 SMWVTXSGUDPHGM-WOJGMQOQSA-N 477.483 4.666 10 40 JJCB CC[C@H](C)C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 8670261 UMHWCORTPWZKGU-LBPRGKRZSA-N 491.656 4.934 10 40 JJCB aggregator CCCCOc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 8828399 BOAOGFINUSPYBY-AFDUHFSSSA-N 471.600 4.771 10 40 JJCB CC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1 8985914 RYNKHWGIOUQSII-FEGZGKEQSA-N 457.559 4.976 10 40 JJCB O=C1/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 9233124 DNUWYOYHANGCMA-RGVLZGJSSA-N 469.544 4.720 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 9461864 XIIBFHCGUOYAAU-NDENLUEZSA-N 478.643 4.781 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC(C)C 14133168 MFKOUABAPJJACZ-MHWRWJLKSA-N 487.350 4.610 10 40 JJCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)c1C 106757292 YIIMYOWPEJRNLW-HMAPJEAMSA-N 451.592 4.760 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)nc1 223504807 GVLBFOQDCOTOFB-RPBOFIJWSA-N 454.603 4.760 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223659394 HDFROZGQJHVAJS-BJKOFHAPSA-N 499.036 4.687 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccc(C)cc2)c1 408797022 FLTKGTNQAYLRDH-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3ccccc32)CC1 409124259 AUMHKVNKLKBSCP-QRVIBDJDSA-N 490.654 4.696 10 40 JJCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409127808 JYADZAVYPORISF-QRAWFLTRSA-N 490.654 4.839 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 409152868 KGPCZNMYWHQPLQ-JAIQZWGSSA-N 480.473 4.767 10 40 JJCB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c3ccccc32)c1 409196278 VENOLSBTPTXVNB-OEAKJJBVSA-N 495.560 4.528 10 40 JJCB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4ccc(C(=O)O)cc4s3)C2=O)cc1 1082578 KTYJATZNTXEAIR-MOSHPQCFSA-N 455.495 4.838 10 40 JJCB Cc1nc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)sc1CC(N)=O 9910098 YHOWZHHNBJFUQG-AWEZNQCLSA-N 479.574 4.852 10 40 JJCB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ncc(-c2ccccc2)n1C 19355891 FXCDCGZCBDQDHS-UHFFFAOYSA-N 453.593 4.730 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccccc1 26687020 VNWOIVHPEFPQHH-MOSHPQCFSA-N 451.525 4.909 10 40 JJCB COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 40940377 OLLDNCUGCQKBFZ-OQLLNIDSSA-N 483.796 4.657 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(C(=O)O)cc1 223463333 WKUSTFLBJAZCON-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB COc1c(I)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] 408740701 DJRYGOQKEGKHBM-WUXMJOGZSA-N 483.645 4.843 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)O 408902423 NLCSAFXPMISVDU-RQZCQDPDSA-N 494.388 4.717 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408950396 JTNHGLLQFRDCEX-ZVHZXABRSA-N 492.487 4.814 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1Br 409233425 KJDZHGLWIWOURM-DEDYPNTBSA-N 450.336 4.950 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2c1 409243912 YWXXWEOKLQEQKB-XDHOZWIPSA-N 466.946 4.650 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CC2)cc1 8721385 YMVGKQIAJLVYRR-UHFFFAOYSA-N 464.566 4.565 10 40 JJCB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8882760 LOIKVTUGLFXTDD-KRWDZBQOSA-N 496.592 4.784 10 40 JJCB COc1ccc(CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)Cc2cccs2)cc1 12800927 FOAMONWYBKVXCL-QFIPXVFZSA-N 493.673 4.547 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35043023 KACIOKACPHGNEX-JCMHNJIXSA-N 478.505 4.786 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cc(Cl)ccc1O 223218425 LIFMPUICTVVHAM-RPWUZVMVSA-N 484.069 4.772 10 40 JJCB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c(C)c1 408553103 XHIXPVUVZMCLIN-FYJGNVAPSA-N 451.592 4.678 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccc(Cl)cc1 409208669 DNVVAGDYRWRYAM-YBFXNURJSA-N 482.901 4.973 10 40 JJCB N=C1/C(=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)C(=O)N=C2SC(c3cccs3)=NN12 8495578 ZTAKUHCUVVVSGU-IDSPKZQESA-N 476.514 4.774 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1 9144523 JXJTZWKENBTVIR-WAPYETIASA-N 454.939 4.957 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 16732685 APGPGBWJRQYGQK-YIYXVTKBSA-N 479.627 4.659 10 40 JJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21 208444425 BACBXBKNGMIXOC-XDHOZWIPSA-N 496.430 4.912 10 40 JJCB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956489 HYXMTTFSCKEUEQ-MRXNPFEDSA-N 478.588 4.961 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 408724539 BFKGVPZOVWUSBZ-ZHZULCJRSA-N 476.916 4.984 10 40 JJCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 408766263 AYYHHLVBEGAOMN-CIAFOILYSA-N 482.403 4.781 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408815371 HMTCKXRBJOXZLO-GIJQJNRQSA-N 455.848 4.692 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1 408876894 RNBUVTZUHVNDQK-BUVRLJJBSA-N 454.526 4.878 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccccc2F)c1 408885576 CFRCOQGHZPEZEX-LPYMAVHISA-N 474.488 4.697 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1Br 408914976 SMJJTKIVFSEOHV-WOJGMQOQSA-N 482.309 4.662 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N=C1S 9313326 VQTKYSQZNJSBED-JPVKTXQWSA-N 453.995 4.739 10 40 JJCB Cc1nc(Cc2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)o2)cs1 9584366 JCAGULKVMPNWCJ-UHFFFAOYSA-N 482.587 4.579 10 40 JJCB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cc(Br)cc(OC)c2O)c1 12534775 VDWBIOMDWZVCSI-OAQYLSRUSA-N 455.308 4.943 10 40 JJCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc2ccccc12 100327036 DMRDWXZVPTTZTC-DSNGMDLFSA-N 473.484 4.535 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl 408773813 TVTOVZJOMHVWPG-NTEUORMPSA-N 479.783 4.641 10 40 JJCB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)c1 408785348 WQGQKAPUBJYSRU-XDHOZWIPSA-N 478.888 4.670 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1 408800283 LMVJDEGWFQNPHG-XMHGGMMESA-N 476.916 4.984 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 408871065 VTMVNJUKYPXJLN-UNOMPAQXSA-N 478.957 4.759 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1cccc(F)c1 408877340 UZFPMEVUDKLTHT-HZHRSRAPSA-N 458.489 4.790 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S 408959831 GPBSOQCDLAAXMC-XMHGGMMESA-N 484.419 4.579 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 8765603 FVHAMYYQJSHXBS-BOPFTXTBSA-N 466.506 4.944 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13073921 VGFVLUHLLIEBFX-LTKMBJGESA-N 476.532 4.564 10 40 JJCB CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 33334336 RWMMPUHEEIJNIK-WOJGMQOQSA-N 487.350 4.596 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 33337552 QFYSDDUODQLJHE-NDENLUEZSA-N 462.483 4.628 10 40 JJCB C/C(Nc1cc([N+](=O)[O-])ccc1O)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100094391 NPEOAPLOQLMKRP-OQLLNIDSSA-N 463.397 4.561 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(=O)O)c1 223538861 QVCUINMITFNXNV-DQEYMECFSA-N 483.597 4.755 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=O)ccc1Br 408752355 DTMPKYRHCYSBSK-LDADJPATSA-N 496.336 4.971 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1cc(C)cc(C)c1 408880168 DTDBMOVNWOCOIE-LFVJCYFKSA-N 454.526 4.959 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccccc2Cl)c1 408887394 NULWCDIPEXUHMC-PDGQHHTCSA-N 480.879 4.733 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 409041335 UZXXDOHDPXUHOA-KRXBUXKQSA-N 495.187 4.958 10 40 JJCB CCOc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)c(Br)cc1OC 409146531 SSVQTUIYQIJMLP-IBGZPJMESA-N 480.449 4.871 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409233127 QRDGRQIDTQAYPQ-XYGWBWBKSA-N 462.509 4.823 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)cc1 409343466 HERYLIQBAZEMJM-LDADJPATSA-N 484.580 4.731 10 40 JJCB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 967089 RDYPDWLPBWNRRG-HIPMGEKLSA-N 463.964 4.602 10 40 JJCB 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4.788 10 40 JJCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)ccc1OCCOc1ccc(C)c(C)c1 34746632 JQFHUIOCQCUPSC-HYARGMPZSA-N 490.512 4.865 10 40 JJCB COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 100931076 OAFMXHUAGSTPNU-RCCKNPSSSA-N 496.976 4.868 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257277437 NXXYFLJIFOESDM-QFIPXVFZSA-N 459.590 4.565 10 40 JJCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1 260910030 BRNZLJKBKRSJGH-NQHRYMMQSA-N 462.619 4.649 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408742357 QTLBAWUDOZVWFR-FYJGNVAPSA-N 493.382 4.859 10 40 JJCB CC[C@@H](C)Oc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408898348 LJPIZALLSQKPBD-NGWPFTMJSA-N 487.350 4.610 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 409106270 QTFFDACFTQCWIS-DEDYPNTBSA-N 479.989 4.896 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC 409140142 DYCDNGGAOMWOBG-WOJGMQOQSA-N 462.980 4.602 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COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1 83313659 MXMXTAVZXWHKTK-YBEGLDIGSA-N 497.379 4.710 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 408766738 FTMHSPAXRVTTDT-BUVRLJJBSA-N 485.540 4.554 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c(C)c1 408779927 NRUSZKBOJTUBON-FOWTUZBSSA-N 474.567 4.755 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1 408801138 UDVWIPPHTCBCOM-HZHRSRAPSA-N 476.916 4.984 10 40 JJCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 408872279 CKOQVNHMQHQEMO-VGOFMYFVSA-N 484.133 4.821 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 409018404 HFXUGYOEBCWZHW-RGZVIEDOSA-N 477.742 4.946 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 2305051 VKECTPIVOZKEOF-LDADJPATSA-N 470.710 4.560 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8820004 HHZHJITUCHUPHT-MOSHPQCFSA-N 499.570 4.724 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 12275211 PXZHIIBOHFNPKS-ODLFYWEKSA-N 459.545 4.684 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)cc1 208452936 NQKUZJUTKPRFAR-HYARGMPZSA-N 459.546 4.692 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408963809 AFBJRUDVCNDVIA-MHWRWJLKSA-N 484.892 4.577 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc(I)c1 409036322 VPNGRQAGNAVHHM-UXBLZVDNSA-N 478.158 4.793 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 409239785 FDPRTNNJBATRCF-CIAFOILYSA-N 492.963 4.596 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409251661 VMIUSWUZQBNGLW-JCMHNJIXSA-N 453.473 4.804 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 726219 DKLLCDOIGWYWNH-UUASQNMZSA-N 476.710 4.708 10 40 JJCB N=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 8766982 WDZNJXXMLCTKEF-ASFQMBHESA-N 483.553 4.597 10 40 JJCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 8951982 IYZRWSOXNHMGDF-JTMDUIFQSA-N 458.470 4.825 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1Cl 9293610 RWASNJDBSFXVOO-VXKHAPKQSA-N 451.861 4.929 10 40 JJCB O=C(O)c1cccc(-n2cccc2/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)c1 15013108 AULHXJHNYAELDO-PTNGSMBKSA-N 470.268 4.989 10 40 JJCB CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)N1CCN(C)CC1)c(O)c1ccccc12 22456847 PXSRGZWFGBSBAF-DEOSSOPVSA-N 459.546 4.509 10 40 JJCB COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 33498803 ZUJBTNDSJGCOEN-RGVLZGJSSA-N 479.385 4.884 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1 33524794 OESBMBLEMMIUGU-WOZVDNMVSA-N 485.569 4.801 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(I)c1OC 35224534 SIKFBPOZJQYDKM-YBEGLDIGSA-N 480.327 4.699 10 40 JJCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41108182 AQNLEYFKAVCHIA-CPWDNUMFSA-N 493.526 4.982 10 40 JJCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(Cl)ccc4C)ncn3)CC2)cc1 49006839 CJHQPHWENCVYGL-UHFFFAOYSA-N 484.025 4.504 10 40 JJCB COc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 89930431 ODOBBXQGCJVJLU-RUZDIDTESA-N 452.514 4.951 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222944354 QYVNIMIHAXRQRE-ZEQRLZLVSA-N 462.619 4.904 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4cccc(OC)c4)o3)CC2)cc1 224903397 QILLQTQCELVOAP-UHFFFAOYSA-N 469.541 4.988 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 408809574 IFDDVBGKKAHKFJ-LDADJPATSA-N 470.710 4.560 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 2639379 XAEHQIOUQPNZGB-SANMLTNESA-N 461.949 4.714 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 9309566 DUIQVSZZBGMGBM-UVYYMYQDSA-N 451.552 4.531 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18249942 VUAKJIPZLVFSSE-KMDXXIMOSA-N 465.505 4.505 10 40 JJCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 41076714 IVRHHSBWIYJXHQ-BPHBXOPHSA-N 464.528 4.863 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 225524357 URNJSNJHKDHWKG-SVBPBHIXSA-N 496.640 4.885 10 40 JJCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409214255 WSRUICWDROIRNJ-PKSBALPTSA-N 463.895 4.676 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C 9293568 YMHWZLXNZCTSBS-KAGZEXGGSA-N 473.533 4.909 10 40 JJCB CCOc1c(I)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC 13371325 NPVSQRQMWDSSQE-SXGWCWSVSA-N 462.283 4.988 10 40 JJCB CC(=O)N1[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CS[C@H]1c1ccccc1O 14009692 SZHBCTCNBFJFJB-SQHAQQRYSA-N 460.599 4.626 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 32109375 YSTPAISGZQMKBA-UXMLFEQVSA-N 484.965 4.836 10 40 JJCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35560544 LJFZYLJBZXDHNT-RUZDIDTESA-N 464.009 4.944 10 40 JJCB O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)ccc1Cl 59106190 VACLHMXAEFWXEP-YBEGLDIGSA-N 454.797 4.944 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)ccc21 225733059 SULGNUILLMHHBE-GOSISDBHSA-N 473.664 4.749 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1OCC 408532276 TYSFKLJPMKLUPR-QNGOZBTKSA-N 479.529 4.538 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C2=O)c1 408770787 ANAURSOFYNKOMO-RGVLZGJSSA-N 492.919 4.939 10 40 JJCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409391856 KAWWIUGJXAKTQL-PCLIKHOPSA-N 472.504 4.904 10 40 JJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2408896 USTDIIXFVQLJRU-QLENYVDCSA-N 451.573 4.795 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 2959091 SCFZVUBIXUGBGH-BOPFTXTBSA-N 484.020 4.646 10 40 JJCB CCN(CC)c1ccc(N/C=C2\C(=O)N=C(S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 9008122 VXMPYVYCBDZFPG-QGOAFFKASA-N 462.497 4.707 10 40 JJCB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20288009 NYCVCGHERQVKHE-BWAHOGKJSA-N 465.513 4.933 10 40 JJCB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854947 SCSUKBHLUMGKBU-OAQYLSRUSA-N 484.025 4.632 10 40 JJCB COC(=O)C[C@H](c1cccc2cccnc12)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221872 GKEXISDGJQECEO-GOSISDBHSA-N 483.476 4.820 10 40 JJCB biogenic Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)c1 101482118 TUAPIZKMWPQYEQ-DNVJHFABSA-N 485.923 4.652 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Br)c1 223617479 VEHVDLBIEJLLFY-FGZHOGPDSA-N 485.451 4.607 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408739428 BVAKDXSLTBUHQF-LPYMAVHISA-N 479.005 4.645 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408770796 AQWNMIFTTHGLSL-CXUHLZMHSA-N 499.266 4.755 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 408819167 WXCCIBKAIONQLF-XSFVSMFZSA-N 477.314 4.695 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409098292 PIHLDIAZFRTOQB-UVTDQMKNSA-N 472.240 4.828 10 40 JJCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409206908 RCQRWMJODQPFKK-UNOMPAQXSA-N 482.543 4.746 10 40 JJCB O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc([N+](=O)[O-])c1 409338329 HVYLWSRXTCHJAV-UNOMPAQXSA-N 466.500 4.759 10 40 JJCB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1C 13060258 HGMUNCNSGHIFLY-INIZCTEOSA-N 475.928 4.766 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914107 XWQPYXJHJIUJQX-MHZLTWQESA-N 495.042 4.767 10 40 JJCB CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl 26967239 LTBTVDPLYUMVHW-HMVFGEFZSA-N 467.827 4.509 10 40 JJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=S)N=C3O)c2C)sc2c1CCCC2 59182282 FVBWXDYCEGYNER-SFQUDFHCSA-N 485.631 4.698 10 40 JJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 108172453 NFDLXEUOMPQMRX-GGNJANJASA-N 463.317 4.846 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 260922689 RDILUQOAZKOMTE-PKTZIBPZSA-N 470.086 4.901 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc(F)c1 408914514 QFXKIXPZFQFYFO-CIAFOILYSA-N 478.451 4.609 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)N(c2ccccc2)C1=S 409023397 LZUQZNFKGPTTDT-XQNSMLJCSA-N 459.571 4.753 10 40 JJCB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC 409214489 XYFVWRBBYGJXOK-WOJGMQOQSA-N 463.964 4.696 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1I 409342087 BJVBUHCIYFIHKU-OQLLNIDSSA-N 471.316 4.845 10 40 JJCB CC(=O)Nc1ccc(NC=C2C(=O)N(c3ccccc3C)C(=S)N(c3ccccc3C)C2=O)cc1 1304948 YZEMZFYXJDBMBN-UHFFFAOYSA-N 484.581 4.923 10 40 JJCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 22635733 ADLWOZVSIPBXAO-OAHLLOKOSA-N 487.217 4.786 10 40 JJCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 51364659 CCOBDWHEZJQITP-SLVCOGOPSA-N 466.924 4.963 10 40 JJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 408758177 WLEHYLFTGILUOE-UDWIEESQSA-N 450.886 4.769 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 408853961 UIANWJGEBZUZBG-FSJBWODESA-N 471.513 4.729 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408952652 VMHYSMDGQCDJAX-DJKKODMXSA-N 498.322 4.766 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409002333 TVZJBTFPYMGBHE-LGMDPLHJSA-N 476.356 4.926 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 409241910 ZIAWRUZWPVTJAT-NHDPSOOVSA-N 479.989 4.896 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)c(C)c1 409370925 VLUMKPXLEXSISV-HMAPJEAMSA-N 451.592 4.760 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c(OC)c1 8821856 FCIKRACNSZEYDE-UDWIEESQSA-N 451.460 4.954 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CCOc3ccccc3Cl)C2=O)cc1Cl 9424547 NOQWIHJBZWVJCP-QGOAFFKASA-N 484.339 4.849 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1 13569244 XVBVSRMIWGWZGX-CPNJWEJPSA-N 480.929 4.608 10 40 JJCB CC(C)Oc1cccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96220974 NJDZALSOJYHVDK-MRXNPFEDSA-N 490.464 4.511 10 40 JJCB biogenic CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223652360 KVKGYDRTYANGOH-XZOQPEGZSA-N 469.010 4.678 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1 408818595 XKPPEQPPEWDSJU-LFVJCYFKSA-N 498.535 4.726 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc(Cl)c1 408873524 VHWUSZOFMMBQDT-AQTBWJFISA-N 450.853 4.725 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3cccnc23)o1 408994265 YSDICGCQTZRBNZ-NBVRZTHBSA-N 457.536 4.810 10 40 JJCB O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409214519 XYYQAHVBFVPRSG-VGOFMYFVSA-N 466.294 4.671 10 40 JJCB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025167 GZIDVSMUIWQVAM-HHHXNRCGSA-N 487.600 4.872 10 40 JJCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 27533728 NVWZXIKIKKNPII-PXLXIMEGSA-N 476.579 4.820 10 40 JJCB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc21 225733229 CUOJHNGDCISIMR-QGZVFWFLSA-N 459.637 4.503 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 408534043 KXKORYZWZVNVQF-DEDYPNTBSA-N 490.899 4.543 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1Br 8763459 MFIAHOALNQFWHG-RVDMUPIBSA-N 451.367 4.662 10 40 JJCB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)sc(C(C)=O)c1C 13149030 SHKLGXWMECSOEJ-UHFFFAOYSA-N 482.558 4.639 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 13770162 IEHDPXUGXBKAFC-UHQOKOQESA-N 483.553 4.645 10 40 JJCB Cc1cc(I)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 15947788 FKIJYTAQWCFXFX-PWJLMRLQSA-N 454.333 4.920 10 40 JJCB O=C(O)[C@@H](CCc1ccco1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 28296962 VERJSCXRMIWJAR-MIQLPHMESA-N 484.511 4.735 10 40 JJCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)CC2)cc1 38851131 HUTSMSLLYQXAPQ-IBGZPJMESA-N 462.421 4.563 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59135310 ZKKKXQBNTGMHDU-DEDYPNTBSA-N 461.449 4.527 10 40 JJCB COc1cccc(NC[C@H](O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 101347680 SDVRLQGTPDLGTB-SJUCLPJRSA-N 480.568 4.929 10 40 JJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)c(Br)cc21 408529206 HFKTUCWHXIBRMT-AQTBWJFISA-N 496.409 4.941 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1 409101001 WJYJADCEUCBKNH-JPOGYNCRSA-N 455.580 4.538 10 40 JJCB N=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 13513532 CZXRYRBYCAHHOT-NLFWRFBQSA-N 473.945 4.981 10 40 JJCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)c1 21178392 TZFLWRPCEJBHGF-UHFFFAOYSA-N 494.569 4.601 10 40 JJCB CN1C(=O)C(=Cc2ccc(OC(=O)c3sc4cccc(Cl)c4c3Cl)cc2)C(=O)N(C)C1=O 26965926 RXAIFNPWFFNSBL-UHFFFAOYSA-N 489.336 4.861 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408530844 NPFNABWKHHJKTF-NVMNQCDNSA-N 462.980 4.553 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(Cc2ccccc2F)c1 408868167 LQRSDPRKELCFGA-PXLXIMEGSA-N 458.489 4.708 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 408945877 OFHHTNNTFFMCOD-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)NCc1ccco1 409136136 SRBKOVSTOLCYCN-XKZIYDEJSA-N 473.579 4.957 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)OC 409328314 RWNVRUPLJSIDJK-YBFXNURJSA-N 475.613 4.765 10 40 JJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 8820513 YBUCXPJGXLMBDY-NRSKTENOSA-N 477.655 4.573 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1 8867309 RBTOEGPKRYDGQZ-RUZDIDTESA-N 452.514 4.951 10 40 JJCB CCn1c(/C=C/c2c(C)[nH]c3ccccc23)nc2ccc(I)cc2c1=O 9186504 QDLYQNLNHGACQR-PKNBQFBNSA-N 455.299 4.981 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2C)cc1 13670766 YBBBODRIQQOFFC-UHFFFAOYSA-N 491.657 4.724 10 40 JJCB COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1 26593278 ULPBZRWUXKZVSS-OMYHDSEFSA-N 478.574 4.818 10 40 JJCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(F)cc1 102759810 GOSURHXZEBZUIP-IRFCIJBXSA-N 473.287 4.889 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 223481068 SNQQKGFKMRIDJH-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cccc1OC 408536349 YYAGAIFYNMXBAP-MOSHPQCFSA-N 465.552 4.806 10 40 JJCB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409016176 SRFPVIXTIAGUDH-LDADJPATSA-N 458.967 4.699 10 40 JJCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 409250175 WISZFHRBCJXATC-FYJGNVAPSA-N 453.539 4.799 10 40 JJCB COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3sc4c(c3c2=O)CCCC4)cc1 2375564 PCOLEAZIIXVUGW-UHFFFAOYSA-N 494.594 4.721 10 40 JJCB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 12862189 JEZUNFDQAJBZKW-JLHYYAGUSA-N 467.312 4.840 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 26712985 GKWPATYWDZDEBY-WZHFLWTNSA-N 478.574 4.799 10 40 JJCB CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC 59135254 PMOMJKPPKLTTON-RIYZIHGNSA-N 463.259 4.502 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 409097093 HIULXCUWISXIBF-YRNVUSSQSA-N 469.708 4.721 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1Br 409149876 TYOQBCISLGCOQM-CXUHLZMHSA-N 497.823 4.966 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC 409343150 GESPLLNKLSNULI-CAOOACKPSA-N 494.388 4.991 10 40 JJCB CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 929901 KWKKXYHXLZFNOR-NRFANRHFSA-N 465.575 4.637 10 40 JJCB Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 9113852 FQORYKUFRSSUFQ-KOEQRZSOSA-N 479.536 4.691 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2cc(-c3ccc(C)c(C)c3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 21786419 JCWQEXPWRZCDOY-XMMPIXPASA-N 495.645 4.634 10 40 JJCB CCCCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC)c1C 44827040 WURWTJUDTFYEAI-LGMDPLHJSA-N 455.536 4.519 10 40 JJCB O=C1C(=Cc2ccccc2I)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 107834289 OLADJTXPYWCXES-UHFFFAOYSA-N 494.288 4.875 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 224004600 YUIVEFFNVZDZJJ-RPBOFIJWSA-N 469.570 4.790 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1cccc(F)c1 408884273 XOFNDLGMJSILTO-OEAKJJBVSA-N 458.489 4.708 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1 408932861 FFCFTKVDVVDOQJ-XKZIYDEJSA-N 463.921 4.627 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 409239314 PJBXCXHOORNZFT-LDADJPATSA-N 494.960 4.795 10 40 JJCB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 409341088 DREBTRIBOZGBHO-UDWIEESQSA-N 455.967 4.924 10 40 JJCB COc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(Cl)cc2)cc1 2361591 FOMSKCHXAFPNBV-UHFFFAOYSA-N 467.934 4.983 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 83311823 JXLJOMYDMHLOIR-QNGOZBTKSA-N 483.592 4.869 10 40 JJCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102740226 SWQASVHFACEOHY-RZUBCFFCSA-N 485.323 4.759 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)nc1 225509711 IWVXFZOLCPUTRO-RRPNLBNLSA-N 496.640 4.804 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1cccc(F)c1 408869261 RTTNXXKVPPEHDP-HYARGMPZSA-N 458.489 4.708 10 40 JJCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br 408982585 IBRHCQUAVQPFDD-DHDCSXOGSA-N 477.742 4.730 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409243943 ZJCSOXYBYXJLOH-YBFXNURJSA-N 451.885 4.861 10 40 JJCB CN(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1Br 2502972 XSBDJLALFZZDDJ-QFIPXVFZSA-N 472.408 4.830 10 40 JJCB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9087107 KRAYWRGOMCAOQG-UHFFFAOYSA-N 467.506 4.552 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@@H](C(C)=O)[C@H](c2ccc(F)cc2)C12C(=O)c1ccccc1C2=O 9159595 DTWLJDCVEGCQOZ-PVHODMMVSA-N 494.522 4.807 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O 9188531 HXVULCDOTCFODI-APSNUPSMSA-N 470.355 4.871 10 40 JJCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1 13943841 NULRKEWOYHEYQE-VHDUERLVSA-N 478.574 4.818 10 40 JJCB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 15240774 SYLHJIBIQVJMLJ-QGUUBAPPSA-N 493.545 4.636 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1C 33743396 OMMRYGJZZWCFQV-ODLFYWEKSA-N 488.407 4.807 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc(Br)c1O 59861590 CNJNQXULPDLIPE-MLPAPPSSSA-N 465.687 4.714 10 40 JJCB COc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1 65298102 WWZUOZYQYWDEFF-QFIPXVFZSA-N 472.427 4.888 10 40 JJCB biogenic COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223480791 GMZKODQODXAJEP-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408813328 MXQQAUPFECHDHE-DEDYPNTBSA-N 491.887 4.802 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 409220991 IWQSOTMKFVMCLE-GZTJUZNOSA-N 474.344 4.659 10 40 JJCB CCOc1cccc2c1OCCCCCNC(=O)CN(Cc1cc(C(C)(C)C)ccc1O)C2 643574910 ZZSOWFVMHRNVSL-UHFFFAOYSA-N 454.611 4.770 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 660945 FLHZJVJIGIPRGH-OEAKJJBVSA-N 461.493 4.503 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O)=C\c1ccccc1 8820564 KUJQJHOGGJHZFH-QIROLCGISA-N 483.571 4.867 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 16429233 CAUHZNDABWGTCE-YZUZCNPQSA-N 491.525 4.920 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccc(Br)cc1 16764724 BYYIQHWVIXRSQP-ZROIWOOFSA-N 453.770 4.649 10 40 JJCB CC(C)c1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96221753 TXYIYMDLHNBBRU-MRXNPFEDSA-N 474.465 4.847 10 40 JJCB biogenic Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4O)[C@H]3C2=O)c1 100899062 IRMJANOKFATPBX-FSSWDIPSSA-N 479.330 4.514 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2ccc(F)cc2)cc1 101152198 QQSNZSZNXIQRCA-KQWNVCNZSA-N 460.465 4.557 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Br)c1 223617529 VEHVDLBIEJLLFY-YADHBBJMSA-N 485.451 4.607 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1Cl 408529305 HENOVAUDRXHJGM-APSNUPSMSA-N 453.372 4.808 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 408845849 LSVKSCZLQKUJRL-XYOKQWHBSA-N 499.148 4.616 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1C 408966028 LBMOAVLEXPSONI-HZHRSRAPSA-N 464.525 4.926 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCc2cc(OC)ccc2OC)N[C@@H]1c1ccc(N(C)C)cc1 408986017 BRIPVHWUURQPKQ-HSZRJFAPSA-N 469.607 4.541 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1C 409173996 OZABIEYWWNJGSF-FYJGNVAPSA-N 463.921 4.940 10 40 JJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C 409258339 UNSVZUWOGZXACO-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)ccc21 409340034 PAIIKZDTJIWFAD-PXNMLYILSA-N 450.372 4.590 10 40 JJCB COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1565519778 HFNPXFFLCDZSRF-UUOWRZLLSA-N 489.056 4.744 10 40 JJCB biogenic COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1cccs1 2280961 GJXGVFGSLCZIRX-WOJGMQOQSA-N 457.554 4.970 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 12363393 UNOKPVCLPLWPKJ-BOPFTXTBSA-N 487.364 4.995 10 40 JJCB COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1OC 22419217 UAIWICGMIXVYKD-RUZDIDTESA-N 474.605 4.691 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C 41078498 MMPIVUFNAGHQPW-QPUILPENSA-N 481.936 4.874 10 40 JJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 100931051 UGXKCELMPUTHPF-XQNSMLJCSA-N 480.977 4.537 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(=O)O 223538442 DXNQYVFOKQNNPJ-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc4c(c3)OCO4)C2=O)cc1Cl 408992932 VCTJATDPTPLBPS-ODLFYWEKSA-N 490.899 4.623 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)c1C 409132444 XYWWIFLTKWGHSP-CJLVFECKSA-N 455.583 4.888 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409338449 KEPYVVQOZUDERX-CPNJWEJPSA-N 458.008 4.795 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)S1 9762138 FIHYQYABUDOKRM-MFOYZWKCSA-N 465.756 4.788 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=S)N=C3O)c2C)cc1 32109705 OKCPVUIKMDOLPV-HMAPJEAMSA-N 489.553 4.561 10 40 JJCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(Br)cc2)c1 33659328 AXBLBJKCURRQJA-HMAPJEAMSA-N 492.373 4.556 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(O)cc1 223462079 WTVSIEWVSPVMDX-JWQCQUIFSA-N 455.587 4.762 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(Cc2ccccc2F)c1 408875083 CSPWVBAQHFTNFY-FYJGNVAPSA-N 464.880 4.745 10 40 JJCB CCN1C(=O)[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 409142988 SRLQVLVXYZMXOX-QGZVFWFLSA-N 454.386 4.959 10 40 JJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)c1 409256773 PXUYPVWERNBKPJ-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB O=C1N[C@@H](c2cc(Br)cc(Br)c2O)Nc2sc3c(c21)CCCC3 3186517 ZBCRDGBHAOHKGC-CQSZACIVSA-N 458.175 4.712 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 13075729 BTOMDQNQKPOTLO-UHFFFAOYSA-N 497.935 4.532 10 40 JJCB COc1ccc(N2CCN([C@H](c3ccccc3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22851813 QQBAQWNATIGTEN-JOCHJYFZSA-N 487.585 4.677 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(c3cc(OC)c(Cl)cc3OC)C(=O)N=C2O)cc1OC 33396846 SRJGQGZGINZHDF-ZROIWOOFSA-N 474.897 4.661 10 40 JJCB CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N(c2ccccc2)C1=O 59138954 OWNOTIZORCDYHF-QGOAFFKASA-N 451.276 4.718 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1Cc1ccccc1F 408864945 ARBNVKPMNXIUIQ-DEDYPNTBSA-N 495.304 4.551 10 40 JJCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409067130 BPJTVIFNTHERLE-FMIVXFBMSA-N 484.133 4.821 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC1=S 409139031 LNILGMGKRSWGDZ-JWGURIENSA-N 452.601 4.958 10 40 JJCB Cc1ccc(OCCOc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 1743261 CTZPUGZRBWFPPO-JWGURIENSA-N 493.357 4.677 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1CCOc1ccc(Cl)cc1Cl 2238728 AXKXSSIGZMOKKZ-AQTBWJFISA-N 488.302 4.679 10 40 JJCB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)o2)cc1 8860863 MSMZXGXGTRRZBS-UHFFFAOYSA-N 477.542 4.899 10 40 JJCB CCN(CC)CCOC(=O)[C@H](c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O 16693699 JVPKEALHIJEPMX-VWLOTQADSA-N 455.554 4.672 10 40 JJCB O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 27015552 IAZXIOZZUXOLNE-HCAUFJHHSA-N 451.569 4.686 10 40 JJCB O=C1/C(=C/c2ccc(O)c(Br)c2)C(O)=NC(=S)N1c1ccc(Br)cc1 59198515 JOSMWPSSELYCCD-KPKJPENVSA-N 482.153 4.589 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc2c(c1)OCO2 223465629 XTGCIMWATZNVID-IZZNHLLZSA-N 483.597 4.786 10 40 JJCB O=C1N=C(O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 8683369 URAZTGNIHXNUKK-PTNGSMBKSA-N 464.890 4.831 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCCC3)C2=O)cc1 8820099 YNZKAEIEXXAYGK-SILNSSARSA-N 474.648 4.684 10 40 JJCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 13647059 SZAPSACPZQMVFT-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 13660132 MAUORQKITLUXHE-ZNZIZOMTSA-N 471.557 4.593 10 40 JJCB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15412892 PCDMTBVPBBIMPE-HHHXNRCGSA-N 457.574 4.889 10 40 JJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 16268313 KMOLUPPZQBJSES-COVVZGLNSA-N 484.980 4.608 10 40 JJCB COc1cc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 20288166 BOBNSRPFWAQPKV-KQWNVCNZSA-N 461.493 4.989 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 41085057 RHGDVLAWXFRMEF-ICALIKLASA-N 489.601 4.645 10 40 JJCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59135319 PTFXRBNSIDYBOF-UDWIEESQSA-N 461.449 4.747 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C 223009549 XRWKSSUZAYWZSL-FCHUYYIVSA-N 485.451 4.871 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408811776 WIBHFQBCVKJMCD-SFQUDFHCSA-N 457.324 4.521 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 409229111 JXXSOHCOXRKNBQ-XDHOZWIPSA-N 451.885 4.861 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1OC 96398859 CQKBDZIXIZSQIG-CXUHLZMHSA-N 494.388 4.960 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408965542 INMFBKISTWLOMA-UDWIEESQSA-N 496.995 4.784 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 409148574 ZYRWRNIJGOZSIW-HYARGMPZSA-N 459.571 4.551 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c(Br)cc1O 409207744 YWUKTUDZXKTTLQ-PXNMLYILSA-N 453.383 4.509 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 409341854 CMJNRIRPKPJXOR-DHDCSXOGSA-N 469.371 4.557 10 40 JJCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 1277005 QTDIQHOOMAIMOT-JFENUBAZSA-N 477.991 4.690 10 40 JJCB O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1c1ccccc1 2958194 AJRQTLKWNVLECE-HKWRFOASSA-N 453.566 4.860 10 40 JJCB CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 9236610 CXDYNZMRRHVCHQ-CXUHLZMHSA-N 465.350 4.767 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)cc1 13631854 SEFIRYADYYRZKL-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB COc1cccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2OC)c1 100270817 XQBFUXATXFMEHE-LFVJCYFKSA-N 458.514 4.968 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422822 RQZUYXUEFSATNU-CIAFOILYSA-N 469.676 4.982 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(=O)O 223499124 ZYDQCABKIDDZAM-DQEYMECFSA-N 483.597 4.755 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225951707 WNXMEEYXLFZTJN-UHFFFAOYSA-N 499.688 4.684 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257261827 LIYINALXGYULBL-OAQYLSRUSA-N 459.590 4.565 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)cc21 260911935 DIRIQURCDQDAML-VXKWHMMOSA-N 457.043 4.722 10 40 JJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409196843 RLRQFDMQDDFHFW-YVLHZVERSA-N 478.389 4.797 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)cc1Cl 409247726 NIHMPYUGDXIMFA-GIDUJCDVSA-N 474.767 4.724 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9282620 OXNRZKSRYHQGGM-JNMYDYDMSA-N 460.950 4.810 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 35154399 UOIMWHZVOFLASO-JLPGSUDCSA-N 465.465 4.788 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(F)cc1 40006363 LQDUQOAIRBIMQE-UMUMUWHJSA-N 459.564 4.794 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 41082494 YSPVMOZUDSVJQF-FUXRUBMQSA-N 481.936 4.955 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)SC1=S 108094259 JDUYLRAEALQVNQ-YVLHZVERSA-N 478.389 4.947 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(OC)c1 408851340 XXKSKPGMWVYTOJ-WYMPLXKRSA-N 486.568 4.838 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 408857468 OKCVRGGBDAFMCQ-LDADJPATSA-N 470.367 4.579 10 40 JJCB CCOc1cc(OC)ccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 408867220 JNRFOUDNOAOUBW-UHFFFAOYSA-N 458.539 4.842 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1 408883692 WCRDRLNZEDEUKK-GDNBJRDFSA-N 464.362 4.556 10 40 JJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 9309326 HMPYAHIGLKJVSF-GRRODGBQSA-N 454.559 4.773 10 40 JJCB CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 12032441 TWDDLGYTGWHOJS-DTQAZKPQSA-N 460.650 4.809 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)c1C 33537457 CTANLXQUCSCROB-ROQGJMCKSA-N 459.984 4.696 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1 58849949 DMFCIWOJCODBJK-GLDPYIMESA-N 490.537 4.710 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 62825006 NJUFZNRJBJGOEK-SFQUDFHCSA-N 476.601 4.552 10 40 JJCB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102708155 MAUORQKITLUXHE-UODIDJSMSA-N 471.557 4.593 10 40 JJCB CCN1c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C 208510586 FBNXCXDVAIIKFN-BKUYFWCQSA-N 478.980 4.893 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 225792036 GDCYUNLVNZFPRX-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1Cl 408531817 RNSYHYNTCKPZQS-APSNUPSMSA-N 497.823 4.917 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccccc2)c1 408814763 SECFGCANMITRDU-CIAFOILYSA-N 462.889 4.594 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408815406 QDVKAJITCYISHN-LFVJCYFKSA-N 464.477 4.791 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 408965937 KHMWQORKMGACIB-XNTDXEJSSA-N 485.880 4.787 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 409023778 PKKNOXZZXTXUFU-MHWRWJLKSA-N 484.942 4.948 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1 409084167 BSJFAPLXDFZYIY-SFQUDFHCSA-N 480.929 4.526 10 40 JJCB Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c(C)c1 409208429 BQKHDDCQZJEQNK-YDZHTSKRSA-N 474.536 4.690 10 40 JJCB CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1)C1CC1 9672509 REUDZYBOKFRFAM-UHFFFAOYSA-N 458.584 4.965 10 40 JJCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 18181779 RMWIOLBATDPVBO-ACRUOGEOSA-N 492.314 4.689 10 40 JJCB biogenic CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 41084710 UJUPLRWSMVYWHZ-VVHVNJFJSA-N 489.601 4.727 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 59139667 RQMMQBRHRUVHRS-UHFFFAOYSA-N 494.016 4.925 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 59170346 LOAIOLALUPRTFY-PXNMLYILSA-N 454.356 4.858 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c1 408779982 PEOWJSHWGJLDMS-WOJGMQOQSA-N 480.929 4.746 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408783514 MFTSNNDPDNIKEF-VCHYOVAHSA-N 498.322 4.766 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)SC1=S 409128173 DVPCTXLZJSMQTL-WCEBZYJUSA-N 455.649 4.900 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3Br)OCO4)SC2=S)cc1 6645215 AIZRLNJNQYYVSQ-FRKPEAEDSA-N 450.335 4.592 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c1 8450459 BAOXLOBYGHEPOF-HZHRSRAPSA-N 466.566 4.782 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc([C@@H]4COc5ccccc5O4)o3)c2C)cc1 9338604 OPXJVXBQBUZFMJ-QHCPKHFHSA-N 477.542 4.973 10 40 JJCB COc1ccc(OC)c(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)C2=O)c1 15412369 TYVRBNYZGWLZDA-RUZDIDTESA-N 479.964 4.544 10 40 JJCB O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102693058 JXQVHMLNHIEVKH-PWRODBHTSA-N 455.297 4.750 10 40 JJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408529152 HBUYVKHQGLTVKZ-WQLSENKSSA-N 460.719 4.711 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408692466 NBQLNMAXHUKTRA-WOJGMQOQSA-N 487.325 4.572 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccc(F)cc2)c1 408807005 JTVAXBUAFRKRGJ-LPYMAVHISA-N 474.488 4.697 10 40 JJCB CCCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 408938745 RJPVMDYZHKCKLQ-XNTDXEJSSA-N 452.816 4.814 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC(C)C 409119787 SWAHJPYGNTWWTE-RIYZIHGNSA-N 479.385 4.929 10 40 JJCB Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1cccc(C(F)(F)F)c1 3368455 OBIBGJBIPDNAFW-UHFFFAOYSA-N 464.484 4.535 10 40 JJCB COc1ccc(CN2C(=O)/C(=C\c3cc(OC)c(O)cc3Br)SC2=S)cc1 15012129 IMBJPPUVCVODPU-CAOOACKPSA-N 466.378 4.573 10 40 JJCB Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 33773267 YRWANDUCWYGKPN-PXLXIMEGSA-N 460.486 4.857 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)o1 41077877 SIYAYXZRVBGYNV-ATNGQLTKSA-N 455.521 4.881 10 40 JJCB CN(C)c1oc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Br 59105043 MIJATOHKBKZIMP-UHFFFAOYSA-N 496.386 4.856 10 40 JJCB COc1ccc(N2CCN(c3nc4c(-c5cccc(Cl)c5)nnn4c4ccccc34)CC2)cc1 67262726 ITXSEHPMSWILGV-UHFFFAOYSA-N 470.964 4.933 10 40 JJCB O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCN(c3ccc(F)cc3)CC2)c1O 95350620 UMGVVXIIQMVYGT-UHFFFAOYSA-N 469.560 4.937 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 223562025 OPEQXLXEVQGFGX-UHFFFAOYSA-N 465.619 4.596 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 408571326 BANWZRXBACDWJM-ODLFYWEKSA-N 477.007 4.976 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1C 408813763 DPJPRBYUFIPADK-RGVLZGJSSA-N 491.931 4.729 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 408886280 JMTCQWHWJZJJMV-STZFKDTASA-N 476.529 4.635 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c1 408895324 FDHRNRBYXJVLCD-LICLKQGHSA-N 457.324 4.520 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c1 409020820 UHYOIUJEELHQKS-DEDYPNTBSA-N 465.962 4.669 10 40 JJCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 1277001 XYDIUXTUKYWLLC-JFENUBAZSA-N 477.991 4.690 10 40 JJCB CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 8691745 MLWVCLZAHOXDIB-YTFSRNRJSA-N 452.510 4.817 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nccs1 12378014 HOYPZVHUPAJYNE-PDGQHHTCSA-N 483.596 4.575 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 33722490 NTRAUECPVFOOHM-XKZNGBPRSA-N 460.950 4.810 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408811469 VROLWBUPUZYKSW-UDWIEESQSA-N 476.916 4.902 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 408873376 QBLRLQIBFCXQDA-QNGOZBTKSA-N 456.498 4.503 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409011263 GTQVXJOLZINDMB-LDADJPATSA-N 486.778 4.725 10 40 JJCB CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O 2900547 XLYRCSWKTHYLFR-XSFVSMFZSA-N 472.383 4.546 10 40 JJCB N=C1/C(=C\c2ccc(OCCCOc3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 13881227 RUGURQZIKRKTOF-GESHDMKESA-N 485.363 4.546 10 40 JJCB COC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S 28048173 JPOWUACAJGAART-PDGQHHTCSA-N 492.416 4.792 10 40 JJCB COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1Cl 34835969 SDMWTRQROZAGOP-QPEQYQDCSA-N 451.729 4.783 10 40 JJCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)ccc1OCCOc1cccc(C)c1 41076796 HYIQAHNNTPBWEZ-KGENOOAVSA-N 476.485 4.557 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1C 41078356 IZLLBTDMOXAYFH-LQXVEBIKSA-N 482.334 4.795 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1 41082557 NYIBYMGBHLCFLC-ABRWSESMSA-N 461.518 4.692 10 40 JJCB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 100953475 MAUORQKITLUXHE-CYXNTTPDSA-N 471.557 4.593 10 40 JJCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccc(C(=O)N2CCOCC2)cc1 101128607 GDZHUCKSAVEWGD-SFQUDFHCSA-N 493.778 4.838 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccccc4Cl)c3)CC2)cc1 224138211 DSMYIXVPJNYDLL-UHFFFAOYSA-N 466.965 4.899 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccccc2)c1 408802408 ZWGNNIRRKWXAFH-HYARGMPZSA-N 456.498 4.557 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1ccccc1F 408872655 NNBFZRWGAOPNHA-FYJGNVAPSA-N 458.489 4.708 10 40 JJCB Cc1cccc(Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 408918417 KGKWXCYLHQCUIK-UCQKPKSFSA-N 469.541 4.968 10 40 JJCB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S)c1csc2c1CCCC2 9705088 RHIXEJUBJWKRQB-PFKIIUHPSA-N 471.585 4.638 10 40 JJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 12363716 WYHACCMWXUJXHT-LDADJPATSA-N 493.972 4.585 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)cc1OC 33736237 QPIFBKYQGCWOER-VKRJAPGXSA-N 499.596 4.973 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1 41108235 MIUJVWMFDKHJMD-CJSRDQHASA-N 473.533 4.909 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@H]2C1=O 102721849 PWQXOIODGMEKMN-RBZQAINGSA-N 461.949 4.766 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2c1 408779876 MSNAYFYAHTVWKU-HZHRSRAPSA-N 458.514 4.920 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 408941529 WVUNCPKJJHBKEZ-HMAPJEAMSA-N 462.889 4.594 10 40 JJCB N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 6446444 WZZUWCLPKUCSBO-QEMOKZAASA-N 453.449 4.871 10 40 JJCB CC(C)(C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 8914138 KKMHKDUBLZLSIO-CJLVFECKSA-N 461.518 4.960 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Cl)c3)C2=O)cc(OC)c1OC 13400189 URQRUCWBBXUHDB-WQRHYEAKSA-N 493.006 4.596 10 40 JJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1F 16729194 ARFLUXPDWGLWPL-STZFKDTASA-N 483.590 4.925 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 208223021 BQDIXXDWITZVTG-GEYIUBJWSA-N 466.969 4.593 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(O)cc1 223462256 WTVSIEWVSPVMDX-DQEYMECFSA-N 455.587 4.762 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223694804 MCLKULUHUGTKES-RSXGOPAZSA-N 476.646 4.896 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c1 408772441 PEYLASZSJDAZHA-SFQUDFHCSA-N 474.567 4.755 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 408813315 NQKAFGPUUGQEGA-HZHRSRAPSA-N 456.498 4.503 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 33404103 CBUVFKOFAYLYBK-BKUYFWCQSA-N 453.539 4.718 10 40 JJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 107627594 HXLKTCCJYVVUOV-OQLLNIDSSA-N 462.308 4.708 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274733 XOKSXTPFCNZVAP-ZEQRLZLVSA-N 484.069 4.685 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(=O)O 223498952 ZYDQCABKIDDZAM-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 223722192 DPQORIIRVVLPMZ-ZEQRLZLVSA-N 466.582 4.554 10 40 JJCB CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 408572683 HPURIEVRHWPXGM-MOSHPQCFSA-N 456.589 4.712 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(F)c1 408788229 CLLBLOKNANRNCZ-UDWIEESQSA-N 480.879 4.733 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 408873469 ULPHYIISGQYKRZ-AQTBWJFISA-N 450.853 4.725 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 409338690 OLTFFVDUJPZLAN-DHDCSXOGSA-N 469.371 4.644 10 40 JJCB Cc1cc(NS(=O)(=O)c2ccc(Nc3scc(-c4ccc(Cl)cc4)[n+]3C)cc2)no1 2144400 KHWXBWSQKYUYQV-UHFFFAOYSA-O 461.976 4.734 10 40 JJCB COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2cccc(Br)c2)cc1OC 2279631 RWVDIJTZLRCHAT-UHFFFAOYSA-N 490.375 4.807 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 8494989 SELLZQMLHZYOKK-YJFMCDHMSA-N 478.574 4.799 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(Br)c2)C1=O 8819311 WETMKRCSXFEILU-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 9296583 FHJSNWHGKXTGFY-WOJGMQOQSA-N 452.469 4.959 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 9553687 HAGZJDMEJYFDND-FDGNSCPVSA-N 499.936 4.865 10 40 JJCB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)c1cccc(Cl)c1 13671499 ZNYPTSOIQXPDLJ-UHFFFAOYSA-N 498.048 4.836 10 40 JJCB C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@@H](C)O1 27016934 QHQORVMTQKBEOZ-DJQLGGTQSA-N 462.550 4.758 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 409094041 CLXGDVWOCAXELK-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 409195848 WIFPEHXRGCYZIX-UDWIEESQSA-N 487.990 4.636 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 409211144 KYGSKOLNYOPTBN-XIEYBQDHSA-N 467.525 4.532 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2396246 PUMDCCIGDWHSJR-BKUYFWCQSA-N 478.346 4.831 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 33890889 YXBXANBWEAWTCD-IHVOSJJMSA-N 459.531 4.753 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1 223504243 DCKYGJZSBWINEN-JWQCQUIFSA-N 454.603 4.760 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1C 408762307 JYYIXXVDHINLFE-WOJGMQOQSA-N 464.861 4.581 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccc(C)c(C)c2)c1 408864960 AUFCYMYRNAHBBG-BKUYFWCQSA-N 474.488 4.697 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409039819 DSECEINBHRGOIQ-UHFFFAOYSA-N 457.338 4.640 10 40 JJCB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4CC)C3=O)c2C)cc1 409231403 CZXLETWDMMQHDT-PCLIKHOPSA-N 470.573 4.750 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 1012866 WTPQFTZEPOVIPL-NDENLUEZSA-N 462.483 4.628 10 40 JJCB Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2225223 KUQYGUMGJJHLKA-XYGWBWBKSA-N 497.551 4.982 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1OC 8763492 SNQSDFWQNDRLNU-PDGQHHTCSA-N 491.660 4.869 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214219 HROPSEXOEDEQPP-FQEVSTJZSA-N 486.366 4.647 10 40 JJCB CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 17315820 VINDNIVONSQNCL-HHHXNRCGSA-N 490.623 4.584 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1OC 32701766 SNQSDFWQNDRLNU-LDADJPATSA-N 491.660 4.869 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccccc1C 41077625 MKUFKLJXXQEUJX-JWGURIENSA-N 473.616 4.699 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(O)cc1 223537809 DNOCADJOSOMJMZ-LOSJGSFVSA-N 455.587 4.762 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 224352759 ZRFOGOYOJOWGGT-UHFFFAOYSA-N 465.619 4.596 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 408808734 FVHYBABILXAUKT-LFVJCYFKSA-N 493.475 4.993 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Br 408901072 ZVVNNQXQDQYGLV-RGEXLXHISA-N 493.382 4.859 10 40 JJCB COCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)SC1=S 27026475 YXFLHHGKZOYERT-ZCXUNETKSA-N 479.410 4.758 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 102861098 PJMQOOGXJFMWJI-UQQQWYQISA-N 471.582 4.937 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1 223268140 GFRQNKGNJHMKSU-DHIUTWEWSA-N 454.043 4.677 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223687623 CXQXEDKTRBFPBJ-JWQCQUIFSA-N 462.619 4.587 10 40 JJCB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 408585058 BISSICQNQRWJLG-UHFFFAOYSA-N 488.949 4.949 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 408744444 ZVQHVTCPYBIBGO-WJDWOHSUSA-N 467.890 4.648 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)C2=O)c1 408790567 SKVDSQXLGYTWCI-XDHOZWIPSA-N 465.303 4.992 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 408983634 GWVQWMBTTLDNQM-PDGQHHTCSA-N 465.849 4.737 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)c1 409108463 UGOVHKSURUNSCE-FYJGNVAPSA-N 462.937 4.587 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409238339 NBPAGNAHKVZMAZ-VGOFMYFVSA-N 484.883 4.597 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N=C3O)c2C)cc1 843475 HXJDVGQCYISXLB-PXLXIMEGSA-N 473.554 4.942 10 40 JJCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C2=O)cc1 1164035 VNYXNHQFSRDJGR-HZHRSRAPSA-N 471.513 4.950 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9281238 UAAKSIBZAFNXAX-DSITVLBTSA-N 464.477 4.617 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)O 16915676 HHXRMBRZXSPXDG-CAOOACKPSA-N 467.927 4.747 10 40 JJCB C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1 26532070 NIWDLKDUEOIFOW-ARHDRIAESA-N 482.675 4.711 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 33507624 IMHUITHWYAAZLT-ZDLGFXPLSA-N 484.295 4.942 10 40 JJCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F 34863685 KXLUYLIYJQGOHF-UNOMPAQXSA-N 452.869 4.528 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 41078494 PBKQKTGIPLWNJY-QPUILPENSA-N 481.936 4.874 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223657716 QEGSOCTZTOWTKD-AHWVRZQESA-N 476.646 4.950 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223722591 YCNOJBBGEGLFFK-ZEQRLZLVSA-N 466.582 4.554 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl 408783296 NWIHSJQXFNSMCJ-DHZHZOJOSA-N 455.750 4.877 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(Br)c1 408854358 DBBAPQLHLCNNFA-DHZHZOJOSA-N 456.148 4.587 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1Cl 409221685 UVINLCUZRZCKCV-KEBDBYFISA-N 494.960 4.795 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(F)F 409352495 WFCQXJKWCGDAMD-IUXPMGMMSA-N 451.472 4.821 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(O)=NC1=S 2065757 DQIDRYTUVQVPAV-ATVHPVEESA-N 462.483 4.633 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21)Nc1ccccc1 2944216 GOFVJJKQFLBKSM-XSFVSMFZSA-N 482.471 4.926 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 8451776 ZGHRVWNBDXXTKZ-KGENOOAVSA-N 476.558 4.563 10 40 JJCB CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCc2ccccc2)c2cc(Br)ccc21 8768081 UIAAFPIELUGINF-PGMHBOJBSA-N 486.369 4.919 10 40 JJCB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(Br)cc1 9632357 YECGZXFLTIHIQQ-UHFFFAOYSA-N 473.318 4.979 10 40 JJCB CCC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)ccc1OC 13566436 VATTZWDNXUBFTB-UHFFFAOYSA-N 464.503 4.724 10 40 JJCB COc1ccc(OC)c(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)c1 13601105 JLBSVVZHVCICRZ-UHFFFAOYSA-N 456.498 4.904 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1C 101481552 YZBWQPDPHWSKLN-ZRBLBEILSA-N 485.923 4.652 10 40 JJCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)cc1Cl 103563452 ACCYVQBQIYKXPQ-HPFDFQMNSA-N 469.950 4.973 10 40 JJCB COCCN(CCOC)c1ccc(/N=N/c2snc3ccc([N+](=O)[O-])cc23)c(NC(C)=O)c1 115228885 QBCBEQSWSOZGPB-WCWDXBQESA-N 472.527 4.678 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273508 VEQNQVJEFFCUKW-ZEQRLZLVSA-N 468.070 4.985 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 408964656 FAIORFDNKOEZHW-YBFXNURJSA-N 483.952 4.727 10 40 JJCB Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1C 409206278 SQNQBYKIVOLZFZ-JLPGSUDCSA-N 471.557 4.742 10 40 JJCB Cc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)c(C)n1-c1ccccc1 3386195 FONMHUSWTNDARK-UHFFFAOYSA-N 480.615 4.720 10 40 JJCB Cc1ccc(Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)cc1 9311459 HOHBLQDFCOUHON-STZFKDTASA-N 469.541 4.968 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 12868180 FLOKXUKDTCBLNH-DEDYPNTBSA-N 468.937 4.722 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 14671560 ZVCJWZWYNOCILC-UNOMPAQXSA-N 481.624 4.582 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 95547688 GJLGYSHAYROSIX-UCQKPKSFSA-N 456.546 4.551 10 40 JJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 205777339 HPRHZTKLHFYNRH-VCHYOVAHSA-N 477.380 4.764 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 260838966 FXXMPLCHZXDHHO-NFBKMPQASA-N 485.694 4.963 10 40 JJCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1 408754132 MAIXHQLZQHQCEZ-DEDYPNTBSA-N 463.287 4.687 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(O)=NC2=S)cc1 2262386 NOTNTTHVNJPNMO-UNOMPAQXSA-N 463.471 4.843 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1OC 8819376 MFUUBEBJFBGVKL-SXGWCWSVSA-N 483.398 4.851 10 40 JJCB N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 101098397 KZSHTDKUWNVDPN-ZWRUMINSSA-N 481.965 4.622 10 40 JJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)o1 107771219 AFPTXNOJIDQHMP-WQRHYEAKSA-N 487.434 4.585 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408783008 LWYYSIRTHSMTKE-CXUHLZMHSA-N 499.266 4.755 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1ccccc1F 408875771 HOFPKIXJESOTDN-LPYMAVHISA-N 458.489 4.708 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1ccccc1F 408883596 UZZDRCOPHHSFNH-UDWIEESQSA-N 464.880 4.745 10 40 JJCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21 409330155 JQCAYSABGRKPST-PXNMLYILSA-N 450.372 4.590 10 40 JJCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2 1355546 BXIFJVOWLWCIBY-UHFFFAOYSA-N 451.479 4.790 10 40 JJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 8818959 FCFQEKUGYQSJEK-NGWPFTMJSA-N 478.573 4.571 10 40 JJCB N=C1/C(=C/c2cccn2Cc2cccc3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 12285387 SYQRSPOACIIJRI-UGUXWMPDSA-N 453.449 4.871 10 40 JJCB CCOc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc(OCC)c1OCC 13007781 XHYBYTBHLLLVJL-RUZDIDTESA-N 495.664 4.832 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 17167211 RWPIODBMAVXTEP-JAIQZWGSSA-N 480.473 4.767 10 40 JJCB COc1ccc(OCCCn2cc(/C=C3/C(=O)N=C(O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 17195415 ZLCCXSBHGJUZQE-JLPGSUDCSA-N 499.523 4.578 10 40 JJCB CCc1ccc(N2C(=O)/C(=C\c3cccn3CCCOc3ccc(C)cc3)C(=O)N=C2O)cc1 17197262 LVYLHSYTDYUVKK-MOHJPFBDSA-N 457.530 4.699 10 40 JJCB Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 33710145 WWXWACYOAHZYAV-MOSHPQCFSA-N 463.331 4.798 10 40 JJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 58866222 CNWHZCDRPIXFHE-UHFFFAOYSA-N 488.290 4.690 10 40 JJCB COc1c(Br)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Br 59106207 VVGLULYLDDWIIJ-WUXMJOGZSA-N 498.102 4.866 10 40 JJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59139515 KZOIFLZVYKKIAS-UHFFFAOYSA-N 499.803 4.833 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223689213 SNVPVYHJLNMXBI-DHIUTWEWSA-N 469.010 4.678 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 408742679 XUZSFFVUFUXPDH-XKZIYDEJSA-N 479.989 4.978 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408874320 BEUBLFSIKNUGDT-HMAPJEAMSA-N 472.566 4.722 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(Cc2cc(C)cc(C)c2)c1 408875064 CHZQYXFDCUYFCJ-JCMHNJIXSA-N 458.489 4.708 10 40 JJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)N(c2ccccc2)C1=O 409015641 SUXSOMMKKKEZBX-HAHDFKILSA-N 477.948 4.773 10 40 JJCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)ccc1Br 409199557 OYLXXIFXSUMOSP-UNOMPAQXSA-N 470.367 4.569 10 40 JJCB COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@H]1CCCN2CCCC[C@@H]12 1565519777 HFNPXFFLCDZSRF-KOSHJBKYSA-N 489.056 4.744 10 40 JJCB biogenic Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccccc5)CC4)=NC3=O)o2)c([N+](=O)[O-])c1 8821885 DEWFQGNUUKINDD-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 12401863 WPYPINXLAKXFAT-OAHLLOKOSA-N 484.449 4.725 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)n1-c1ccccc1 13142002 FMHBMFAKZALSAE-UHFFFAOYSA-N 494.613 4.699 10 40 JJCB COc1ccc(-c2ccc(/C=C3\C(=O)N([C@@H](C)c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238478 SKDGLMOSAZWVKE-YQNUULROSA-N 461.430 4.927 10 40 JJCB COC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)=NC1=O 51330484 WMJBPIRHGNRHCD-FWLDIPGNSA-N 457.555 4.969 10 40 JJCB Cc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 107951739 AUYGANZPIRKGDP-JLPGSUDCSA-N 475.614 4.607 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 223309020 DXKOGGNHCRRVTJ-OYDLWJJNSA-N 450.583 4.780 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)cc21 223606125 DIRIQURCDQDAML-FGZHOGPDSA-N 457.043 4.722 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(C)c(C)c4)c3)CC2)cc1 224294337 CCOJQSLZFOBLSE-UHFFFAOYSA-N 460.574 4.862 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1 408797980 HLELBSIGGCGCFV-KGENOOAVSA-N 456.498 4.557 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)SC1=S 409137151 WMWNIOKHVSCJBU-JMIUGGIZSA-N 469.657 4.876 10 40 JJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409192018 SJQPMMBDLJQWMF-GDNBJRDFSA-N 487.320 4.783 10 40 JJCB COC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1 1355576 WMKDJKDTYHBSDK-UHFFFAOYSA-N 465.506 4.848 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2C)cc1 8741113 PPDKHWKISVBGJR-UCQKPKSFSA-N 456.502 4.868 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2cccc3c2OCO3)SC1=S)Nc1ccccc1C(F)(F)F 8820677 HJFZLEIWGQSUHW-MHWRWJLKSA-N 480.489 4.664 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@@H](C(C)=O)[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 9087348 FONIOBIYPHOURF-CYXNTTPDSA-N 495.506 4.773 10 40 JJCB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)c1 13649408 PHUCYGRMTMCMTH-UHFFFAOYSA-N 463.603 4.634 10 40 JJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)c(OC)cc3OC)S2)cc1 18193738 ASYNKLCSDBTANL-ZDLGFXPLSA-N 463.353 4.947 10 40 JJCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1 27533865 IZTRJECUJRDMMZ-XUTOWMMVSA-N 488.323 4.892 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 41074177 XXVBPSFEZJJDIV-UYRXBGFRSA-N 474.929 4.921 10 40 JJCB COC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=NC1=O 51330488 WMJBPIRHGNRHCD-ZJUGLSEISA-N 457.555 4.969 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(F)(F)F 223615528 ZQDDQEQNMWBDCZ-YADHBBJMSA-N 474.552 4.863 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)cc1 408775147 OKECTBURGQMAAW-YBFXNURJSA-N 496.336 4.971 10 40 JJCB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C(=O)NC1=S 408914467 PXTNDWAXTULWLI-RQZCQDPDSA-N 471.365 4.982 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 409231926 GDPWRWTXMKHVMW-FYJGNVAPSA-N 474.538 4.908 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1O 1218539 PWMXEJYXIUQWEX-ATVHPVEESA-N 477.405 4.775 10 40 JJCB COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)c1 2234261 BUJSAMFUZQZADQ-UDWIEESQSA-N 479.533 4.922 10 40 JJCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12 2259675 MMOWQBVKUBUVPM-UHFFFAOYSA-N 464.905 4.515 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 9035497 MCVREEXONQZWJT-BOPFTXTBSA-N 465.849 4.791 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1 20176487 WXDXPDOEPLFAFE-HKOYGPOVSA-N 471.582 4.900 10 40 JJCB Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 33536834 LHWQFNVGHYYLDC-MOSHPQCFSA-N 463.331 4.798 10 40 JJCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)CC2)cc1 38851139 CQHAWPFLQJJECR-SFHVURJKSA-N 462.421 4.563 10 40 JJCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 101155938 HTWFYLIVGNAONG-ZRBLBEILSA-N 465.912 4.596 10 40 JJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C 208236043 UKABNHYIDXGDQP-GYZOOYGHSA-N 451.567 4.687 10 40 JJCB O=C1/C(=C\c2ccc(O)cc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O 1635948 PVFYZPXAJJHLJN-LGUFXXKBSA-N 484.515 4.735 10 40 JJCB CN(C)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1Br 2502973 XSBDJLALFZZDDJ-JOCHJYFZSA-N 472.408 4.830 10 40 JJCB Cc1cc(C(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c(C)n1-c1ccc(C(C)C)cc1 9587787 ASXWFYDVEAXPBG-UHFFFAOYSA-N 481.666 4.858 10 40 JJCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085988 LCQPHNKVZQYMKU-UHFFFAOYSA-N 494.798 4.870 10 40 JJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 112297762 BFTQDPJOZNEMEP-MOHJPFBDSA-N 475.574 4.771 10 40 JJCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225517540 FYOWDSQHQVNLHK-NRFANRHFSA-N 486.465 4.701 10 40 JJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)NC1=S 408777911 LSZMWGQJKZMEHQ-DTQAZKPQSA-N 474.567 4.701 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 408801992 XPPOHJVXVODXMG-PXLXIMEGSA-N 456.498 4.639 10 40 JJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c4ccccc34)C2=O)c1 408851190 JLLOHOIMQYHVPD-RCCKNPSSSA-N 474.513 4.702 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408873475 UOAZUTRXYMNBNS-JWGURIENSA-N 492.547 4.531 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 408960051 IOHBCUPMHQYHPS-UCQKPKSFSA-N 474.536 4.635 10 40 JJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)N(c2ccccc2)C1=O 409020928 VWBNKOFFEZVBFB-UQQQWYQISA-N 471.557 4.736 10 40 JJCB O=C1N[C@H](c2cc(Br)cc(Br)c2O)Nc2sc3c(c21)CCCC3 3186519 ZBCRDGBHAOHKGC-AWEZNQCLSA-N 458.175 4.712 10 40 JJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 8450575 DJYOQCCFWYDUOV-DEDYPNTBSA-N 460.559 4.781 10 40 JJCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(OC(F)(F)Cl)cc1)c2[N+](=O)[O-] 8868090 SANMWHGOQRSVRK-UHFFFAOYSA-N 472.787 4.790 10 40 JJCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 10232805 QQHCIWOUJKIMQU-UGMNDJHYSA-N 486.354 4.773 10 40 JJCB Cc1ccc(C2=NC(=O)/C(=C\c3cc(Br)c(O)c(O)c3Br)S2)cc1 13476710 MTTVIEULRKSDBO-KPKJPENVSA-N 469.154 4.992 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCN(c3ccccc3)CC2)cc1 16913989 FYZQBPOKIRISFF-HCVGEQHMSA-N 486.704 4.949 10 40 JJCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 408530477 LYTCAELXQAHIGM-LFVJCYFKSA-N 471.557 4.742 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408537678 WPXHXAHORDFCSZ-IBCOTZFFSA-N 496.519 4.679 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408692355 KQCDGPBQWLCHAK-YBFXNURJSA-N 468.937 4.640 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1 408869814 UGLCXXCTKNCORH-PCLIKHOPSA-N 484.552 4.968 10 40 JJCB Cc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 9208160 JHQZLPDFJTZPHH-DHZHZOJOSA-N 471.557 4.713 10 40 JJCB Cc1cc(CN[C@@H](C)c2cc3ccccc3o2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9671476 KYUPZWNVHRWHGN-FQEVSTJZSA-N 493.629 4.712 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1 13073876 SLHRKNNHAFUFOX-BJLUOBIUSA-N 465.552 4.852 10 40 JJCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)c1C 27549101 KEHSUHILJKGKRC-LPYMAVHISA-N 496.523 4.674 10 40 JJCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 27572710 XLUSPGAHNJQNFO-RYEMSDEPSA-N 485.949 4.592 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223558982 XFQCYJFFOVTTST-DQEYMECFSA-N 455.587 4.757 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 408867816 KBXFIJRAIZTXLB-CJLVFECKSA-N 488.927 4.774 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl 408882298 NIUXOPUXLSBNKV-XDHOZWIPSA-N 483.307 4.944 10 40 JJCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 408934674 BNRHHNIOFARKLE-KGENOOAVSA-N 494.956 4.858 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 408983847 NSUSGVZEQQCKQO-BOPFTXTBSA-N 465.849 4.791 10 40 JJCB COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 409129300 ROJNANBZEAVUQL-IDUWFGFVSA-N 491.388 4.571 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)c(C)c1 409131151 MDRDIPSJERHJQT-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 409215618 CJZFLGIVJYOCJH-SRZZPIQSSA-N 480.927 4.726 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 8451799 LUDNBMVBJUUIFR-ZVHZXABRSA-N 456.546 4.551 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 8495655 GPRPILFUHBVNID-VGYDTZGLSA-N 459.936 4.796 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc3c(c2)OCO3)C1=O)=C\c1ccccc1 8820571 BWMDDVSAOQCYOC-JVAASGMSSA-N 466.584 4.982 10 40 JJCB Cc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(C)cc5)S4)CC3)=NC2=O)cc1 17293515 RCSJTQZHWYWCTG-KBNZVFGVSA-N 488.638 4.562 10 40 JJCB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)C(=O)N=C3S2)c1 33457433 OMBSHRDDZXTPFT-JKJUGIAJSA-N 487.497 4.861 10 40 JJCB CC1CCN(C(=O)C2=CN(c3ccc(OC(F)(F)F)cc3)c3ccccc3S2(=O)=O)CC1 49003822 CCRXJNYDXDGAFD-UHFFFAOYSA-N 466.481 4.611 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc2c(c1)OCO2 223501776 UJMHOHFXQZBJAS-FTJBHMTQSA-N 483.597 4.786 10 40 JJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(C)c1 247877161 OZTSBQDIAYECQV-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 409201022 UNBLZNKREAMHIR-YBFXNURJSA-N 455.517 4.819 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1Br 409339975 NWOSQTRRVBUFRI-GDNBJRDFSA-N 483.434 4.846 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(OCc2ccccc2)cc1 2233369 FYOZBRPOSFWEHP-STZFKDTASA-N 464.543 4.951 10 40 JJCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2255003 GMMSIVBKPCYJGI-GRSHGNNSSA-N 482.606 4.611 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C(O)=NC2=S)cc1 2811587 MXMMJWMYQVHJHA-UNOMPAQXSA-N 462.483 4.633 10 40 JJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 8819299 DASMXBCNLBUINI-BOPFTXTBSA-N 466.506 4.944 10 40 JJCB CCCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)nnc1-c1ccncc1 9580319 NKDPSCFFKJLHIB-UHFFFAOYSA-N 489.601 4.904 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1 9659814 KOCPMMHQBFDHDE-SVBOREBNSA-N 482.949 4.987 10 40 JJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 51364658 CCOBDWHEZJQITP-CIKBWMHTSA-N 466.924 4.963 10 40 JJCB O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 59488074 ANJRCHZNXMRKAO-UHFFFAOYSA-N 498.564 4.943 10 40 JJCB COc1ccc(-c2nnc(N/C=C3/C(=O)N(c4ccc(Br)cc4)N=C3C)s2)cc1 101114447 WGAVXUGKEAJFKU-GZTJUZNOSA-N 470.352 4.695 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)nc1 225509679 IWVXFZOLCPUTRO-SXOMAYOGSA-N 496.640 4.804 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC 408811005 QJMMWQDXEPZFCW-LDADJPATSA-N 472.925 4.593 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 408811484 VSTCBESGIVDLLR-OVCLIPMQSA-N 463.715 4.556 10 40 JJCB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C4/NC(=S)NC4=O)c3C)sc3c2CCCC3)cc1 408854595 JCJGQBTZJHUQHN-DEDYPNTBSA-N 490.654 4.940 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1ccccc1F 408874419 BGQVIQPWHOCMPT-FYJGNVAPSA-N 458.489 4.708 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 9259363 ASIVHRMEKDENBP-UYRXBGFRSA-N 455.461 4.636 10 40 JJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ncc(Cl)cc1Cl 9580375 MOSMKQWBMAGJAL-UHFFFAOYSA-N 489.698 4.613 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 12285155 KCXZOASRKXIEGF-UDWIEESQSA-N 466.896 4.918 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOc1ccccc1OC 13898582 ZVUMDZCGPCWSKU-QNGOZBTKSA-N 459.589 4.773 10 40 JJCB O=C1N=C(Nc2ccccc2)S/C1=C/c1cc(Br)c(O)c(Br)c1 15011997 LBRPIXNVKKLUFC-MDWZMJQESA-N 454.143 5.000 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 23402423 PDDBVJPOBQBTLM-ODLFYWEKSA-N 484.295 4.942 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 26686963 UWKPXBDJELUXAB-NDENLUEZSA-N 496.522 4.817 10 40 JJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 32110014 UIWDYZPTKGTDEL-RQZCQDPDSA-N 451.331 4.687 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N2O1 41078477 RWXSDLLNQMFSBB-LEHBZZPOSA-N 451.910 4.865 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223543838 MTKHMNMHRXNFTQ-LOSJGSFVSA-N 454.603 4.760 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Br)cc1 223617782 IUKURTSFJYWFFV-FCHUYYIVSA-N 485.451 4.607 10 40 JJCB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1 408816859 VIXKFJFREBHUCS-UHFFFAOYSA-N 467.796 4.940 10 40 JJCB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409072602 TUMHWGNEYXPVAX-OYZNXWOWSA-N 453.347 4.999 10 40 JJCB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 409332988 UBSVFOJJZJJJDX-YVLHZVERSA-N 478.389 4.715 10 40 JJCB COc1ccc(-c2cnc(SCC(=O)Nc3cc(OC)ccc3OC)n2Cc2ccco2)cc1 1328820 VOWKAKQFULSOOF-UHFFFAOYSA-N 479.558 4.948 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 1762229 UASFJWIUYFSMRX-FCQUAONHSA-N 491.638 4.884 10 40 JJCB N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 8721912 MXFMLXCRBXAJEP-COGBYSKYSA-N 494.598 4.654 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccs5)SC4=NC3=O)c2C)cc1 9273979 MUWZXVVEBWUYKA-ODJOWLHGSA-N 461.572 4.832 10 40 JJCB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N=C2SC(c3cccnc3)=NN12 41074345 STUGSYVRQVYECA-JLFKZYKSSA-N 481.566 4.663 10 40 JJCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Br)o2)SC1=S 98086562 FJAFGPIAMXVXEE-GDNBJRDFSA-N 452.351 4.775 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)c1C 102677211 OREWNDKABKVJMN-DNVJHFABSA-N 485.923 4.652 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314812 WFJGZRKHWAJPCO-OPXMRZJTSA-N 490.629 4.647 10 40 JJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409346082 NBNMYEZYWWQPPK-BOPFTXTBSA-N 484.437 4.925 10 40 JJCB Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 9216233 GYZXBJITUWBWEU-KYTOZCRMSA-N 483.553 4.515 10 40 JJCB COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1Cl 9309776 HREWUSGTGQRXEV-PDUPYCKDSA-N 490.010 4.704 10 40 JJCB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 10037263 HJYUJBLVQACTSD-UHFFFAOYSA-N 479.650 4.892 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCN(c3ccccc3)CC2)cc1 16913984 FYZQBPOKIRISFF-WVLUXFODSA-N 486.704 4.949 10 40 JJCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 107877596 BEJQRRCDUPRGHP-QNGOZBTKSA-N 450.541 4.845 10 40 JJCB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 408537523 VXNYFDLYVUJGGX-BVERRDJJSA-N 499.350 4.863 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408809473 RSRCYMQKUBRUNZ-YBFXNURJSA-N 483.307 4.944 10 40 JJCB O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1Cl 9428531 ZWGYHBOAIHUCIY-UHFFFAOYSA-N 455.322 4.896 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(I)cc3)c2C)cc1 25390187 QHAFWJHXVUORLY-UHFFFAOYSA-N 489.309 4.747 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2CCOc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1 33762617 FFWVLMOWZVYVDR-CPNJWEJPSA-N 473.407 4.681 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1C 408781532 BILGDHFSUOKVLJ-SFQUDFHCSA-N 474.567 4.755 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2c1 408783864 NXPGZUQUDGCNJR-PXLXIMEGSA-N 460.555 4.777 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C)cc1 408809638 IDDFZOVUHBYXEC-HYARGMPZSA-N 470.525 4.866 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C 409238176 WAZVBTPVVSEVOG-MHWRWJLKSA-N 458.967 4.666 10 40 JJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl 2377743 POJMBMGRLMTBDI-RGEXLXHISA-N 491.975 4.873 10 40 JJCB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 17113545 WOFUUGASROODHL-GDLZYMKVSA-N 486.660 4.833 10 40 JJCB OCCOCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 31938648 KZLMZAAAQRUNKZ-SDPNRITHSA-N 478.580 4.618 10 40 JJCB in-vitro Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O 225505715 WAKAUCOCKRWTLO-RRPNLBNLSA-N 497.624 4.806 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408814637 VWTSBRISTJBLRO-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Cl)c1 408870515 GALCZVBMIPDWFV-UNOMPAQXSA-N 450.922 4.901 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C 409189088 IFVAEEOHEDELJI-XDHOZWIPSA-N 493.972 4.585 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12 409201834 QHIPGDXZFGMPQM-PDGQHHTCSA-N 465.912 4.887 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1ccccc1 2084048 WRVZGEBTXXDIPQ-YBEGLDIGSA-N 497.379 4.758 10 40 JJCB O=S(=O)(O)c1cc(/N=N/c2c(O)ccc3ccccc23)c2c(S(=O)(=O)O)cccc2c1 4887216 FGGCKWDBLWGZNA-QURGRASLSA-N 458.473 4.607 10 40 JJCB CC(C)N1C(=O)/C(=C/Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O 8431390 NWYYMXZFMUWXIA-XYOKQWHBSA-N 456.713 4.935 10 40 JJCB Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c(C)n1-c1ccccc1 9872094 ZAJWWYVTWRJCLJ-ZXYASIKESA-N 482.584 4.552 10 40 JJCB COC(=O)c1cc(Cl)ccc1OC[C@@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 16941216 GFYLSAIXRSWJGI-SFHVURJKSA-N 474.340 4.863 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 33710142 DRJOUSKBCGVGST-HAHDFKILSA-N 458.489 4.603 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 222906835 IVBCQQQEBMOOMK-UHFFFAOYSA-N 479.646 4.737 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2[C@@H](C)CC1(C)C 223582812 APVDIECSEOZYQH-YODDIOPGSA-N 475.545 4.502 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225509560 QTIBHDOQOKCKJR-IZZNHLLZSA-N 496.640 4.804 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)NCc1ccccc1 409141764 IXCNEVSGKQQAQB-CFRMEGHHSA-N 498.633 4.754 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1C(=O)O 409208254 BKYBDGXXRIYGGD-LICLKQGHSA-N 498.322 4.766 10 40 JJCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1cccc(C)c1 8495698 BWUGSGADDSXTPC-LTQDZZRLSA-N 498.358 4.762 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc1 8819138 RBQYSKGIGVMVRP-GZTJUZNOSA-N 455.586 4.535 10 40 JJCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 15938947 SXSHLCDGENRXEA-YBEGLDIGSA-N 477.782 4.988 10 40 JJCB Cc1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 32109797 GEPZLOFHAGHXQE-WOJGMQOQSA-N 451.866 4.895 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 41082537 SKXNWBGURNXVSY-NMESBGBPSA-N 481.936 4.955 10 40 JJCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=N)N2N=C(c3cccs3)SC2=NC1=O 41108175 XOTYHMVGWQLTCY-HUMIGVHUSA-N 452.952 4.563 10 40 JJCB COC(=O)C[C@H](c1ccnc2ccccc12)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221322 VHEDHNVYYZPHLV-GOSISDBHSA-N 483.476 4.820 10 40 JJCB biogenic CC(=O)N1C(=O)[C@@H](/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2cc(Br)ccc21 101008348 VJLVGJIGYIINAZ-OLWAXZHHSA-N 491.363 4.514 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223480626 ABAPAIVXNLLEDR-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223692750 ACBYMZZMCTYYPF-RPBOFIJWSA-N 462.619 4.642 10 40 JJCB Cc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O 224938058 OCAGHFHXKODVNL-QFIPXVFZSA-N 471.667 4.655 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1O 260909954 BDHKHDBHDNWPQQ-PUZWTLIVSA-N 483.037 5.000 10 40 JJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 408531830 RWCXVHWYCWJACM-NVNXTCNLSA-N 469.371 4.508 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC 408782170 IFOMDCPCIQEJEJ-LICLKQGHSA-N 487.350 4.530 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(OC)c3)C2=O)cc1 408876943 RXCNFXWPTPFUFT-HYARGMPZSA-N 458.489 4.654 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2cccc(F)c2)c1 408890799 ZLFSPBAZBDYKQZ-SRZZPIQSSA-N 480.879 4.733 10 40 JJCB O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1 409080739 MNFTWWFOEHPKJP-JJUBJSHISA-N 479.583 4.978 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1OC 409146511 UARUEFXUGYJGHC-GOSISDBHSA-N 480.449 4.871 10 40 JJCB O=c1cc(C(F)(F)F)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c2o1 1614472543 QEDRZBSAZITOEU-OBJYKIKGSA-N 474.523 4.912 10 40 JJCB biogenic O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(I)c1 8820300 XRDCJHYAFOVPNT-RVDMUPIBSA-N 498.367 4.504 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 9310955 BNRMYDJSLDMMCX-GDNBJRDFSA-N 472.240 4.828 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1 9311488 NMRSAALOOLJJDX-IWIPYMOSSA-N 464.525 4.926 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18083998 SRPBONRGTZUWMR-ZNZIZOMTSA-N 455.558 4.892 10 40 JJCB Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)c1 19791759 ZVYSKOYVOSUSKU-UHFFFAOYSA-N 462.468 4.674 10 40 JJCB biogenic CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 408804542 ATFOSVFCTCYRIN-OQLLNIDSSA-N 463.715 4.558 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 409246272 ACMMXNBGTGNMSD-RGVLZGJSSA-N 480.473 4.767 10 40 JJCB COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=S)cc1 1800051 QXJQRSQJJSNUKR-QGOAFFKASA-N 456.545 4.649 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 9136133 AXDRJKRUCSFASN-LMEPTBFJSA-N 478.574 4.799 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1 27827318 YKYWSAZSMLHYBN-SVKNRIHUSA-N 470.510 4.595 10 40 JJCB COc1ccc(N2CCN(CCOc3ccc(-c4n[nH]c(C)c4-c4ccccc4)c(O)c3)CC2)cc1 39354651 OQFUXSXFOGVSAC-UHFFFAOYSA-N 484.600 4.967 10 40 JJCB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 223171117 QKDAUCFCPZWOHH-LJQANCHMSA-N 492.085 4.747 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(F)cc1 408807954 LSWVNYNPXHGSJZ-LDADJPATSA-N 480.879 4.733 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c(Br)cc1O 409340480 XVQQOWQCXXZLQD-RQZCQDPDSA-N 466.378 4.968 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3OC)C2=O)cc1 8820062 HGCGSXSFFCBNNV-PGMHBOJBSA-N 498.626 4.882 10 40 JJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 8921368 OFRFLHPUGYZCMO-HNNXBMFYSA-N 486.775 4.813 10 40 JJCB CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)sc(C)c1C 10232786 LOTMEMXQDONASG-UVTDQMKNSA-N 480.658 4.833 10 40 JJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 10232828 FNNWTXLCUPCRNR-RXWSAZGZSA-N 480.523 4.752 10 40 JJCB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 13676239 IOXUPIPHLXYYAR-UHFFFAOYSA-N 477.630 4.573 10 40 JJCB CC1=CN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4F)c(Br)c3)C(=O)N=C2S1 41083700 RJOQQASEBVFWCA-KOPIEYAMSA-N 486.322 4.974 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)cc1 408740806 IDZJPAXZOGPILD-BKUYFWCQSA-N 494.414 4.996 10 40 JJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCCC)c(OC)c3)C2=O)cc1 408901446 YFXMPNPPLLIUAY-UYRXBGFRSA-N 486.952 4.983 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)c2C)cc1 409209571 GPAMSPFAQGDIKL-STZFKDTASA-N 463.584 4.649 10 40 JJCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 654436 YTWUFFJHMUAVNK-UUYOSTAYSA-N 482.964 4.686 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 2727127 CEHUTNOJSOMDAS-JAIQZWGSSA-N 493.903 4.961 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 3864600 COZDQBFQAZBVAI-HKWRFOASSA-N 456.589 4.801 10 40 JJCB COc1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1OC 8744286 JIXYACKKOMKHQQ-ULJHMMPZSA-N 459.571 4.650 10 40 JJCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8823939 CCOBDWHEZJQITP-BRYYZUPOSA-N 466.924 4.963 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1ccc2c(c1)OCO2 8899792 VCXPVKDTLAJMFO-UHFFFAOYSA-N 477.498 4.577 10 40 JJCB CSc1ncc(Cl)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 9470404 FLZFBHAALWCUGB-UHFFFAOYSA-N 481.908 4.901 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 107934451 JEUOVVTVZXQCKA-NDENLUEZSA-N 493.357 4.807 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1 408871687 ZCGKWKCWWXUWNH-HMMYKYKNSA-N 461.315 4.706 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 408956753 YHADSVATAVBRFB-FSJBWODESA-N 484.552 4.592 10 40 JJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409058016 RKEATMRJYJVFOT-KQWNVCNZSA-N 476.573 4.886 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 9892610 XAKWTTNQONCLNI-ZVHZXABRSA-N 456.546 4.551 10 40 JJCB COC(=O)c1cc(NC(=O)c2cc(Sc3nccs3)c3ccccc3c2O)cc(C(=O)OC)c1 16194033 PSKYJBZOVJFFBS-UHFFFAOYSA-N 494.550 4.979 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccccc1OCc1cccc2ccccc12 16526325 QBMGJYAJUNEBIO-UCQKPKSFSA-N 492.487 4.814 10 40 JJCB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)c1 33781810 RCNHNHZJRRBGHD-LDADJPATSA-N 451.573 4.750 10 40 JJCB O=C1C[C@H](c2cccc3ccccc23)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221596 IDPGHQBBECCKOX-QGZVFWFLSA-N 482.444 4.877 10 40 JJCB biogenic Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)c1C 100731417 OREWNDKABKVJMN-XPWALMASSA-N 485.923 4.652 10 40 JJCB CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 103791050 FPHFQSTWRJUZDK-XDHOZWIPSA-N 490.313 4.741 10 40 JJCB COc1ccccc1NC(=O)CC(=O)N1N=C(c2ccccc2)[C@H](/N=N\c2ccc(Cl)cc2)C1=O 104292059 LGWYBQFNPXEUSO-NFOKUVPFSA-N 489.919 4.603 10 40 JJCB CCOc1c(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cccc1OC 110422891 FWIRFLXELIFCCH-VXLYETTFSA-N 472.632 4.543 10 40 JJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(Br)cc4C)N=C3C)ccc21 408526636 BVZFOKCGZNZFNM-AQTBWJFISA-N 482.382 4.632 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408776273 YATNCXKULXVODI-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(Cl)c1 408807739 HMNGORSLGMMCIY-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1C 408843589 GEKLVDPPZJGVLO-ZVHZXABRSA-N 494.507 4.881 10 40 JJCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 409148205 XUGXIYLDFWSTLK-KQWNVCNZSA-N 477.655 4.954 10 40 JJCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 409235781 QNCXLQALMKYQEF-JAIQZWGSSA-N 462.930 4.561 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1O 409331291 NUXCKGLICPMQGT-DHDCSXOGSA-N 483.352 4.720 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 1245394 UDYWTUSKMCDULA-QAIWHXNASA-N 454.617 4.930 10 40 JJCB C/C(NCc1ccc2c(c1)OCO2)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 20287967 HGSOYWRYBVBKKX-KQWNVCNZSA-N 468.538 4.840 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 34687848 LGKFQXMTQPUZQF-NDENLUEZSA-N 493.903 4.687 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc(Cl)c1O 59861331 LLVRLTIQYBDIDE-WUXMJOGZSA-N 465.687 4.632 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1 205859943 YZVKLCWXPURHQK-HZHRSRAPSA-N 459.571 4.906 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(O)cc1 223462140 WTVSIEWVSPVMDX-RPBOFIJWSA-N 455.587 4.762 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 223481033 SNQQKGFKMRIDJH-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)O)cc1 408633998 QVBXECCHSZXALN-JAIQZWGSSA-N 455.536 4.818 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 408787111 RPZFCCUPZMVVPO-KGENOOAVSA-N 464.905 4.957 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)NC1=S 408856202 JICULYPSYDKNNL-YBFXNURJSA-N 493.972 4.585 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 408876869 OMRUWNCLQSAQHN-STZFKDTASA-N 474.488 4.642 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Cl)cc1OC 409115112 KEQUKLJYGUJAGF-MDWZMJQESA-N 465.358 4.540 10 40 JJCB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1 409167629 JBBRAGKUVDAENB-FYJGNVAPSA-N 467.616 4.992 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 409248226 GYUDJNNBJBBZCO-HZHRSRAPSA-N 473.598 4.941 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 2449169 CNIPZZGPWDTSCR-UBFVSLLYSA-N 455.460 4.987 10 40 JJCB COc1ccc(CCN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 20288587 DJYPZWTWOVLHPX-XHPQRKPJSA-N 471.557 4.570 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C\c4cccc5ccccc45)C(=O)N=C3S2)cc1OC 33491971 BGZJUBPZRKICHI-GBEVANGZSA-N 456.527 4.719 10 40 JJCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1 56946093 QKCRYUQCMUUVNC-QFIPXVFZSA-N 473.495 4.600 10 40 JJCB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222631369 WVQPHEIQAGXHKA-MRXNPFEDSA-N 467.429 4.734 10 40 JJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(OCc2ccccc2)cc1 408551554 NITYIRRWJIGALJ-UYRXBGFRSA-N 481.936 4.802 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OC)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 408728032 UVKIPBXCUWRZHY-MFOYZWKCSA-N 461.477 4.525 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 408781224 ATYLLMHGKCMCBT-LPYMAVHISA-N 463.921 4.813 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 408800565 PRGUVXJNNCQRIR-UDWIEESQSA-N 476.916 4.902 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408966887 OQUJSRURRLNUNC-GIJQJNRQSA-N 498.923 4.626 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1 8453052 LIZVTQVXITXALB-FKODFALISA-N 478.574 4.962 10 40 JJCB CC(/C=C1\SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O)=C\c1ccccc1 8763543 GPMMOGJZHSUYDI-YMGXUNRSSA-N 459.390 4.942 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1 9678744 YJLQNQTYEGADPJ-MCRQBMCVSA-N 499.936 4.865 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc1 16282744 BCQYGTWDQJAVNU-LICLKQGHSA-N 496.395 4.879 10 40 JJCB O=C1/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 40221229 FIYMPYTYIVVMDS-HKWRFOASSA-N 471.563 4.888 10 40 JJCB O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417971 PYFOKNYQJMTZGH-ZSOIEALJSA-N 468.297 4.605 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)cc1C 101133403 WUODJBGZKIXOMF-ZLNRFVROSA-N 485.923 4.652 10 40 JJCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2cccc3ccccc23)c1 107876374 NWNXNEPQFKVHHB-ONUIUJJFSA-N 463.537 4.946 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3c(OCC)ccc4ccc(OCC)cc34)C(=O)NC2=S)cc1 408776323 NRBBHJBPDFUFJW-XQNSMLJCSA-N 490.581 4.867 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 408884808 ZYSHUQRZZJGFNC-NDENLUEZSA-N 480.948 4.910 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3F)C2=O)cc1 408890729 YGEARQQMFWKLFQ-HYARGMPZSA-N 474.488 4.642 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-] 409239351 MYHCIQBUTTVMRW-RVDMUPIBSA-N 467.890 4.648 10 40 JJCB CCOc1cc(Br)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O 987479 YIHAPZGYQLPKJP-CXUHLZMHSA-N 450.379 4.955 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 9303315 GAXMDGGHMRANCN-KLUMOMIWSA-N 483.553 4.515 10 40 JJCB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 224912707 FMHALYYGXFITIJ-UHFFFAOYSA-N 469.541 4.988 10 40 JJCB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 225951812 KFSQLESXUVMMBX-UHFFFAOYSA-N 493.725 4.790 10 40 JJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408526807 CLPWGGHNSGAKKI-QNGOZBTKSA-N 487.025 4.850 10 40 JJCB COCCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 409018635 XKJTVIFMLYMUIZ-RGEXLXHISA-N 495.875 4.533 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409192760 AOYXCPBHENOADR-XSFVSMFZSA-N 474.586 4.809 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)cc1Cl 409238155 LVEXOMZIRVNGCR-RGVLZGJSSA-N 465.962 4.593 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 409240066 OFWJRTUVLXGNJH-GHRIWEEISA-N 480.929 4.608 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)SC2=S)c1 409329520 FCEPBBAKKQENOP-SXGWCWSVSA-N 464.362 4.627 10 40 JJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 8819830 UTZUNEQCZAWROI-NKFKGCMQSA-N 482.671 4.778 10 40 JJCB CC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C)cc4C)c4ccccc34)C(=O)N=C2S1 26593361 SZIJAQIGCWOMOU-FEGZGKEQSA-N 457.559 4.976 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 409208007 AEJFAZOXJVIYTD-DHDCSXOGSA-N 451.323 4.772 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC(C)C 409227855 SAZZEPSDQASLHR-LICLKQGHSA-N 472.994 4.974 10 40 JJCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 409333706 VHEXTTHGLLYKGY-KGENOOAVSA-N 464.568 4.793 10 40 JJCB CCCCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 524729307 NIWGNJSJZZMLKX-XUZZJYLKSA-N 456.627 4.554 10 40 JJCB biogenic O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(C(=O)O)c1 1818877 TYYWMUXBHFUOLK-SFQUDFHCSA-N 460.964 4.658 10 40 JJCB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 2646644 MKOHVTNWAGPGSI-UHFFFAOYSA-N 473.480 4.769 10 40 JJCB CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8819594 WGBBRRVMULPHGL-PGMHBOJBSA-N 482.627 4.503 10 40 JJCB Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Br)cc1 13895563 ZZDAOGBJMYFMEJ-CYPXAJCBSA-N 484.375 4.992 10 40 JJCB O=C1/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1 32124993 QRKMATVLJLXBLL-YBEGLDIGSA-N 497.417 4.848 10 40 JJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 36612578 DXGQAXBVORKWCM-UQQQWYQISA-N 497.551 4.995 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 223651402 YHOUGVCTEUCEOD-LOSJGSFVSA-N 462.619 4.587 10 40 JJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408805976 DGUIMFMTANHVPB-CIAFOILYSA-N 491.887 4.802 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C)c1 408881124 JPLPFKCJWLLMCP-ZHZULCJRSA-N 474.488 4.778 10 40 JJCB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)cc2)c1C 409069327 MMNOZFDFMWGUNR-IWIPYMOSSA-N 489.597 4.559 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S)c1cccs1 409345393 LQZNZAXCPZEWOJ-CPNJWEJPSA-N 452.582 4.873 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 13381961 UDSSIJUPXWYCDQ-VVIORFSUSA-N 456.498 4.788 10 40 JJCB O=C(O)c1cc(NC(=O)c2cc(Sc3nccs3)c3ccccc3c2O)cc(C(=O)O)c1 16525385 FFICCAFSVQVMRL-UHFFFAOYSA-N 466.496 4.802 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1 18179631 YGHVOHCIIRCSPE-XPWALMASSA-N 485.923 4.652 10 40 JJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 33390577 VJDZQRNGHCPJMO-SMTYPRMSSA-N 454.559 4.719 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 35107263 ZWYFFCVBVJUODI-UCQKPKSFSA-N 498.535 4.583 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 208244912 FBTJGGYENQHZIY-YRIIZNAFSA-N 484.021 4.902 10 40 JJCB O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)NCc1ccccc1 408576609 QAPBYJIYAPASLG-HMAPJEAMSA-N 478.570 4.927 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1ccccc1F 408872807 JBLCZOLNQWABMY-RGVLZGJSSA-N 464.880 4.745 10 40 JJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)C1=O 409020929 VXKSHFUATNLUHI-AGZSBTIMSA-N 477.926 4.644 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC(C)C 409245907 ASJIRPPYKDVHKB-CXUHLZMHSA-N 458.967 4.584 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1O 409326371 BABCJRBQBKCOBK-AUWJEWJLSA-N 487.315 4.550 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1O 409326563 CEOHDIRHRQOFRF-ZSOIEALJSA-N 487.315 4.550 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 1176675 MBRWSHBRZOJBAJ-UNOMPAQXSA-N 495.354 4.743 10 40 JJCB CCN(CC)Cc1c(O)ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc12 2128827 ADXKNYOMNFURJH-UHFFFAOYSA-N 470.319 4.876 10 40 JJCB biogenic O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 9805924 LLBSONKWWPNTKY-SXGWCWSVSA-N 477.691 4.807 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)cc1 14132833 LLFMTYLSIQCCOH-KGENOOAVSA-N 456.498 4.557 10 40 JJCB Cc1ccc(CN2C(=O)/C(=C/c3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 16734562 OYJXWDAIWYECGL-ZHZULCJRSA-N 476.627 4.759 10 40 JJCB CCCCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16741776 IRXFBBBMRDHGDD-XMMPIXPASA-N 472.651 4.541 10 40 JJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 32109999 CZNMAGHCLHGNPP-YBFXNURJSA-N 489.391 4.842 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 408534934 MYWLKIDCRXOUMZ-PXLXIMEGSA-N 484.508 4.588 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)nc1 409221619 TVLGEYGSRMZWSD-KEBDBYFISA-N 464.522 4.612 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 409246694 ALSKQHUUALSHAZ-MFKUBSTISA-N 470.573 4.805 10 40 JJCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCC(Cc2ccccc2)CC1 8820370 DREMYWVTBGTPSI-QTLYDGDGSA-N 462.640 4.925 10 40 JJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC 8917873 AMNWFVMQWGBSIP-QKDODKLFSA-N 479.532 4.726 10 40 JJCB biogenic CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/SC(=S)N(CCCN(C)C)C2=O)cs1 12729378 NCGLDTPIRGBMTR-XDHOZWIPSA-N 474.677 4.597 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1O 13915510 OBBDMXVYKZIJIQ-PDGQHHTCSA-N 496.304 4.840 10 40 JJCB O=C(O)c1cc2ccccc2c(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 104123500 SVWTXANWDCROMS-FCQUAONHSA-N 454.489 4.916 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(F)cc1 223225504 HAVQULGXEOSXRX-DNQXCXABSA-N 451.615 4.552 10 40 JJCB C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951872 LPMFFMWXJHITFA-OAQYLSRUSA-N 493.725 4.933 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1 408814536 VSTFLUBEFANYQC-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C 408960885 PGZFYVXUBSOXKW-UCQKPKSFSA-N 474.536 4.635 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 409106218 MXWYPCUZZXYBGL-ZDLGFXPLSA-N 476.360 4.704 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)SC1=S 9972575 YDOTUYSZTYMPPK-YVLHZVERSA-N 463.964 4.847 10 40 JJCB CCc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113161 GWYLBAUGZWKLLL-UHFFFAOYSA-N 491.657 4.751 10 40 JJCB COc1cccc(OCCOc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)c1 13943874 XQBFUXATXFMEHE-JLPGSUDCSA-N 458.514 4.968 10 40 JJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc(OC)c(OC)c(OC)c2)cc1 20288851 WBDKYMMMJUDWKP-ULJHMMPZSA-N 473.529 4.858 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@@H](c2ccc(OC)cc2)N2CCOCC2)c1O 20412150 QTNDSMLVNDGMIC-HSZRJFAPSA-N 492.597 4.923 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 33321559 CGPBDIKUCQOWOH-BKUYFWCQSA-N 486.480 4.788 10 40 JJCB CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408538411 MMWPMQMHQYYWSM-PDGQHHTCSA-N 472.925 4.680 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC(C)C 408897263 IRBVZYMVSZSXOZ-VCHYOVAHSA-N 456.926 4.809 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 409408960 SGVBDBXVQFFEGP-MOSHPQCFSA-N 493.357 4.888 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(C)CC3)C2=O)cc1OC 8819948 CMLHVXFNYMQQLW-PGMHBOJBSA-N 476.664 4.724 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)cc1Cl 9262695 ZJZWIIADOSLOLX-WOJGMQOQSA-N 480.929 4.746 10 40 JJCB Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccccc1 13147712 XIMTWUCGRFZSML-UHFFFAOYSA-N 451.832 4.957 10 40 JJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCCOC(C)C)cc1 20288473 IYFAPMCOSMRRLH-XLNRJJMWSA-N 464.591 4.735 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc2c(c1)OCO2 223465585 XTGCIMWATZNVID-FTJBHMTQSA-N 483.597 4.786 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223692320 NFALPXYAFMQNIK-DQEYMECFSA-N 462.619 4.642 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)cc1 408770703 AYRNCJXSSBHSCJ-OYKKKHCWSA-N 471.582 4.658 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1O 409330761 MJOBPRBQEPJUHO-NVNXTCNLSA-N 481.349 4.867 10 40 JJCB COc1cc(Br)c(Br)c(/C=C2\SC(c3ccccc3)=NC2=O)c1O 997885 YBEGTIQWWOMMRS-QPEQYQDCSA-N 469.154 4.987 10 40 JJCB N=C1/C(=C\c2c(-c3ccc(Cl)cc3)nc3sccn23)C(=O)N=C2SC(c3ccco3)=NN12 9243327 IZAHFNJRWJTRLM-HDUWINQVSA-N 478.946 4.977 10 40 JJCB Cc1cc(I)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1O 9296736 MNOWHZBOSQFZJC-NTEUORMPSA-N 459.374 4.839 10 40 JJCB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15412890 PCDMTBVPBBIMPE-MHZLTWQESA-N 457.574 4.889 10 40 JJCB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 17749282 QQNUDMLYCGDPJK-UHFFFAOYSA-N 457.486 4.722 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCc2cccc(OC)c2)cc1 20288434 ZXOUAODVBSZEID-BWAHOGKJSA-N 457.530 4.527 10 40 JJCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 33528237 VZCKHACPVHHGFV-NDENLUEZSA-N 452.869 4.528 10 40 JJCB COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(I)cc4)N=C3C)sc2c1 103785115 FMMHKQVHJNGDMS-GDNBJRDFSA-N 490.326 4.628 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1 169684224 UHDIDDINXMOJFI-TWJOJJKGSA-N 487.511 4.843 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c1 408968519 ZZNFJYYXFXYRPS-IWIPYMOSSA-N 457.530 4.672 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 997101 UXGAJHKGYFBERI-UHFFFAOYSA-N 471.387 4.903 10 40 JJCB COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 13025217 GPILZJRTBYCKBC-RUZDIDTESA-N 489.572 4.579 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccccc3OCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 33012933 QXOUZLICGSIUKH-UHFFFAOYSA-N 484.556 4.595 10 40 JJCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F 33366379 NDTJQBNZAMQLPH-XDHOZWIPSA-N 497.320 4.637 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 208195242 GSYKSWHYRSFLAG-ONDHQXCVSA-N 453.995 4.893 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 666500 WLLXPWSTDGNRJU-NDENLUEZSA-N 452.869 4.528 10 40 JJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1 1416629 PLHGAONYRLDPNY-PXLXIMEGSA-N 476.579 4.820 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(OC)c3)SC2=S)cc1 8425130 DOEGVIBQDARIFN-DEDYPNTBSA-N 467.524 4.922 10 40 JJCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc2c(c1)OCO2 12414295 WRWJBYGDHPMUEQ-GRSHGNNSSA-N 452.469 4.989 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1 16050799 DICILTLCJMMADA-UHFFFAOYSA-N 468.431 4.994 10 40 JJCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 20030456 CMBQMAIAEQZARQ-GIJQJNRQSA-N 467.865 4.541 10 40 JJCB COc1cccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1OC 20288409 KJGQVIZLDGKENS-JWGURIENSA-N 458.474 4.749 10 40 JJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C 222882325 AUMPAKVTMHHFNA-PKTZIBPZSA-N 465.579 4.788 10 40 JJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409009473 AHTFOPFFYLFPNS-GZTJUZNOSA-N 471.307 4.680 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409246863 KHZZOKLORLKQPE-NGWPFTMJSA-N 458.967 4.666 10 40 JJCB O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 18069129 SLHJDPBGYJAXIR-UYRXBGFRSA-N 458.315 4.700 10 40 JJCB COCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 22708944 DBCGDULFCPOEDG-GHRIWEEISA-N 473.023 4.955 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 41078497 AUTBMRSTQHZGMZ-IKFXFJJLSA-N 467.909 4.565 10 40 JJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 59594830 ZDKNQSCAHWAPLO-HYARGMPZSA-N 489.597 4.505 10 40 JJCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 103524057 BAUSIIWMFSARGA-FXSWLTOZSA-N 480.564 4.853 10 40 JJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 208442264 CIBVQTYFTHKBID-NDENLUEZSA-N 464.953 4.503 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 223012487 UDWVEFIFOVGCGY-IZZNHLLZSA-N 477.678 4.954 10 40 JJCB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956876 UHUKHCRACBLMTP-IAGOWNOFSA-N 459.063 4.699 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)cc1 408875486 FYCJTRSMACVYIH-RCCKNPSSSA-N 491.341 4.715 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408956874 YXAWMYFAJBRFHA-ZVHZXABRSA-N 492.487 4.814 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)cc1Cl 408991329 ZXEFDXDDPZDDBD-JAIQZWGSSA-N 492.919 4.939 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409230251 XTWQAIAQZXTKBJ-VGOFMYFVSA-N 465.358 4.540 10 40 JJCB Cc1ccc(S(=O)(=O)c2cnc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2N)cc1 1390408 NOJUUFIBNMYERV-UHFFFAOYSA-N 463.588 4.589 10 40 JJCB CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 1900776 RJRSKQDZBYMIOE-UHFFFAOYSA-N 465.424 4.938 10 40 JJCB biogenic CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 2256462 NIHBRKGFBMKJCS-JWGURIENSA-N 476.627 4.954 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(CCCOc2ccccc2)c2ccccc12 9076078 SIMCELPAASCCCY-ULJHMMPZSA-N 483.499 4.916 10 40 JJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 10232824 NZIYOTQDTWFMTF-RXWSAZGZSA-N 480.523 4.752 10 40 JJCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1cccc2ccccc12 104124000 AJQQUMFFWDHJIC-CWHMERMBSA-N 493.570 4.777 10 40 JJCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc12 107931199 CAAJVIBCONZHRN-JJIBRWJFSA-N 450.494 4.889 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1 223518592 PLBZVWQIEZMUPN-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223692368 NFALPXYAFMQNIK-RPBOFIJWSA-N 462.619 4.642 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1O 408901215 CDBSECBSGGDAQZ-XNTDXEJSSA-N 483.352 4.801 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 409096684 KHUCRBFOZIIVFB-DHZHZOJOSA-N 484.133 4.821 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 409209558 GNAGMWNYQREBMT-VXLYETTFSA-N 451.481 4.779 10 40 JJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1 409329846 HKDNJTRAXSTIDK-DEDYPNTBSA-N 482.608 4.882 10 40 JJCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCc4ccc(F)cc4)c4ccccc34)[C@@H]21 1565524641 QGKYNWFRKIOLEB-GDLZYMKVSA-N 496.586 4.676 10 40 JJCB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 13129236 BEGXIGRINPVRFV-UHFFFAOYSA-N 490.478 4.934 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 13424010 XRCIGYRXGMHPNP-BRLDDBHUSA-N 490.002 4.948 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 13896450 XDVIOCVSGOIDQY-ZQCYNNBZSA-N 478.574 4.799 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c(OC)c1 35043046 XABBOWFQDSEUHU-NDENLUEZSA-N 451.460 4.954 10 40 JJCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 100415042 RMWIOLBATDPVBO-HKBOAZHASA-N 492.314 4.689 10 40 JJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCOc1ccccc1OC 112296091 WGXKBJPHNDYSPI-JWGURIENSA-N 450.564 4.750 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223656864 UYXVQBVKTGBRRR-LOSJGSFVSA-N 462.619 4.642 10 40 JJCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223922001 BOPSBYZAIRLNQF-UHFFFAOYSA-N 480.973 4.671 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)cc1 409332517 PVWVHYJQFFRNGI-YBEGLDIGSA-N 483.352 4.801 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1ccc(Cl)cc1 1504685 PPXJEWLVKOPPFJ-NTEUORMPSA-N 453.770 4.649 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 3764421 QFYSDDUODQLJHE-UDWIEESQSA-N 462.483 4.628 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)cc2)cc1 8575659 WPIDOOFPPOSFJL-JLPGSUDCSA-N 476.558 4.523 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 9285547 KRVPVYVUOPJBJM-UHFFFAOYSA-N 486.480 4.708 10 40 JJCB CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1 9425524 WCHHLCPMRLTQAT-JUIDXRIDSA-N 478.574 4.962 10 40 JJCB COc1ccc(N2CCN([C@H](c3ccc(C(C)C)cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23157234 PSCRDLXJVGWORZ-HSZRJFAPSA-N 477.634 4.848 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(=O)O 223462839 RNGVQDPCDLHFHG-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223609175 SMAIYGLKNSUZMA-HXUWFJFHSA-N 486.465 4.701 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)C2=O)cc1C 408858886 RFHALZQGEKUSOO-XDHOZWIPSA-N 465.303 4.992 10 40 JJCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409193321 IVVBNSXWUHMCCT-HFITWMCCSA-N 474.538 4.547 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(OC(F)F)c3)c2C)cc1 3351433 UBLQZJZHKCDESB-UHFFFAOYSA-N 457.429 4.522 10 40 JJCB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 6142487 JLZYOXVPSOBRAM-CYXNTTPDSA-N 471.557 4.511 10 40 JJCB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 13025161 GCOWMYNFIJDHMW-MHZLTWQESA-N 487.600 4.872 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 14922125 RVEAQPFRWNNBHS-SXGWCWSVSA-N 463.378 4.507 10 40 JJCB O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 16449852 SQVMEOJEYVCJQB-NDENLUEZSA-N 461.405 4.820 10 40 JJCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1O 18167970 SWQASVHFACEOHY-VWPQPMDRSA-N 485.323 4.759 10 40 JJCB O=C1/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 26840784 FIYMPYTYIVVMDS-HMMYKYKNSA-N 471.563 4.888 10 40 JJCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(-c5ccc(Cl)cc5)o4)C(=O)N=C3S2)CC1 41084632 CEUOVSIJMTXFPH-XKVLWOBQSA-N 453.955 4.909 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223045907 KAVYEABYMPJHRU-DHIUTWEWSA-N 471.026 4.857 10 40 JJCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3Cl)C2=O)c(C)c1 408526613 CQWMFIJNWNCEJM-NTEUORMPSA-N 462.731 4.607 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 408812314 SEQIMUVJBWNLCC-UDWIEESQSA-N 476.916 4.902 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2OC)cc1 408847221 UGXZCYRDOHZNIK-CJLVFECKSA-N 458.514 4.946 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1 409126773 FZTJAWZIJASZOK-UNOMPAQXSA-N 461.499 4.611 10 40 JJCB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)cc2c1 931534 LZICXZYIPIREMF-UHFFFAOYSA-N 475.570 4.544 10 40 JJCB COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c3ccccc3n2)cc1 40156924 WZNLPJKEWUBRIZ-JOCHJYFZSA-N 494.595 4.542 10 40 JJCB O=C1N=C(O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 59135649 QOPBYYAWULDFET-DEDYPNTBSA-N 461.405 4.820 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223652505 XTPWIWXKMWTJQZ-GOTSBHOMSA-N 469.010 4.678 10 40 JJCB COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 408903519 ZBOYLFKEOZWNLZ-RIYZIHGNSA-N 497.130 4.868 10 40 JJCB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 8915095 MAUORQKITLUXHE-NXCFDTQHSA-N 471.557 4.593 10 40 JJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 30802262 HXQWAWQUEMCRTO-QLSUFNALSA-N 486.509 4.651 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 224004551 YUIVEFFNVZDZJJ-JWQCQUIFSA-N 469.570 4.790 10 40 JJCB CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409047764 PJZNAEOIPBUVDJ-GIDUJCDVSA-N 478.288 4.603 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409060345 QHSLMQTZPBHYSM-JLPGSUDCSA-N 484.552 4.754 10 40 JJCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c(OC(C)C)c1 1004185 FKGLRISPWBXIPW-MOSHPQCFSA-N 472.383 4.544 10 40 JJCB Cc1ccc(-c2cnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2Cc2ccco2)cc1 1355632 FXWOESPVDVOISF-UHFFFAOYSA-N 461.543 4.637 10 40 JJCB CC[C@H](C)c1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 2216165 INZKNNZSRHRPBU-SFHVURJKSA-N 459.546 4.668 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(Oc3ccc(F)cc3)nc12 2234775 PGQQEVPJHWAQFE-WQRHYEAKSA-N 469.563 4.792 10 40 JJCB O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2370844 RLZITLWQQFOSOK-UZYVYHOESA-N 490.654 4.519 10 40 JJCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 2421979 BMWNRMNTDXUXAI-ZHZULCJRSA-N 479.583 4.614 10 40 JJCB Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 10113528 HTINWATZNLTSEJ-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C1=O 13768252 HSDWLWOJDSTNLY-FKBYEOEOSA-N 479.330 4.514 10 40 JJCB COc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(N2CCOCC2)cc1OC 15109904 YHHCSSGLUIWSEY-UHFFFAOYSA-N 487.350 4.815 10 40 JJCB Cc1cc(C(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 21933165 FPPRXXQLHQGXLE-UHFFFAOYSA-N 496.734 4.800 10 40 JJCB O=C1C[C@H](c2cccc(Cl)c2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222074 SFPQIPVOTZKAFM-LLVKDONJSA-N 484.819 4.516 10 40 JJCB biogenic CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C 408960288 KSZJFOXAKKHVPS-IWIPYMOSSA-N 470.573 4.805 10 40 JJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc34)C2=O)cc1OCC 409191495 XKVBSLQEBXGJOA-CJLVFECKSA-N 488.540 4.698 10 40 JJCB CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC 409350414 YCFAUKOQJRWDBD-QNGOZBTKSA-N 486.615 4.819 10 40 JJCB CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(OC)cc2)cc1 1278752 OSHRCCOKUWRQRC-UHFFFAOYSA-N 477.542 4.728 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 8765607 LZIMWTNRXABTQF-MOSHPQCFSA-N 495.651 4.973 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 8985051 YVDIRLYFEPFCDI-GBEVANGZSA-N 494.573 4.581 10 40 JJCB O=C1NC(=S)N(CCc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 9233178 RFHRFUPWHHKDPZ-JJIBRWJFSA-N 465.578 4.559 10 40 JJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl 9259188 ITGJSXWMRHRLSR-UHFFFAOYSA-N 493.412 4.878 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c(OC)c1 9293629 VRQIMIJBVCSWBT-XDXPSGJKSA-N 485.569 4.779 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214552 UFWDCACNUPBILK-HXUWFJFHSA-N 485.968 4.936 10 40 JJCB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13675307 PRAUEINOTFEKOF-UHFFFAOYSA-N 495.620 4.712 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)N(c2cccc(C)c2)N=C1C 408534808 RGXJYEOCEBAYCN-KQWNVCNZSA-N 490.585 4.831 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(C)C 409139337 CWMIJLYESOTBHC-ODLFYWEKSA-N 477.007 4.990 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409246662 KHZZOKLORLKQPE-FBJMNJBLSA-N 458.967 4.666 10 40 JJCB COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)cc2)SC1=S 9348544 JXMVFSPUQDATHB-BFUAWKCZSA-N 469.584 4.552 10 40 JJCB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 10113112 VYCQOZUIBGVZGJ-UHFFFAOYSA-N 498.048 4.842 10 40 JJCB CCOc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OCc1ccccc1 15015519 WRVZGEBTXXDIPQ-MHWRWJLKSA-N 497.379 4.758 10 40 JJCB CCCn1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)N=C2O)c2ccccc21 33332412 GBJNNTAYKMTQQV-HKWRFOASSA-N 461.518 4.613 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 33656542 QCVXZSKFQOKCRS-WXFUMESZSA-N 454.913 4.757 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1 100415678 UHDIDDINXMOJFI-KKUQBAQOSA-N 487.511 4.843 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1O 223537619 GNNPICTZJMVRMY-DQEYMECFSA-N 455.587 4.762 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc2ccccc2c1 408692444 MQUVHTCFFRURFI-HZHRSRAPSA-N 470.525 4.832 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2cccc(Cl)c2)c1 408812697 PHTHEVDUAPVEHG-LPYMAVHISA-N 476.916 4.902 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 408870026 UYOUXDOHTLSTCN-FYJGNVAPSA-N 476.916 4.614 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)N(c2ccccc2)C1=S 409022654 FHGRIPAHJREKIP-XQNSMLJCSA-N 487.581 4.746 10 40 JJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 409108644 XVTUKBPSGKRESO-LQELWAHVSA-N 463.317 4.846 10 40 JJCB COCCN1C(=O)[C@H](Cc2cc(Br)ccc2OCc2cccc(F)c2)SC1=S 409160264 FLBJNQNGGGBDIJ-SFHVURJKSA-N 484.412 4.585 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C(=O)NC2=S)cc1 409370064 KISCQKLWLHBTKS-PXLXIMEGSA-N 460.530 4.798 10 40 JJCB COc1ccc(N2CCN(c3ccc(OC)cc3)C2/C=C/c2cc([N+](=O)[O-])ccc2OC)cc1 1717336 NWFBWMBKLJANDD-SYZQJQIISA-N 461.518 4.987 10 40 JJCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Br 8820356 XUFLKSSVYKSIDO-NPDFUIFFSA-N 459.390 4.845 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 14132697 OTIYPCNETYBIBF-RCCKNPSSSA-N 456.498 4.639 10 40 JJCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 112298744 RMWFYODFKAJIQR-ODLFYWEKSA-N 463.277 4.553 10 40 JJCB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222631304 WVQPHEIQAGXHKA-INIZCTEOSA-N 467.429 4.734 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223693373 CYNCJZSEHHFCAR-RPWUZVMVSA-N 483.037 4.987 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)c(C)c1 408882065 OZHXCMNSYJAGGL-MOSHPQCFSA-N 474.488 4.697 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)N(c2ccccc2)C1=S 409015612 OPTFCCSKCOJSHX-HZHRSRAPSA-N 488.569 4.956 10 40 JJCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccncc1 409200317 RHJVFWNVASERRT-FYJGNVAPSA-N 451.573 4.625 10 40 JJCB COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)cc2)cc1 409200516 MCWRBZHQPUNGAG-KGENOOAVSA-N 464.568 4.870 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)NC2=S)cc1 409377350 GRCOKEKEUCYOIE-PXLXIMEGSA-N 460.530 4.798 10 40 JJCB COc1ccccc1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524334 JCAJVAAEOYLQEA-LJAQVGFWSA-N 494.595 4.503 10 40 JJCB CCOc1ccccc1[C@@H]1[C@@H](C(=O)OC)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O 2244552 JJWOTPKKGPXUFC-CYXNTTPDSA-N 479.532 4.692 10 40 JJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccccc1OC(F)F 9403054 DDSOHOVFIUDARB-UHFFFAOYSA-N 485.826 4.512 10 40 JJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)cc1 18178455 GOPYGJAUHOZQFQ-ZLNRFVROSA-N 492.373 4.566 10 40 JJCB CN1C(=O)/C(=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S 26771345 VTKNOGVHHDDXGD-GHRIWEEISA-N 451.573 4.615 10 40 JJCB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C 32722415 DYHVVFVBVGUSIK-VAWYXSNFSA-N 462.575 4.894 10 40 JJCB CN1C(=O)C(=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N(C)C1=S 59139376 RLTWNTXDTQMVPP-UHFFFAOYSA-N 495.398 4.780 10 40 JJCB O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115907 MAUAIVCXWVZTEQ-KRWDZBQOSA-N 454.434 4.740 10 40 JJCB biogenic Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1Cl 223580288 IJOMXWSJKIOENG-LEWJYISDSA-N 461.418 4.761 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1Cl 408784670 RMYHSPHEYXAUJI-XDHOZWIPSA-N 478.888 4.670 10 40 JJCB COc1c(Br)cc(Br)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409123967 JJPYKZHUAFAZSH-ZSOIEALJSA-N 496.180 4.621 10 40 JJCB O=C(O)c1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 409228738 DLDXVASYEWJYLG-UHFFFAOYSA-N 493.544 4.924 10 40 JJCB O=C(NN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S)c1ccc(Cl)cc1 409340439 XGJLLQKEULTQPA-QPEQYQDCSA-N 459.763 4.899 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1O 409345764 JRXQQXUORAUOCJ-DHDCSXOGSA-N 483.352 4.720 10 40 JJCB O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12 1547139285 XFDMBUJBMDCCBL-UHFFFAOYSA-N 486.432 4.683 10 40 JJCB biogenic Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCC(C)C)nc12 2250114 SGCHVHHJVDQLDU-ZHZULCJRSA-N 478.643 4.515 10 40 JJCB CC(=O)N1C(=O)[C@H](/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2cc(Br)ccc21 8820692 VJLVGJIGYIINAZ-ZLYHGVDXSA-N 491.363 4.514 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Br)c3)C2=O)cc1 12274865 RHSWJBLHNWVVRF-YVLHZVERSA-N 477.405 4.688 10 40 JJCB Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 13799460 NCOYYBYDDHHXDN-DEDYPNTBSA-N 464.319 4.727 10 40 JJCB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 17010478 WEBZKBNYTKBVDU-NDEPHWFRSA-N 456.634 4.663 10 40 JJCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22752801 YFKPPTQIWZXDER-UHFFFAOYSA-N 494.016 4.814 10 40 JJCB O=C1N=C(O)/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccc2c(c1)OCO2 26464639 LGBZKEHHLJVTBV-WQRHYEAKSA-N 460.417 4.640 10 40 JJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 58865540 BVEIDAFSJVNJDK-UHFFFAOYSA-N 462.252 4.761 10 40 JJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408772421 OZZDGQFZTSTTDS-ULJHMMPZSA-N 474.557 4.709 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC(C)C 408802948 JLNGYYHUQHGYJB-CXUHLZMHSA-N 487.350 4.528 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(OCCOc4ccccc4)c3)C2=O)cc1 2889618 PHOCRPHWIKBTNO-HAVVHWLPSA-N 458.470 4.660 10 40 JJCB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)c1 8819177 TWPWXRIVMYMMTQ-WOJGMQOQSA-N 462.980 4.674 10 40 JJCB C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Br)ccc2O)N[C@@H]1c1cc(Br)ccc1O 13151433 OABITYYYJTZDBK-BLPKXUGASA-N 469.173 4.850 10 40 JJCB CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1 32109350 SJWAJVRVVZDJKC-ODJOWLHGSA-N 454.939 4.745 10 40 JJCB C/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(Cl)cc1 100432853 DFJWEYYNMWEJMR-ZHZULCJRSA-N 462.966 4.530 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 223481116 SNQQKGFKMRIDJH-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)C2)cc1 225526116 SHGBRNYTUXQEAZ-AOHZBQACSA-N 483.678 4.509 10 40 JJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)c(Br)cc21 408533422 SDZZEDBREJTWCR-LGMDPLHJSA-N 482.382 4.632 10 40 JJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 408815397 WOIYFJCAGJDUIC-UKTHLTGXSA-N 463.715 4.556 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1Cc1cccc(F)c1 408865978 FANACODCHCGAGL-UYRXBGFRSA-N 497.295 4.985 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccccc2F)c1 408885748 AEKIWVNVEJGYLO-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1Cl 409222832 XTNNAMVYHRDJGX-JAIQZWGSSA-N 494.960 4.795 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 657484 LACCXZXZCISONE-WQRHYEAKSA-N 496.947 4.898 10 40 JJCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 2184076 WGKLLUIMHMUFDT-FRKPEAEDSA-N 483.771 4.719 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C/c4c(C)[nH]c5ccc(C)cc45)C(=O)N=C3S2)cc1OC 8739928 VRSHRPDBFAJNJN-ZWCAKHMGSA-N 473.558 4.664 10 40 JJCB Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9670951 NXVKHWCDQQHQBG-GOSISDBHSA-N 492.531 4.740 10 40 JJCB CCOc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc(OCC)c1OCC 13007783 XHYBYTBHLLLVJL-VWLOTQADSA-N 495.664 4.832 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 16914364 VOENLVFGFBQVMF-SANMLTNESA-N 463.025 4.699 10 40 JJCB CCOc1c(I)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 34890110 HRJHGSGLMQMVEL-WJDWOHSUSA-N 480.327 4.781 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCC 408804147 WJKKKFGZZLUGBX-MHWRWJLKSA-N 487.350 4.530 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1 409330184 KHLBUAFBLQOUSF-CPNJWEJPSA-N 488.407 4.970 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)N1CCCC1 409357839 RPYMXMNUTQPFDV-PXLXIMEGSA-N 482.627 4.801 10 40 JJCB CC[C@H](C)n1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccccc2c1=O 9509068 AMAVCAMTMGBUGL-INIZCTEOSA-N 497.576 4.874 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]23)cc1 100414987 FOHKZZTYFWSEOG-CCDWMCETSA-N 479.532 4.814 10 40 JJCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422515 MFRMQJXAPZCAQK-IDUWFGFVSA-N 477.995 4.697 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1 408810981 VDPRSRINXYIYKP-HZHRSRAPSA-N 456.498 4.557 10 40 JJCB CCCN1C(=O)/C(=C\c2cccc(OC)c2O[C@H](C)CC)C(=O)N(c2ccccc2)C1=S 409017762 HCHSNTKIDZFDDS-PBEQFFAXSA-N 452.576 4.826 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)SC1=S 409049310 YYTXKXWXNIHADG-WZUFQYTHSA-N 451.205 4.774 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)NC1=S 409171491 CECBIMKYDXWCCK-KGENOOAVSA-N 459.571 4.551 10 40 JJCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc2c(c1)OCO2 409340064 PVQSDCCRHSWPPD-VXLYETTFSA-N 452.469 4.989 10 40 JJCB COc1ccc(-c2cc3ccc(O)c(CN(C)C[C@@H]4CCCN5CCCC[C@H]45)c3oc2=O)cc1 524730145 XERJQGMUQHINDR-SQJMNOBHSA-N 462.590 4.871 10 40 JJCB biogenic COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccc(C)cc4)cnc4ccccc34)CC2)cc1 2698990 ABBYAYRUJKILTC-UHFFFAOYSA-N 473.598 4.711 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 8408021 BZJLTKLMZMLKTQ-CJLVFECKSA-N 492.959 4.966 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(O)c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 16160736 UJQJLSNGAFFKQJ-KHFFFTKUSA-N 492.539 4.829 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC 96193381 YIEFYSQOXAILGK-BOPFTXTBSA-N 476.314 4.895 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275183 PHZHVEVHIRAHGX-AZGAKELHSA-N 461.679 4.894 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223722478 GMHYEFVIPUSTFW-BJKOFHAPSA-N 466.582 4.554 10 40 JJCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408529993 IJBSYUXRWBQCLR-VBKFSLOCSA-N 497.397 4.904 10 40 JJCB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCCC4)c(C)c3)C(=O)O)o2)c1 408633678 OMTMMNNTAYOBGY-SRZZPIQSSA-N 467.547 4.880 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 408816364 RPPUHOBEZQVTNQ-GXDHUFHOSA-N 463.317 4.847 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1C 408848395 UMEPTNXMPWXUIK-BOPFTXTBSA-N 465.849 4.791 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 408889166 AJPDXRQRIFCHCQ-AQTBWJFISA-N 450.853 4.725 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1O 409205614 RPZNHNCEAQXARE-OQLLNIDSSA-N 453.383 4.509 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1OC 1299403 HWZZBCVPXYUZPL-SXGWCWSVSA-N 466.378 4.881 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 8739226 FCIXBYWBMMVFLA-LPYMAVHISA-N 476.920 4.577 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)s1 12605665 OXSSZLBXFNJDBL-UHFFFAOYSA-N 483.390 4.850 10 40 JJCB O=C1N=C(O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 20210215 MGCRTLFQHUDWPS-PDGQHHTCSA-N 481.262 4.655 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 27549617 SVPOYUQTESGURV-RSPUHVBCSA-N 478.574 4.818 10 40 JJCB CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 41082591 TZLVWXMBIDRIAW-ABRWSESMSA-N 461.518 4.556 10 40 JJCB CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)sc(C)c1C 62825009 LOTMEMXQDONASG-GXDHUFHOSA-N 480.658 4.833 10 40 JJCB O=C1N=C(O)/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Br)cc1 83327236 NEWJHOJUYOAZNI-WUXMJOGZSA-N 456.079 4.968 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223656517 BMLARTCILLNZLH-DQEYMECFSA-N 462.619 4.642 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 408811978 KXJXEOQDJFNHQJ-WUXMJOGZSA-N 469.708 4.721 10 40 JJCB Cc1nc2sc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(C)c2c(=O)[nH]1 9128070 NSRJNIIJFODMGT-UHFFFAOYSA-N 469.950 4.702 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(C)c2)cc1 10113123 NRRXVFWHPMUZKJ-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(Br)c1OCc1ccc(Cl)cc1 27532440 HFICYOGTGWURLT-UHFFFAOYSA-N 479.714 4.670 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl 35352059 KIFVIROJVKRZSE-MASFNPCMSA-N 490.976 4.819 10 40 JJCB COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCN(c3ccc(OC)cc3)CC2)cc1 36370359 VBFZUUVDXJERBY-UHFFFAOYSA-N 471.532 4.949 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 41084199 OFRCXQABTLQAOO-VZKFJVGXSA-N 470.558 4.555 10 40 JJCB CCOc1ccccc1/N=N/[C@@H]1C(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)N=C1C 100525405 MMUQGXVOCDZLPM-SMIQVMJNSA-N 450.480 4.992 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 225524323 URNJSNJHKDHWKG-RRPNLBNLSA-N 496.640 4.885 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1F 408781500 SZYYLSPTZPEWRG-KGENOOAVSA-N 474.488 4.778 10 40 JJCB CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OC 408874859 DNJKWEGLJOCTJR-UHFFFAOYSA-N 458.539 4.842 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 408884447 XEQYGXPSVRGKCE-LDADJPATSA-N 495.304 4.834 10 40 JJCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(OCC(=O)Nc2cccc(C)c2)c1 409039748 DGWKLJDVNXEXMP-BUVRLJJBSA-N 455.514 4.827 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)O 12504531 VYKVUKXEWUALQJ-PXNMLYILSA-N 469.462 4.583 10 40 JJCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 34807092 OBSNFULDWDQIIR-DHZHZOJOSA-N 467.909 4.879 10 40 JJCB CCOc1ccccc1[C@@H]1[C@H](C(=O)OC)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O 35833204 JJWOTPKKGPXUFC-TWJOJJKGSA-N 479.532 4.692 10 40 JJCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O 408824296 GPIYMQIWBYGHSM-BUVRLJJBSA-N 486.524 4.648 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC 409144566 KNQIXJXTACICDF-WOJGMQOQSA-N 462.980 4.602 10 40 JJCB COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)SC2=S)cc1 409144805 GTKKZZRRLHUOJK-UCQKPKSFSA-N 491.638 4.674 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)NC1=S 409236518 SOZKOQAFYQSPNM-LFIBNONCSA-N 467.890 4.648 10 40 JJCB CCC(=O)N1c2cc(C)c(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 6461865 JAAAYEFSWRJAQA-UHFFFAOYSA-N 491.656 4.915 10 40 JJCB COc1ccc(N2CCN(C(=O)c3nc(SCc4ccccc4F)ncc3Cl)CC2)cc1 8846281 MFFDDDMFDXQBAV-UHFFFAOYSA-N 472.973 4.532 10 40 JJCB CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 13073965 OFQMXLJIUSQZOS-CJMVGXJBSA-N 459.545 4.589 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1Cc1ccccc1 18083920 RZOPRTLUUCKVMN-URVUXULASA-N 469.324 4.746 10 40 JJCB O=C1[C@H]2CCC[C@@H]1[C@@H](c1cc(Br)ccc1O)N[C@@H]2c1cc(Br)ccc1O 43705248 BNLUROIUVWWAIF-ATNYCFDYSA-N 481.184 4.994 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223687723 CXQXEDKTRBFPBJ-LOSJGSFVSA-N 462.619 4.587 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408775199 RELFCVKGVISDPE-GIJQJNRQSA-N 499.310 4.976 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OC(C)C 408802205 XPYLOFIANXWMLA-HZHRSRAPSA-N 486.524 4.728 10 40 JJCB CC(C)n1cc(/C=C2\C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2381166 GMPLANXTYAZWLH-WOJGMQOQSA-N 452.308 4.856 10 40 JJCB COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 8951592 MHPHXJSCBZGODN-UQRWVXEISA-N 471.600 4.533 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(O)=NC2=S)cc1 9010590 YKZYODZYYUEFLT-LPYMAVHISA-N 498.564 4.531 10 40 JJCB CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9281690 IDBSBQDPYUOEJN-DSITVLBTSA-N 464.477 4.617 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 9659819 NXCLGXZQZWWGOM-YBEGLDIGSA-N 450.379 4.868 10 40 JJCB CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025227 GJCLRZHXTXWAHS-SANMLTNESA-N 473.573 4.995 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 223657994 CCIFHKAMFTZYRD-ZEQRLZLVSA-N 483.037 4.987 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223692406 NFALPXYAFMQNIK-LOSJGSFVSA-N 462.619 4.642 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccccc2F)c1 408891495 RKJLTRLRLGUASY-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(c2ccccc2)C1=O 409009956 AQHXRIKMZSCOOI-RGEXLXHISA-N 495.875 4.533 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC 409088187 FGPZQVJMGPKIBR-ATTDUZETSA-N 472.426 4.627 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c(OC)c1 409103346 YCIGWSKNWYTFMQ-RGEXLXHISA-N 476.579 4.686 10 40 JJCB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(Cl)c1 409149330 BRHMKDBMDASWTK-HXUWFJFHSA-N 466.024 4.736 10 40 JJCB O=C(NN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S)c1ccccc1 409375365 JRQWPRWJBMBSPK-UUASQNMZSA-N 477.350 4.646 10 40 JJCB COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1 33745490 KVUFHERRKIBXFK-OHMBLGONSA-N 499.596 4.973 10 40 JJCB Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1 59484926 SUZXGTQQNNOLRD-UHFFFAOYSA-N 457.511 4.960 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408821776 KEOWCZWEENGJQU-ODLFYWEKSA-N 450.476 4.856 10 40 JJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1186905 VWZDTZHYRYPGHC-RGEXLXHISA-N 454.573 4.567 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc2ccccc12 1237766 INIYQZHPILLDFF-BKUYFWCQSA-N 462.552 4.799 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1C 9299878 IFKNPMIXOPDQSS-KTXRHGARSA-N 478.574 4.881 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Br)c1OC 59135478 GIMYGQFRIKYBAX-RIYZIHGNSA-N 463.259 4.502 10 40 JJCB Cc1ccccc1N1O[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 102862075 FRDITJHYSUICSB-SGNDLWITSA-N 461.949 4.766 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCC1 408779745 JONTVGHKMFWAHT-XDHOZWIPSA-N 456.340 4.649 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C 408801649 WRBDUEMSGKTHGR-CXUHLZMHSA-N 463.317 4.846 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)C1=O 409057730 QNDYVCSFLLZYNE-NDENLUEZSA-N 490.899 4.592 10 40 JJCB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)CC1 409353519 MKRRBAMTOMRLKT-ODLFYWEKSA-N 488.949 4.593 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9159667 YWSWZXCBAAYHOQ-LLXFEKPOSA-N 451.861 4.929 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 9425682 ICLKJHSADYMXEW-LGMDPLHJSA-N 476.356 4.926 10 40 JJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccccc1Br 9562077 BGRNODFBPCBJRH-UHFFFAOYSA-N 498.716 4.673 10 40 JJCB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1O 85879965 JGHGHVMPHPCMEF-UHFFFAOYSA-N 461.474 4.922 10 40 JJCB biogenic Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/NCCC(c3ccccc3)c3ccccc3)C2=O)c1 101036667 NKPODRVPSMOABD-BWAHOGKJSA-N 453.542 4.582 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223656814 UYXVQBVKTGBRRR-RPBOFIJWSA-N 462.619 4.642 10 40 JJCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)cc2)CC1 225716787 CJEQUDZISLCXSL-SFHVURJKSA-N 473.664 4.920 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 231271898 ZYZLANRSQHPIFE-DEDYPNTBSA-N 478.957 4.759 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1 260764609 KTRSZEDZRRONGN-HSZRJFAPSA-N 485.694 4.963 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(C)c1 408692081 CZLQNGXJOHKJGV-YBFXNURJSA-N 468.937 4.640 10 40 JJCB Cc1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 408767783 OEDQTYMEGOUSEN-WOJGMQOQSA-N 465.849 4.791 10 40 JJCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409132390 XQZVBNKLKQVXQR-NDENLUEZSA-N 453.589 4.504 10 40 JJCB CC[C@@H](C)c1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 2216162 INZKNNZSRHRPBU-GOSISDBHSA-N 459.546 4.668 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1 8820067 TWTFGCLUICFOSL-HKWRFOASSA-N 484.599 4.579 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 18181777 RMWIOLBATDPVBO-PCCBWWKXSA-N 492.314 4.689 10 40 JJCB biogenic COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 408577609 TZYVFJMCCGEQPC-MTJSOVHGSA-N 470.616 4.939 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 408803203 MJKUTQJDIQXQGN-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB CCOc1cc(C[C@@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc(Br)c1OC 409147029 VYOMCPHQEWAVPK-SFHVURJKSA-N 496.448 4.837 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4OCC)C3=O)c2C)cc1 409251397 PYNGTZCMJDHGPD-CJLVFECKSA-N 473.529 4.558 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c1 8441013 VGTWSQSVHGNHLV-ZVHZXABRSA-N 473.598 4.941 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9158920 ZPDISLSLTRZSFZ-SVFBPWRDSA-N 487.493 4.640 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccccn3c2=O)SC1=S 9424641 RMCUDGQQHPFAAN-VLGSPTGOSA-N 458.653 4.712 10 40 JJCB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 9665667 HJLGCPZTOWGAII-UHFFFAOYSA-N 483.362 4.887 10 40 JJCB Cc1cccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 13688682 PYMNDUIUCOVGTQ-STZFKDTASA-N 463.921 4.504 10 40 JJCB Cc1cc(I)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 15947790 FKIJYTAQWCFXFX-VPTHRUTESA-N 454.333 4.920 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)ccc1OCc1ccccc1F 16214927 FSQIMZMTYZNBIC-ODLFYWEKSA-N 491.431 4.828 10 40 JJCB CC1=CN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(Br)c3)C(=O)N=C2S1 41083710 LCYUYAUOFRTCRD-RRGLTGFNSA-N 474.361 4.897 10 40 JJCB O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1 113836071 FXONJUITWHXKCT-WOJGMQOQSA-N 452.469 4.959 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 408878244 YTKLEKYOSKYKMC-KGENOOAVSA-N 479.305 4.845 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)O 409203309 WINNSLGYJQYTMQ-LICLKQGHSA-N 498.322 4.766 10 40 JJCB CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O 6023905 NBCJHBXLFILMNJ-FQEVSTJZSA-N 495.475 4.513 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 8872511 AYTVSTNQRAOQFB-PDGQHHTCSA-N 457.280 4.625 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)NC1=S 9296190 NTDIVQSSPKLBQU-YVLHZVERSA-N 479.371 4.643 10 40 JJCB O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 9461343 IOCPUJRFSSDHEO-HKWRFOASSA-N 472.342 4.894 10 40 JJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 13669613 GROLBKULUHLSCZ-MHZLTWQESA-N 475.614 4.974 10 40 JJCB CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 13915031 NUYVNXJCIRFFIF-WOJGMQOQSA-N 487.350 4.596 10 40 JJCB CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 16730537 AWUBLGIAHXHFPO-DQRAZIAOSA-N 479.627 4.742 10 40 JJCB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 25388459 FQRYCOGLFDMAQP-LJQANCHMSA-N 493.629 4.750 10 40 JJCB Cc1ccc(OCCOCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1 26642418 WUUUUSUPHXEBSZ-ZHZULCJRSA-N 464.008 4.954 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 41082611 NVMCXDCISIXQND-ATVXKWJESA-N 461.518 4.610 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223693253 USZDVRDSODXGIH-AOYPEHQESA-N 476.646 4.950 10 40 JJCB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C1=O 409002512 OBOOTMZHCUTOJM-RVDMUPIBSA-N 499.342 4.868 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409239163 GTFFKUPXQABDDC-GZTJUZNOSA-N 474.344 4.659 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC 409240852 INXDIXORNJFVFD-OVCLIPMQSA-N 498.910 4.988 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1 409348993 TYXYTCPBWIIAFN-LCYFTJDESA-N 457.314 4.689 10 40 JJCB O=C1/C(=C2\SC(=S)N(c3ccc(F)cc3)C2=O)SC(=S)N1c1ccc(F)cc1 8870045 CPELCEIHNDXCHB-BUHFOSPRSA-N 450.538 4.606 10 40 JJCB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 9117711 RSMQWTWRBJZSAC-UHFFFAOYSA-N 475.618 4.773 10 40 JJCB O=C1N=C(O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 20210219 UOHFBUOGNYREDJ-PDGQHHTCSA-N 481.262 4.655 10 40 JJCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 33915181 ZZPSESLTDFMKQU-BJRGRWSZSA-N 496.614 4.818 10 40 JJCB COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(=O)c3ccccc3)CCCC4)CC2)cc1 36285950 JLQNBFZNGLMPQS-UHFFFAOYSA-N 489.641 4.627 10 40 JJCB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccc(N(C)C)cc2)cc1 59354190 IOVOHGYKUUWIOL-QFIPXVFZSA-N 489.519 4.864 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C 222881259 QXXNFAFIZGCXQT-XZOQPEGZSA-N 465.579 4.788 10 40 JJCB CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)cc1 256001244 SGKGZXUAHWJTIA-DEOSSOPVSA-N 491.573 4.624 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 408692191 GTEJIUUEXQIUGT-NTUHNPAUSA-N 464.261 4.566 10 40 JJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cc(C)cc(C)c2)c1 408887398 NVYBOJXTNAHQGT-BKUYFWCQSA-N 474.488 4.697 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccccn1 409240692 LTZPAILDRLOKRD-XDHOZWIPSA-N 466.950 4.818 10 40 JJCB CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)cc4)C3=O)o2)ccc1Cl 2071253 UXLGAWWLUWLREP-UYRXBGFRSA-N 450.878 4.547 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8911475 KPQNYYOFUSPRNY-LICLKQGHSA-N 477.951 4.574 10 40 JJCB CCOc1cc(Br)c(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1OC 9295919 HZFJLXXKCSCRBX-IUXPMGMMSA-N 465.394 4.653 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 13893926 IZKUFRQTNOZXGB-XQNSMLJCSA-N 476.554 4.968 10 40 JJCB O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)NCc1ccccc1 408578381 XVMBUXLOZAUTGG-ULJHMMPZSA-N 488.634 4.826 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)ccc1Br 408761980 IMEFOVFEDXDWDL-RGVLZGJSSA-N 496.336 4.971 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)ccc1Br 408897955 JVIKZNNPPJOAGI-DHDCSXOGSA-N 477.742 4.865 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)NC1=S 409244143 YMHBPZIQYKDVIU-HYARGMPZSA-N 496.548 4.738 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCC(=O)O)SC1=S 409351254 SQLNQJLPQBLIGP-CXUHLZMHSA-N 464.362 4.627 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc12 409399373 HLLPFFMTESLJHK-JLPGSUDCSA-N 465.465 4.788 10 40 JJCB Cc1c(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)s2)c(=O)n(-c2ccccc2)n1C 1554502489 DNCBWTCKTZZEMD-UHFFFAOYSA-N 471.007 4.992 10 40 JJCB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 875237 IGWJRYCBMMWWOR-UHFFFAOYSA-N 475.570 4.544 10 40 JJCB Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1 3351541 RQWRCADTLQZMBH-UHFFFAOYSA-N 455.490 4.646 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1C 8720309 NCTWMPRVERPLPX-VWLOTQADSA-N 468.557 4.538 10 40 JJCB CN1C(=O)C(=Cc2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)C(=O)N(C)C1=O 8873613 IKBPPINXMVMIJO-UHFFFAOYSA-N 468.431 4.871 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 9309717 YXBXANBWEAWTCD-IXLJKPNMSA-N 459.531 4.753 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C 41082540 QTJMNUHCVCYQAJ-AKHZZTOUSA-N 481.936 4.955 10 40 JJCB Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1ccc(C(C)C)cc1 103126004 VVMPQDHLRDCXML-GOTSBHOMSA-N 478.589 4.509 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222944487 UZXVEDKNYFZEGU-RPWUZVMVSA-N 462.619 4.904 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1 223267947 CFGYSZCZHLOMNR-PKTZIBPZSA-N 454.043 4.677 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1F 260926977 XJNAOPXRAVBPSP-PUZWTLIVSA-N 450.583 4.780 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Cl)c1 408873717 VCVHQOIWMRGNBT-BOPFTXTBSA-N 452.844 4.875 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409064104 BPTLHAJQWAEWCN-VXLYETTFSA-N 466.881 4.762 10 40 JJCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 9035590 HUPAXJUCHNUJHJ-SVFBPWRDSA-N 492.314 4.689 10 40 JJCB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 9438628 LCYLZWJWAAWEHS-CQSZACIVSA-N 461.901 4.862 10 40 JJCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1Cl 14010704 YABYFDRDESRJQJ-WZUFQYTHSA-N 469.664 4.617 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)cc1 26580380 KUXDZDCZZJTMTJ-MHWRWJLKSA-N 494.388 4.746 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1 33524829 MBQSKSBJFRWPSE-HAHDFKILSA-N 465.465 4.788 10 40 JJCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 100562409 HUPAXJUCHNUJHJ-ZJOUEHCJSA-N 492.314 4.689 10 40 JJCB COc1ccccc1NC[C@@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 101352294 ZNRSYRVKMKUKES-DZQSVEARSA-N 480.568 4.929 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc21 208471871 SQFGQRGVTLXFES-MHWRWJLKSA-N 453.901 4.777 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 225072854 YEGGMSFQEFHVJH-UHFFFAOYSA-N 472.010 4.917 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 408531058 NUJPVXXMODVXIB-SXGWCWSVSA-N 494.388 4.614 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccc(OC)cc2)cc1 408995304 LXKLIQAMIHQBKQ-JJIBRWJFSA-N 456.498 4.715 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)N1CCCCC1 409130490 IBCMPURMSMSTBP-BKUYFWCQSA-N 465.600 4.648 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 409133588 NDOQTNIIEBJFIZ-BWAHOGKJSA-N 472.614 4.535 10 40 JJCB CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 1411698 INHKCIUCEFSLOG-XSFVSMFZSA-N 478.551 4.670 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccc(OC)c4)n3C)c2C)cc1 3357459 ZPLKQHLIZQDZHU-UHFFFAOYSA-N 490.585 4.660 10 40 JJCB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)c1 8819228 HTNMEHZFLREBDY-QGOAFFKASA-N 469.613 4.925 10 40 JJCB O=C1/C(=C2\SC(=S)N(c3ccccc3F)C2=O)SC(=S)N1c1ccccc1F 8870043 SZUXXLALXBZPJC-BUHFOSPRSA-N 450.538 4.606 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(I)c1O 9233766 PMIVXNJCZYWMLV-XNTDXEJSSA-N 489.400 4.929 10 40 JJCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15998970 BAUSIIWMFSARGA-ASDGIDEWSA-N 480.564 4.853 10 40 JJCB COc1cc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)ccc1O 19948310 KTSLKRSWBWLUDA-NCELDCMTSA-N 485.609 4.778 10 40 JJCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1Cl 59416943 APKYSAKUXLQUFN-MHWRWJLKSA-N 457.269 4.721 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C 222881137 QXXNFAFIZGCXQT-GOTSBHOMSA-N 465.579 4.788 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223656756 UYXVQBVKTGBRRR-DQEYMECFSA-N 462.619 4.642 10 40 JJCB Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O 408929980 QKPWATCCGAIKJA-KGENOOAVSA-N 454.368 4.841 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1C 408965988 KSPXXQDKECYUGM-BUVRLJJBSA-N 464.525 4.926 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)OC 409329031 CHONGNQEPASBMG-NDENLUEZSA-N 457.573 4.660 10 40 JJCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3c(OC)ccc4ccc(OC)cc34)C2=O)nc1C 8815827 IUZUXIVDTALHIR-SFQUDFHCSA-N 465.531 4.605 10 40 JJCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2C)cc1 8990090 NDRUIKPYRWQVSH-OEAKJJBVSA-N 457.486 4.835 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 9030124 VFIFWEXUCKUZFE-LFIBNONCSA-N 492.376 4.587 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 17951774 JUWWZSYCQTWNQT-OQKWZONESA-N 480.549 4.869 10 40 JJCB CN(C)c1ccc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1Br 41083591 DRNHHXBDZBQUBL-LTQDZZRLSA-N 471.355 4.958 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(Cc2cccc(F)c2)c1 408876505 PLZBNPIZRQQULT-HZHRSRAPSA-N 458.489 4.708 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 409107165 VMDZHYXORNRXGH-KWWJGWKXSA-N 458.967 4.666 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC(C)C 409143874 NZZOWXKCUYWBKH-CXUHLZMHSA-N 458.967 4.584 10 40 JJCB O=C([C@@H]1CCCN(Cc2cc(Br)ccc2O)C1)N1CCC(Cc2ccccc2)CC1 1458386 ZRGNWLOYBVFDOS-OAQYLSRUSA-N 471.439 4.848 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCCOc1ccccc1 2909365 HXRFUGUANPTARN-CJLVFECKSA-N 472.497 4.968 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c(OC)c1 59594784 QQGBYPNMQFDBHJ-FYJGNVAPSA-N 489.597 4.559 10 40 JJCB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1 101060884 ALABFLUHXVUNGN-DSITVLBTSA-N 458.514 4.622 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223559741 FSBQEQHOMVEDRY-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)cc2)CC1 225716811 CJEQUDZISLCXSL-GOSISDBHSA-N 473.664 4.920 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)NC1=S 409173697 QJYRGPPCKGWFDJ-XSFVSMFZSA-N 459.571 4.551 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)cc1Cl 409244212 ZQBURXVTAIWRQB-DJKKODMXSA-N 493.972 4.616 10 40 JJCB Cc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1 3770335 PQYIUBMQLAIFEL-FHMSYZJOSA-N 477.633 4.693 10 40 JJCB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 13141947 PDMGJDXEIHATMG-UHFFFAOYSA-N 496.629 4.781 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 13551142 WVBLJRAWJGSCSO-FBCYGCLPSA-N 458.301 4.656 10 40 JJCB CCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)CC)C2=O)c2cc(Br)ccc21 16733296 WEHFQIGMDVWKPF-YOJQOHNYSA-N 453.427 4.966 10 40 JJCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 20289024 GPGABJQCVROSEF-ULJHMMPZSA-N 471.513 4.627 10 40 JJCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c1 33891633 PFLKGJPNYJEFMY-HAVVHWLPSA-N 474.586 4.631 10 40 JJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 59139174 UVPQIDIHVDKPLE-UHFFFAOYSA-N 479.385 4.570 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408777771 IHYUYQLLXNANDR-GIJQJNRQSA-N 499.310 4.976 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 409235469 QFSAHDGCRDTDIH-CPNJWEJPSA-N 469.488 4.944 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1O 409341834 AFPLZEKVXZNKQV-FRKPEAEDSA-N 481.349 4.867 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 409361366 SBFQOIXLCLBDEL-LPYMAVHISA-N 489.553 4.776 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@@H]23)cc1 18128158 HBOZCCLXYMBKFN-XPWALMASSA-N 485.923 4.652 10 40 JJCB CCCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCC)C2=O)cc1OC 27563024 CZQHYSXERPTEHB-RGEXLXHISA-N 451.610 4.809 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCSc1ccc(C)cc1 32109520 HJEMEBYLGQZGIG-CJLVFECKSA-N 460.555 4.636 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 41078349 IOPUMMYNQOFVSA-IMLOQERYSA-N 486.297 4.626 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1Cl 41082477 JVMZZZLMMAAGMW-IRUKKEKQSA-N 467.909 4.647 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(F)c1 223225317 VREOFFMBFIEJJX-RPWUZVMVSA-N 451.615 4.552 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C2=O)c1 223536300 DQCOEVOOQLVFCY-NIZGNDASSA-N 461.562 4.864 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 260567661 MGMKTGDKQMOLDJ-FEMWLQECSA-N 477.630 4.947 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 408901327 XFHYNRBATQIDDM-LPYMAVHISA-N 499.910 4.708 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)N(c2ccccc2)C1=S 409021914 FQKJHLIUTYZSLB-KQWNVCNZSA-N 488.569 4.956 10 40 JJCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409126066 GTAPVQTWKCQOCK-UCQKPKSFSA-N 482.521 4.998 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 409152720 GEUWBQBKJFSJIM-MTJSOVHGSA-N 492.509 4.637 10 40 JJCB COc1cc([C@H](Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)N(C)C)cc(OC)c1OC 604404624 GDNOUSZMKVNEBL-QFIPXVFZSA-N 484.552 4.542 10 40 JJCB biogenic O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccccc1O 2454591 GMDAJHVUBRBGIR-ATVHPVEESA-N 477.405 4.775 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3Cl)c2C)cc1F 11315262 PZWZBVMEPZWZAU-UHFFFAOYSA-N 477.941 4.638 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1 13893820 CUBZUHVRFFZSIJ-CJLVFECKSA-N 462.527 4.659 10 40 JJCB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 14014900 DLFQVOGSRRXIMK-UHFFFAOYSA-N 458.470 4.987 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC 408800494 MZSNJOAVUOKEPY-OVCLIPMQSA-N 463.317 4.766 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1Cc1ccccc1F 408871843 YBPPOQWDGZDKPK-XSFVSMFZSA-N 479.305 4.845 10 40 JJCB Cc1cc(C(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Cl)c1 8666511 HEGPZJQRZBLTIE-UHFFFAOYSA-N 455.917 4.545 10 40 JJCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCc3ccccc3C2)cc1 16914867 XNYMUNKYPYBGKB-LJAQVGFWSA-N 489.685 4.709 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1 41076701 XEBQBOBCOYHUJH-HTWVIFJXSA-N 455.543 4.852 10 40 JJCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 107740923 LSOSWISRPPIUOI-BKUYFWCQSA-N 493.357 4.807 10 40 JJCB Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)c(C)n1-c1ccc(F)cc1 3477910 DYMVJLPYWQDCJB-HSZRJFAPSA-N 478.549 4.849 10 40 JJCB CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 6142940 LKHDLKHHHHINOD-FQEVSTJZSA-N 495.475 4.513 10 40 JJCB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c(C)n1-c1ccc2c(c1)OCCO2 9596073 GVVWHRHJGYUVSG-UHFFFAOYSA-N 480.615 4.621 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 13801855 LAECDPDUSBMBOV-RGEXLXHISA-N 450.541 4.661 10 40 JJCB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2c(O)ccc3ccccc23)n2c1nc1ccccc12 20675456 JAHDVNKASWTDBU-DNQXCXABSA-N 457.530 4.811 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 33871292 ZXCYROTWZVTDLM-PDGQHHTCSA-N 477.007 4.977 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222944340 MOUPTDZNOPADBH-UHFFFAOYSA-N 465.619 4.596 10 40 JJCB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 13786477 MSZBZTNHJAIZSV-ZHZULCJRSA-N 493.610 4.948 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26531982 JLFXVGSQELOSEU-KDWLXDBESA-N 484.691 4.877 10 40 JJCB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101374496 KGRFEAXBEMMEHP-IIYWATAZSA-N 461.522 4.594 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223657776 QEGSOCTZTOWTKD-RSXGOPAZSA-N 476.646 4.950 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c1 409245537 VJMCBXREHZDRHC-YDZHTSKRSA-N 457.530 4.590 10 40 JJCB COc1ccc(N2CCN([C@H](CNC(=O)C3(c4cccs4)CCCC3)c3ccco3)CC2)cc1 38598214 DMZCUBPYHSCHEY-HSZRJFAPSA-N 479.646 4.841 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1C 224518233 IYOLFYGSCMOHAU-QFIPXVFZSA-N 471.667 4.717 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408886220 FKTMZVKBUIJCKB-HMAPJEAMSA-N 472.566 4.722 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)nc1 409251730 VWGKTSFCKVELHC-VXLYETTFSA-N 484.503 4.648 10 40 JJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 409354661 AWFXWEKMPFLHCD-WQRHYEAKSA-N 488.407 4.807 10 40 JJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Oc3ccccc3F)nc12 2408831 IPXQMPCOMUFGMP-UNOMPAQXSA-N 493.541 4.929 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 8820116 OXVGUQRGQBSYEI-XLNRJJMWSA-N 496.654 4.893 10 40 JJCB Cc1cc(I)cc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O 15947072 HRZXBZHYOCVJIT-QGZVFWFLSA-N 483.375 4.562 10 40 JJCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)n1 18252458 NEKGPXIAACPVOJ-FUEWEDNTSA-N 488.537 4.976 10 40 JJCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102740216 SWQASVHFACEOHY-TUNNFDKTSA-N 485.323 4.759 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1O 223302209 BDHKHDBHDNWPQQ-GKVQRAMASA-N 483.037 5.000 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223559560 FSBQEQHOMVEDRY-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3cccc(F)c3)C2=O)cc1 408876125 NFNLOKVVJGLKLZ-LFVJCYFKSA-N 458.489 4.654 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 409097968 HWQPQYVWLQTSOB-LFIBNONCSA-N 497.916 4.657 10 40 JJCB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)N(C)C(CO)=C2O)[C@@H]1/C=C/C=C/C[C@H](C)O 514288287 AWQOATNHYGPPIM-FONUOFICSA-N 457.611 4.551 10 40 JJCB biogenic,in-vitro COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)N=C2O)cc1 2263732 OSVIVGFCTRWVII-PXLXIMEGSA-N 487.943 4.782 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 9459367 WZNXEQJNSXBHPN-RCCKNPSSSA-N 471.944 4.878 10 40 JJCB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 223046903 JCIFBXOTMWLCOC-UHFFFAOYSA-N 458.444 4.824 10 40 JJCB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223310873 BRNZLJKBKRSJGH-TUSQITKMSA-N 462.619 4.649 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 408535412 NZOYXWCZBLHSHL-PXLXIMEGSA-N 484.508 4.588 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1 408577832 UPIPSQLOWKPOSK-MOSHPQCFSA-N 456.589 4.712 10 40 JJCB Cc1ccccc1NC(=O)C(=Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C 3262972 KICSKWKKNNUGMB-UHFFFAOYSA-N 455.558 4.801 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c(OC)c1 9293701 NASUNCURWSHRDI-ALLGYFEPSA-N 499.596 4.973 10 40 JJCB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1CCCN1CCOCC1 12414301 VSXKUDCWUPEXBF-RGEXLXHISA-N 482.549 4.889 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)N1CCCCCC1 59087169 GDMFMNSQHAREIC-XQNSMLJCSA-N 484.556 4.546 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCCC)C2=O)cc1 408897230 ILDRLUKSXRRPJA-RGEXLXHISA-N 487.350 4.693 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 409065498 IXBCWCKUCSWQSV-SRZZPIQSSA-N 463.921 4.940 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 409237274 HQWJYKAQQUXZSN-GZTJUZNOSA-N 497.916 4.657 10 40 JJCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1C 2285602 UAUKIHKCGHPTQN-NDENLUEZSA-N 454.573 4.652 10 40 JJCB COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4CC4(C(=O)CC(C)(C)CC4=O)[C@H]3C2)cc1 8773747 USJZCCKPRHXKLZ-JOCHJYFZSA-N 486.534 4.910 10 40 JJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 9159653 BEVPCXZOTKUBAO-OIFMRIKRSA-N 454.559 4.773 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 28228444 OPLYKWPVXVGFKO-NRFANRHFSA-N 472.582 4.556 10 40 JJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 32701802 GPMMOGJZHSUYDI-QKIOLIMFSA-N 459.390 4.942 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 34990806 ZLCJIJFPJJRJRK-SFQUDFHCSA-N 477.589 4.762 10 40 JJCB Cc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccco2)no1 44086232 PQZOHLPGFYXMOS-UHFFFAOYSA-N 473.352 4.981 10 40 JJCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3cc4ccccc4c(C(=O)O)c3O)cc2)n1 104123573 JZLPUVLJTQAKEQ-QPLCGJKRSA-N 463.475 4.558 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 408575863 ORNWEGBYILDOCU-GRSHGNNSSA-N 477.007 4.976 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408820736 ZLYLBOSBYAMAEK-HYARGMPZSA-N 455.514 4.660 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1 409246530 CKSJXFIEPHBSFK-HAHDFKILSA-N 469.541 4.968 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2408898 USTDIIXFVQLJRU-LUJRCDHRSA-N 451.573 4.795 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(O)c3)C2=O)cc1 8820068 JSIZXPHMGQPLPF-ZHZULCJRSA-N 484.599 4.579 10 40 JJCB COc1ccccc1OCCCn1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)c2ccccc21 9011720 VCINFJJKSXGZLV-CJLVFECKSA-N 499.523 4.578 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 225045287 YGCQDPMZFYTZQE-UHFFFAOYSA-N 465.619 4.880 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1C 408578625 ZIVZBGGKQRXKQA-NDENLUEZSA-N 456.589 4.631 10 40 JJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 408857618 VJZQXBZLTOOING-OVCLIPMQSA-N 477.742 4.784 10 40 JJCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409193320 IVVBNSXWUHMCCT-HBBMIWKISA-N 474.538 4.547 10 40 JJCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S 409212303 ORIGVTGQPWJHTP-WQRHYEAKSA-N 452.517 4.738 10 40 JJCB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)N(C)C(CO)=C2O)[C@@H]1/C=C/C=C/C[C@@H](C)O 514288290 AWQOATNHYGPPIM-MQKVCBRISA-N 457.611 4.551 10 40 JJCB biogenic,in-vitro COc1ccc(OC)c(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)C(F)(F)F)c2C)c1 8782035 URXABDGBGATILI-UHFFFAOYSA-N 467.465 4.618 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 10112169 VNJLDXPSDRDADA-UHFFFAOYSA-N 469.994 4.671 10 40 JJCB COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)oc12 16737110 QBVGJLLXYAPECW-JCMHNJIXSA-N 486.553 4.597 10 40 JJCB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 31305337 KRIAMCOHROSPPC-UHFFFAOYSA-N 463.494 4.747 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(C(=O)O)cc1 223463509 WKUSTFLBJAZCON-DQEYMECFSA-N 483.597 4.755 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408588927 XFVMCWSPCLMZFU-GDNBJRDFSA-N 478.328 4.896 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408876396 OHNMVVSDRYZTGA-ODLFYWEKSA-N 496.947 4.898 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O 409015829 BQYVFJSBQZKDNU-BWAHOGKJSA-N 479.536 4.715 10 40 JJCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 409022926 IERRCUYVPVEFLX-BOPFTXTBSA-N 471.307 4.680 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)NC1=S 409064919 JFNHAFBKNGCLIC-YBFXNURJSA-N 494.960 4.795 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 409335354 ZENPDEWBVWLZOJ-OQLLNIDSSA-N 451.323 4.772 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12 10214261 QGZFYLILAIXYQL-IBGZPJMESA-N 471.941 4.546 10 40 JJCB Cc1c(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c(=O)n(-c2ccccc2)n1C 16733663 JLSJHNYFGBQDTK-SFQUDFHCSA-N 486.416 4.653 10 40 JJCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 17197709 MJGMSPZBSGZFBC-XKZIYDEJSA-N 457.436 4.839 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 35419624 OSTMVWDBUSIEFN-UNOMPAQXSA-N 467.294 4.629 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274628 XOKSXTPFCNZVAP-RPWUZVMVSA-N 484.069 4.685 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(=O)O)c1 223499373 HMVVLUFXVVCWEW-DQEYMECFSA-N 483.597 4.755 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 408741585 QTLVEGCGETZLMR-ATVHPVEESA-N 481.848 4.573 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 408769086 NNCUVHFDSLMDJR-WOJGMQOQSA-N 465.849 4.791 10 40 JJCB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S 409016657 VGXNZUJWEUNWEE-FYJGNVAPSA-N 464.978 4.706 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N(CC)CC)c12 409132528 KHXNMYFORPZLCK-XKZIYDEJSA-N 492.670 4.869 10 40 JJCB CCCN1C(=O)/C(=C/c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 409345932 MDZMCGXVEIIGRM-YVLHZVERSA-N 475.504 4.915 10 40 JJCB O=c1cc(C(F)(F)F)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c2o1 1614472544 QEDRZBSAZITOEU-UTLNKFNPSA-N 474.523 4.912 10 40 JJCB biogenic CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)SC1=S 6147090 VHCGLIFYFNFHOD-MHWRWJLKSA-N 468.385 4.920 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc(OC)c1OC 8871671 ZWNGKRICFJDXQE-MOSHPQCFSA-N 486.615 4.559 10 40 JJCB CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S 9235933 PDPIZYOSFXHVHX-LZYBPNLTSA-N 497.823 4.951 10 40 JJCB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1OC 13071639 WBEFQMUHRUJFQT-HNNXBMFYSA-N 492.959 4.592 10 40 JJCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 20288268 BSMHGCXCIUYWRR-QJOMJCCJSA-N 470.485 4.909 10 40 JJCB N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084933 JUTVOMVWKVYUFW-CYUXLGBPSA-N 460.346 4.926 10 40 JJCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(C(=O)O)c(Cl)c5)c4C)c(=O)n3c2cc1C 408851702 MUMCDYBOQKHCIL-YVNNLAQVSA-N 477.973 4.833 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(O)cc1 409228984 IBSVWBNJHYSVHE-SRZZPIQSSA-N 465.506 4.614 10 40 JJCB COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409243942 ZISGVCCJZFWDKO-PDGQHHTCSA-N 496.370 4.772 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 409244184 ZBXBIVKXOBHMNX-FOWTUZBSSA-N 486.778 4.725 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)c1 409351429 UHVSJAYJVJBXPJ-ZDLGFXPLSA-N 469.471 4.888 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1 8407470 CQJBMPXHOXABAC-KTXRHGARSA-N 473.558 4.758 10 40 JJCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 8743264 ZSRZKVNZKVSEJG-UYRXBGFRSA-N 477.429 4.769 10 40 JJCB COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222484 FSUBBWCUFHNODK-INIZCTEOSA-N 498.434 4.873 10 40 JJCB biogenic O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(/N=N\c3c(O)ccc4ccccc34)ccc2c1 104366868 ODOJGWXYQYRBNB-DQRAZIAOSA-N 458.473 4.607 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 108034806 QXTBUVDOXVWRQM-PDGQHHTCSA-N 467.294 4.629 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)NCc4ccccc4)c3)SC2=S)cc1 408572455 HDHQBILOSNMCAE-HAHDFKILSA-N 490.606 4.796 10 40 JJCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc12 408871508 ZDMSFTVNVGZOSC-UHFFFAOYSA-N 480.973 4.694 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1O 1181204 ZTZPFFJEDZTINA-CXUHLZMHSA-N 453.372 4.929 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3I)c2C)cc1 3288212 HWTJLCBQDWFTBH-UHFFFAOYSA-N 489.309 4.747 10 40 JJCB Cc1nc(C)c2c(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)sc2n1 12889651 MAWTVADHUGUDBU-AWEZNQCLSA-N 499.548 4.576 10 40 JJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccccc1C 13941868 ZCLHILBDOCNFIU-SXGWCWSVSA-N 450.379 4.834 10 40 JJCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1CN1CCOCC1 20163979 JBCFVZKBYIEJTN-LICLKQGHSA-N 455.388 4.744 10 40 JJCB N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccc4c(c3)OCO4)=NN12 36082026 XVZYBKKZHAVMJT-VSNPKZGJSA-N 482.521 4.662 10 40 JJCB CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1cccc(OCC)c1O)N2 65298325 GLLQJVKZGWJVFN-QFIPXVFZSA-N 451.567 4.572 10 40 JJCB biogenic CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(=O)cc(O)n3C3CCCC3)c2C)cc1 102689815 GUQVZDYRAFQEEH-UHFFFAOYSA-N 467.591 4.845 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225951735 CHWRXDAYOGXDPK-UHFFFAOYSA-N 474.634 4.956 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)N(c2cccc(C)c2)N=C1C 408528479 GDRSKORZHCDXHD-JWGURIENSA-N 476.558 4.523 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1NC(=O)c1ccccc1 409208548 GRKSJODMBIVQOF-MTJSOVHGSA-N 483.355 4.889 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O 409243060 YHZNJRPNRGFWOG-LGMDPLHJSA-N 481.302 4.774 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2247077 QEARMMQTDWQESB-PDGQHHTCSA-N 458.653 4.852 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2N)c(C)n1-c1ccc(OC(F)F)cc1 3285621 BMGPQZOGNXKBJP-UHFFFAOYSA-N 487.507 4.782 10 40 JJCB COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(OCc4ccccc4)cc3)c2oc1=O 8914749 AXMCHYKFQPLQCZ-UHFFFAOYSA-N 459.498 4.714 10 40 JJCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 21232406 UXWVMIXEZLQXKH-INIZCTEOSA-N 491.512 4.527 10 40 JJCB COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)cc2)cc1 100099318 NCAUQWZFVSMEDR-HZHRSRAPSA-N 457.442 4.629 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408874547 BNHBORJDWOERDJ-NHDPSOOVSA-N 494.504 4.816 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 409238428 ZWWBREMLQNVCME-WJDWOHSUSA-N 467.890 4.648 10 40 JJCB COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@@H]1CCCN2CCCC[C@H]12 524731681 HFNPXFFLCDZSRF-MHECFPHRSA-N 489.056 4.744 10 40 JJCB biogenic O=C1N(CCc2ccccc2)c2ccc(Br)cc2[C@]12NN=C(c1ccccc1)S2 2052481 XNQKFLVXBADQOZ-HSZRJFAPSA-N 464.388 4.889 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 8872510 ZHFZTLZEQXOILK-NDENLUEZSA-N 451.519 4.597 10 40 JJCB N=C1/C(=C/c2ccc(O)c(Br)c2)C(=O)N=C2SN=C(SCc3ccccc3)N12 9453276 PTOACUDBFYCCJW-XUTOWMMVSA-N 473.377 4.665 10 40 JJCB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4ccc(N(C)C)cc4)c(=O)c23)cc1 12610365 HXFDSSZQZQAJJP-UHFFFAOYSA-N 460.603 4.548 10 40 JJCB CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1 13040269 ZQRKIRBYMXQROP-INIZCTEOSA-N 476.960 4.973 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1cccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 41076353 ASKDIWVBQOXZAU-FZAWDKCWSA-N 462.535 4.893 10 40 JJCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 59104669 UBOSPTVBXRSDKQ-LTGZKZEYSA-N 463.534 4.981 10 40 JJCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)c(C)c3C)C2=O)c(C)c1 408527462 FUOJUSIZFKTYFE-MHWRWJLKSA-N 456.340 4.570 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br 408818599 XLPQDEXVVVWTJF-GXDHUFHOSA-N 477.742 4.866 10 40 JJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1 409029519 ANGFFEDUDNBMBC-OQLLNIDSSA-N 494.420 4.906 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1C 409221652 UHUJWNCWQVYIRM-OEAKJJBVSA-N 457.530 4.590 10 40 JJCB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)cc1 1379935 YPTCEIGVVLIZEE-RUZDIDTESA-N 475.545 4.521 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1 2389217 CVEVCWSKDFKXAJ-KQWNVCNZSA-N 471.944 4.959 10 40 JJCB Cc1cc(C(=O)COC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)n1-c1ccc(F)cc1 3375817 HWTPGHCMVCMPBH-UHFFFAOYSA-N 489.499 4.633 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)c2C)cc1F 9792928 MLRIIBVAUBWVLX-VWLOTQADSA-N 465.550 4.569 10 40 JJCB CN(C)c1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Br)cc2)cc1 12414044 XCWGWVHRLSBFCH-QHCPKHFHSA-N 482.353 4.775 10 40 JJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 107923631 GXJPASOTRJQKCY-NDENLUEZSA-N 457.502 4.548 10 40 JJCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)OC)c(Br)c3)S2)cc1 208527092 TZHHDYJPMPYQJN-WQRHYEAKSA-N 475.364 4.646 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1 408605146 XAPXICMCOKNSMM-YBFXNURJSA-N 472.494 4.780 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)o1 408961262 LXGBQTVLOUHLJM-MHWRWJLKSA-N 485.279 4.926 10 40 JJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408995159 AFWDFQUWZABZEV-CIAFOILYSA-N 474.477 4.728 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 409399863 OCOJFIBPGKIQIT-PDGQHHTCSA-N 484.295 4.942 10 40 JJCB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(I)cc3)C2=O)c2ccccc21 2366910 RNAKYVYIHDRRGN-LDADJPATSA-N 499.308 4.527 10 40 JJCB CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)N(c4ccccc4F)C(=O)N=C3O)c3ccccc32)CC1 27549088 NNJAMJNDPYWQEI-XSFVSMFZSA-N 488.519 4.546 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408803211 MNAHNKVDNGJMAJ-UDWIEESQSA-N 483.307 4.944 10 40 JJCB Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc2n1Cc1ccccc1F 409103980 XSULOBKNWOQHBR-UDWIEESQSA-N 454.548 4.813 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1O 409343390 GUJTXARBCZQEEF-YBEGLDIGSA-N 466.378 4.968 10 40 JJCB CCN1C(=O)/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 9296445 LGCMVDLTQWHUBD-CXUHLZMHSA-N 461.477 4.525 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCc1ccccc1 12465587 NOBIAALYTQZAGR-DEDYPNTBSA-N 462.889 4.594 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(Br)c(Cl)c1O 59139134 SNRQADIFUCKBOG-RMKNXTFCSA-N 485.718 4.627 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223016321 HEXVURVPXSPMLL-XZOQPEGZSA-N 471.026 4.770 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1 408775013 ZQFNDLGOBVILGL-HZHRSRAPSA-N 485.540 4.554 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 408813470 NHNUPFWPPNVMHE-UDWIEESQSA-N 491.887 4.802 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2Cc2ccccc2F)C1=O 408866911 HIUWPOKHDSTMNO-JWGURIENSA-N 458.489 4.654 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@@H]1c1ccc(N(C)C)cc1 408993926 XOCVHBIKHUEFEB-XMMPIXPASA-N 480.634 4.579 10 40 JJCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 409193150 CSHZIUHQIMKTMK-CAOOACKPSA-N 466.378 4.881 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1Cl 409250309 NBDIZRUJMUKSFZ-WOJGMQOQSA-N 481.917 4.956 10 40 JJCB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)sc(C)c1C 2658591 KPVLFTLCMUPVFO-UHFFFAOYSA-N 454.548 4.745 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1 8441016 NVVBMNGZFRBVRR-HYARGMPZSA-N 451.592 4.840 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccccc12 54360700 YLMNXHHDSBZAQA-STZFKDTASA-N 467.591 4.647 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 100871119 MJQICELWPUGOSS-VXNXHJTFSA-N 461.949 4.766 10 40 JJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3ON2c2ccccc2)cc1 102722703 GOPYGJAUHOZQFQ-DNVJHFABSA-N 492.373 4.566 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C(=O)NC2=S)cc1 107876393 DCVQNGIJAZLNDZ-PXLXIMEGSA-N 460.530 4.798 10 40 JJCB CC[C@@H](C)Oc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 107891422 QELPZOPANDFQAZ-NQRZERFFSA-N 491.544 4.744 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 223519039 SFHYYYMCUSSXDA-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 408725203 IKLFFJLLYVSIHY-STZFKDTASA-N 476.916 4.984 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1ccccc1Cl 408866308 DXGKSCLWYDPEFY-VXLYETTFSA-N 497.334 4.965 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12 408879687 DPWZLCAOKSJQDR-UHFFFAOYSA-N 457.338 4.640 10 40 JJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 408935332 CUKBPEFJUZRWPM-LFVJCYFKSA-N 493.475 4.993 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C2=O)cc1 409018908 YGOFPMGOBRYPPH-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(I)c1 409248776 QLPSRHQOHPZXOI-CIAFOILYSA-N 497.336 4.792 10 40 JJCB CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(C)C1=S 631984 RSQQCAKJMUPLTQ-UHFFFAOYSA-N 458.370 4.595 10 40 JJCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 8984142 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CHCHDMVJOFPJEF-SSDVNMTOSA-N 472.541 4.535 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409239967 OXTQBXRPPGBTPG-FOWTUZBSSA-N 481.848 4.573 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)cc1 409352662 XSWKBNFCHIPTKE-HYARGMPZSA-N 494.569 4.960 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C1=O 409377492 ITQIKEMLXAEWLC-LFVJCYFKSA-N 497.551 4.550 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC 8438003 YIEFYSQOXAILGK-GZTJUZNOSA-N 476.314 4.895 10 40 JJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Cl)c1 8819606 WNAGKJHXSLUCDR-ZDLGFXPLSA-N 460.964 4.689 10 40 JJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10113617 JSZZTQRKBONDKX-SANMLTNESA-N 461.587 4.584 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14010538 LWBPRFKKSGLRQA-XYGWBWBKSA-N 456.542 4.976 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1C 100562404 ZVCOYIFHWPGJRS-VABKMULXSA-N 485.923 4.652 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 409026741 WRZSTJBPIOJWJB-MFOYZWKCSA-N 495.782 4.797 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 409124656 BCSPZKOYSJBFIT-HYARGMPZSA-N 459.571 4.551 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 1476387 OVMOYJYHLHLLTB-WQRHYEAKSA-N 463.964 4.604 10 40 JJCB Cc1cc(-c2csc(-c3ccccc3)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3315071 SCPGTKTUROTMTA-UHFFFAOYSA-N 479.627 4.906 10 40 JJCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 9309122 HEKIOWVJDJNMTG-GUOILJMFSA-N 465.579 4.921 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=O)N=C2S1 9553463 BMIOTQSLZLADBV-LMEPTBFJSA-N 478.574 4.799 10 40 JJCB CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)s1)C1CC1 9716246 UVROJCMCGJOYNZ-UHFFFAOYSA-N 458.584 4.965 10 40 JJCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 10232862 DFDSVGAMAPEFRU-UWCCDQBKSA-N 459.545 4.578 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 16734683 NKSINOVBGOHTIM-BRLDDBHUSA-N 478.643 4.923 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18179903 SRPBONRGTZUWMR-CYXNTTPDSA-N 455.558 4.892 10 40 JJCB COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccc(C)cc4)cnc4ccc(F)cc34)CC2)cc1 20382180 UGBVLLXSYLRUAI-UHFFFAOYSA-N 491.588 4.850 10 40 JJCB CCc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 41076718 PRIBWZCQIOWIHF-VHDUERLVSA-N 455.543 4.738 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 41078359 DEPXXDNZXXNCCB-RSCUXIGJSA-N 482.880 4.676 10 40 JJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1Cl 95927309 XIJUNEBEUKISNY-PXLXIMEGSA-N 495.004 4.894 10 40 JJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 100552422 LBCXUYFTGPFRGQ-WJDWOHSUSA-N 487.326 4.528 10 40 JJCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3ON2c2ccccc2)cc1 102722697 GOPYGJAUHOZQFQ-YTFSRNRJSA-N 492.373 4.566 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1 223504363 DCKYGJZSBWINEN-LOSJGSFVSA-N 454.603 4.760 10 40 JJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=S)Nc1ccc(C)cc1C 408533001 NRNOERVQNMJFNS-BOPFTXTBSA-N 457.397 4.967 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 408852342 JTGGOZPHDNBTNV-FSJBWODESA-N 470.525 4.519 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OC(C)C 408879061 AMGNEVKAFAIQMR-BOPFTXTBSA-N 456.926 4.755 10 40 JJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 409101951 CAZRUNWQUJTPIE-FMIVXFBMSA-N 455.750 4.877 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c(C)c1 409123633 HUDOTTYFQREZLW-CPNJWEJPSA-N 469.488 4.944 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)SC1=S 409345074 KCEQYDKWHLTJAY-ZDLGFXPLSA-N 475.504 4.915 10 40 JJCB COc1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OC)c1OC 20288171 CEYGVOHNNFIYJZ-KQWNVCNZSA-N 488.500 4.758 10 40 JJCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 27016949 PUKJVUQLNLLGSH-ZBAGDBNDSA-N 458.587 4.927 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225509449 OTMYMEBBDBJMSG-SVBPBHIXSA-N 496.640 4.804 10 40 JJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 408915479 VXUVJBRRLICAJY-CIAFOILYSA-N 457.436 4.634 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408976340 QRSMGJUJPKGDSI-PDGQHHTCSA-N 457.280 4.625 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c1 409235938 DIIIZKWTHDBSOS-XDHOZWIPSA-N 461.499 4.611 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 2233537 HIUWAGBQUVQRMO-BKUYFWCQSA-N 457.436 4.634 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 8819529 GEGQRTUWYCLOBY-ZHZULCJRSA-N 468.600 4.710 10 40 JJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1 32099636 XDXXGVWISHWWHD-XKZIYDEJSA-N 456.454 4.600 10 40 JJCB N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 41084233 NFBUFHDPBAABIF-XCAKCUFHSA-N 480.528 4.891 10 40 JJCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100525425 GPVSLWYFGBQFHL-BFQBXFRASA-N 451.424 4.502 10 40 JJCB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC 409200777 JISVTGRRWSEXPC-VCHYOVAHSA-N 463.964 4.696 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 2789005 VTKVTNMCYFDSLS-SFQUDFHCSA-N 464.861 4.527 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3O)=NN12 10214008 PKDVRSUNFDPDLJ-LJQANCHMSA-N 486.366 4.647 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)SC2=S)cc1 408573155 IOCOQNOFJRDNQH-JCMHNJIXSA-N 498.626 4.501 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)c(C)c1 408910006 IMZBNCCIAHSRCI-FYJGNVAPSA-N 487.581 4.549 10 40 JJCB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C(C(=O)OC)=C1C 409058295 MDCBDQXODFCTCG-BKUYFWCQSA-N 456.970 4.765 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409063968 FKIOSUQJJZENAX-DEDYPNTBSA-N 482.945 4.922 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)c3ccccc23)C1=O 409242586 RQBJNIFNTQXKNZ-HEHNFIMWSA-N 455.514 4.505 10 40 JJCB COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 9234482 BQOYJGOPYVYFIN-QKDODKLFSA-N 497.522 4.865 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 13571010 FCVJUTHABUALHL-WOJGMQOQSA-N 465.849 4.791 10 40 JJCB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 15634921 HWFQPESZPLIHIU-QBKUVYRMSA-N 484.512 4.905 10 40 JJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 20287537 USAPNIXYKUHSET-UNOMPAQXSA-N 485.363 4.711 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1 33927807 OBQCJLUGLIAALN-BKUYFWCQSA-N 461.449 4.527 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(=O)O 223348002 BJPXPDGJFGFWEO-BJKOFHAPSA-N 472.570 4.953 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)nc1 223544376 QWCUUEUMHYXYMQ-DQEYMECFSA-N 454.603 4.760 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 408804140 WIBRYEBZWKDPLI-UDWIEESQSA-N 491.887 4.802 10 40 JJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(F)cc1 409026540 RRKZSBPVKFJSIP-ZDLGFXPLSA-N 493.354 4.672 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S)c1ccccc1 409178263 KDAKSUFCWOHABA-KGENOOAVSA-N 464.543 4.951 10 40 JJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c(C)c1 409262754 JUHKQGQNSMGUOS-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB COc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 6546621 OXRUZNKSFJELAJ-RUZDIDTESA-N 461.562 4.801 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1F 14132752 XWCIPAQYZDRDGW-XSFVSMFZSA-N 474.488 4.778 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 59249114 DZSSRTSXMRLZGU-DEDYPNTBSA-N 480.387 4.688 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1 101481321 VUAKJIPZLVFSSE-SMIHKQSGSA-N 465.505 4.505 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223721022 DSGOZDWNGHQSQS-RPBOFIJWSA-N 462.619 4.723 10 40 JJCB Cc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O 260843148 OCAGHFHXKODVNL-JOCHJYFZSA-N 471.667 4.655 10 40 JJCB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)O)o2)c1 408635132 ZECHKRRDOUIOSB-FYJGNVAPSA-N 467.547 4.880 10 40 JJCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408819002 WEUXFIWFYLHMQO-GXDHUFHOSA-N 463.715 4.556 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408918173 HDSGOWJUZPCPHQ-NDENLUEZSA-N 496.947 4.898 10 40 JJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1C 409266030 JFBMBYWABBAUHN-MYYYXRDXSA-N 497.551 4.604 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1C 409376392 AMJBKGYREAMLEG-MTJSOVHGSA-N 488.009 4.805 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccccc2Cl)c2ccccc12 1088463 XQAYGQIAGUHECP-ZHZULCJRSA-N 489.915 4.629 10 40 JJCB CN(C)/N=N/c1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccccc2)C(=O)/C=C/c2ccccc2)cc1 3047961 PRBZBDMKTXSLLA-GRKLBKSJSA-N 488.569 4.718 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c1C 3323183 CNSPYOASXHUSCA-UHFFFAOYSA-N 466.843 4.969 10 40 JJCB CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)s1 8432982 XAIJBQMKDJUXJC-SDNWHVSQSA-N 467.041 4.764 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 9245551 VUSDVINVPZQNBQ-HYRBKGOMSA-N 450.524 4.586 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl 12635883 NXHSQRIFTFWKFQ-IDUWFGFVSA-N 484.382 4.867 10 40 JJCB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(O)c(Br)c2O)N3)C1 17086069 LTHSJUQMUMNPNL-XHLQUELWSA-N 488.201 4.663 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 41076358 SOHGKQGEWOVLTA-PCHQCWAOSA-N 462.535 4.893 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 408805141 IUZUSBYQLXDQGC-FYJGNVAPSA-N 491.887 4.802 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1 408875833 LRZUIDZYONTFMP-YBFXNURJSA-N 467.308 4.956 10 40 JJCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 409244104 XSEKRYOUKSOTMI-UDWIEESQSA-N 471.966 4.624 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccncc1 409340041 PHOAGAGGVDLCNH-SSDVNMTOSA-N 478.551 4.804 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1 2394200 XPMFAVZVBPMSOV-HAHDFKILSA-N 471.944 4.959 10 40 JJCB COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1 2425851 HCRUDIFAETXJLR-UHFFFAOYSA-N 463.408 4.692 10 40 JJCB biogenic CCc1cccc2c(/C=C3/C(=O)NC(=S)N(CC)C3=O)cn(CCOc3ccccc3Cl)c12 17146097 LAFNAZNUEOPMDS-RGEXLXHISA-N 482.005 4.583 10 40 JJCB Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1C 33457831 MGSLSFDEVQCICO-PEODKBGFSA-N 457.559 4.976 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(F)c1 35201202 QCQOIRGKYYRGQH-ODLFYWEKSA-N 497.320 4.637 10 40 JJCB C[C@H]1C[C@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225951643 CRFIHYVFHSGSLI-SFTDATJTSA-N 493.725 4.646 10 40 JJCB COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)(C)C)cc3C(C)(C)C)CC2)cc1 226070569 YMYRILHMRHAWCZ-VWLOTQADSA-N 498.708 4.869 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260912338 FTYAKFUFCSEZQA-BJKOFHAPSA-N 464.635 4.639 10 40 JJCB CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820046 NZGPCNUDFDVGGA-JCMHNJIXSA-N 482.627 4.836 10 40 JJCB CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3cccc(OC)c3)C(=O)N=C2S1 9310072 QKRAHAIVJDMNGZ-NLEVOZIKSA-N 464.547 4.572 10 40 JJCB Cc1cccc(OCC2=NN3C(=N)/C(=C\c4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)c1 12467053 SMEKUMGKFFWMBD-VYIPLNHISA-N 486.509 4.651 10 40 JJCB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12555686 LXONCNNIAQPLBU-UHFFFAOYSA-N 485.826 4.512 10 40 JJCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13370387 XJBGCHNSONJBGB-XQNSMLJCSA-N 474.542 4.643 10 40 JJCB COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16007232 JNIJLEPTRJTOKD-HJOGWXRNSA-N 469.924 4.946 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 18180871 YZBWQPDPHWSKLN-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273448 VEQNQVJEFFCUKW-BJKOFHAPSA-N 468.070 4.985 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(=O)O)c1 223538698 QVCUINMITFNXNV-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223544030 JDVOEQHOLWWGCS-RPWUZVMVSA-N 454.603 4.760 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4Cl)o3)C2=O)cc1 408982384 GRSBDBKBWDNGNZ-UYRXBGFRSA-N 478.888 4.615 10 40 JJCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)c1 409327590 LAUCLCFNXDRLOQ-WOJGMQOQSA-N 484.942 4.844 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCC(=O)OC 409350313 XYNMXEYPFDTNDF-GZTJUZNOSA-N 470.012 4.824 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3436781 FDRRSINQAHGZSS-RUZDIDTESA-N 499.539 4.723 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 9189387 URWIWKCLLKNIKF-MOSHPQCFSA-N 457.573 4.649 10 40 JJCB CCOc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1 36612644 DFATXTZXZVZSCV-LFVJCYFKSA-N 499.523 4.607 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C2=O)cc1 208308199 QAQBTUHHXRTIAG-HRKXOBMBSA-N 461.562 4.864 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222906466 ADOUYCCYFBQHSF-SVBPBHIXSA-N 489.689 4.954 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223468186 LMEIXKOBNJSCDD-RPWUZVMVSA-N 454.603 4.760 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223656916 UYXVQBVKTGBRRR-JWQCQUIFSA-N 462.619 4.642 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 408571984 DQZPWVVDABWOIH-ODLFYWEKSA-N 477.007 4.976 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cc2ccccc2F)c1 408877396 VOVUFKASFHYINY-KGENOOAVSA-N 464.880 4.745 10 40 JJCB Cc1cc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)ccc1Br 408903168 QFKNBNSQGCXTNY-MTJSOVHGSA-N 464.388 4.935 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1Cl 409042707 OIAVIXFSBZGWSX-NDENLUEZSA-N 490.899 4.592 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c1 409242917 PRXRWPNEHPOYEI-MHWRWJLKSA-N 473.392 4.684 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409244846 JLTHRYLDXSIMQX-GXDHUFHOSA-N 488.308 4.993 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)cc1 10113540 LZKUVXFRPAKCIN-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc2c(c1)OCO2 15013110 IIQRZODHIOHSAO-SXGWCWSVSA-N 498.322 4.796 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 26681031 SELLZQMLHZYOKK-LMEPTBFJSA-N 478.574 4.799 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 41108206 SIHJDPTUPGRJAQ-SPMFCUJQSA-N 459.506 4.683 10 40 JJCB CC1CCN(C(=O)C2=CN(c3cc(F)cc(F)c3)c3cc(Cl)ccc3S2(=O)=O)CC1 49003988 QCOOIMYBYSBOBK-UHFFFAOYSA-N 452.910 4.644 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 59135948 VNJMRDKKPWMJNM-LDADJPATSA-N 463.490 4.603 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 408867391 IMDUWUZHSDHWCC-MTJSOVHGSA-N 493.516 4.606 10 40 JJCB COc1ccc(-c2oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)O)cc1OC 1547138972 IQJURVWODNXWFI-UHFFFAOYSA-N 488.448 4.929 10 40 JJCB biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 6239306 PKZXSWKVDWVIBW-UHFFFAOYSA-N 464.503 4.839 10 40 JJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C)Cc1nc2ccccc2s1 8724395 LQWUSJCRVOVWRV-UHFFFAOYSA-N 480.615 4.702 10 40 JJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8820503 IOOIZHSABVGJDH-DURWOYGOSA-N 453.545 4.771 10 40 JJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(C(=O)O)c2)C1=O)=C\c1ccccc1 8820565 ZBPDCPTVCYMQEA-SDEVTQOVSA-N 466.584 4.951 10 40 JJCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)ccc1O 9216773 FRBALMWQEZQDLO-DEOSSOPVSA-N 455.558 4.937 10 40 JJCB O=S1(=O)CC[C@H](N(Cc2cccs2)Cc2c(O)ccc3cc(Br)ccc23)C1 12869231 ANVNWXBPHBPWIS-INIZCTEOSA-N 466.422 4.559 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 23854927 HOURYZVSDBZQMJ-NDEPHWFRSA-N 456.590 4.687 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223544131 JDVOEQHOLWWGCS-ZEQRLZLVSA-N 454.603 4.760 10 40 JJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408586123 LHLNZZHLIDPDDH-IUXPMGMMSA-N 478.328 4.896 10 40 JJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)NC1=S 409174721 UJRHWCBERADPLL-XSFVSMFZSA-N 459.571 4.551 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 2158876 HNBWFUNMYNCGCR-LDADJPATSA-N 486.778 4.725 10 40 JJCB CCC(=O)N1c2c(C)cc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 6461864 MKBBQBVRQMRAPB-UHFFFAOYSA-N 491.656 4.915 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl 14132829 GZYKPBLSPRRUCE-CPNJWEJPSA-N 476.916 4.902 10 40 JJCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 15162008 ZQMRKDKGGFLAHB-ZFMNYDKASA-N 456.498 4.788 10 40 JJCB Cc1ccc(Sc2oc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 34859953 GCOIXZYYOCWBCU-BOPFTXTBSA-N 455.333 4.963 10 40 JJCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1I 59136069 CTXZKEKCKSFOIX-FMIVXFBMSA-N 496.301 4.501 10 40 JJCB O=c1[nH]cccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 85876938 YKGUWSRBTBTVCD-UHFFFAOYSA-N 460.490 4.676 10 40 JJCB biogenic CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1cccc2ccccc12 104124131 BXHMMJAQLFVDHE-NFOKUVPFSA-N 487.541 4.716 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835744 XECRWAUAXUYUIO-XZOQPEGZSA-N 465.579 4.787 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 223480987 SNQQKGFKMRIDJH-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 224491162 KHROAXJSWHUSEA-BWAHOGKJSA-N 475.614 4.834 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408909330 GKNQHQBUYAQKMV-KEBDBYFISA-N 451.885 4.861 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408965025 FSERTQFRVKDQRA-MHWRWJLKSA-N 485.880 4.787 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 408981843 CGVMCBSGHZQGEW-PDGQHHTCSA-N 465.849 4.737 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408990301 KJHJGCDZWAXHCD-MSXFZWOLSA-N 457.574 4.654 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409072068 AQCQQMSHSZFLOO-XSFVSMFZSA-N 452.919 4.914 10 40 JJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)sc(C)c1C 409201829 QHGSARBLTRFQNS-UDWIEESQSA-N 491.569 4.534 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1 409232631 RWCXOUZGBCDEBE-UNOMPAQXSA-N 465.962 4.587 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 409341842 CJQNWSTWOYSTOU-ZSOIEALJSA-N 498.767 4.557 10 40 JJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1C 2306475 YRCYSMSWGRRXIG-XQNSMLJCSA-N 474.586 4.549 10 40 JJCB COc1ccc(CCNc2nc(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc23)cc1OC 2948784 INNPQGWKDJYXIX-UHFFFAOYSA-N 491.569 4.688 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OCC)cc3)SC2=S)cc1 8819111 VWBKKSXWUBCXBF-QNGOZBTKSA-N 498.626 4.882 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 13400193 FKJXDZIGYFYLRF-PDGQHHTCSA-N 493.006 4.596 10 40 JJCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCc3ccccc3C2)cc1 16914862 XNYMUNKYPYBGKB-GDLZYMKVSA-N 489.685 4.709 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 34366980 VJHWKISBNUOVFS-QVKWDTFWSA-N 470.558 4.555 10 40 JJCB N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C(=O)N=C2SC(C(F)(F)F)=NN12 41074385 FGMBFKWDBVOHHA-OFJNXEFMSA-N 487.492 4.517 10 40 JJCB O=C1N=C(O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 59198185 LVZBLBFQDFGVCI-KPKJPENVSA-N 450.632 4.517 10 40 JJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 100037595 ACWOJJRAKHYJQD-PXLXIMEGSA-N 466.950 4.859 10 40 JJCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 112298767 HQPYUIAOBWDHOD-ODLFYWEKSA-N 463.277 4.553 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C 408962506 YQPJMTGTPRYXFC-UCQKPKSFSA-N 458.518 4.966 10 40 JJCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409132731 KQDUYNIZXGXMRH-STZFKDTASA-N 459.483 4.574 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC(C)C 409234207 IZUULSJQWMRRFZ-MDWZMJQESA-N 465.358 4.621 10 40 JJCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 703038 GWVUDTDWAUOCIR-JCMHNJIXSA-N 456.527 4.588 10 40 JJCB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCc3ccco3)cc2c1 884349 BMRRMKGZLNAAFH-UHFFFAOYSA-N 477.586 4.605 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 8818994 NGRCXIWBISUIHZ-VHWUNXFSSA-N 460.533 4.864 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)N=C2S)cc1 9046664 DUISTVSWODOTSU-BKUYFWCQSA-N 460.515 4.553 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 12363050 NFAJDJVUJDMEHJ-JCMHNJIXSA-N 488.565 4.504 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(C(=O)O)cc1 223499460 MWLOXQQGBMJEPE-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 408574790 MSUUXXDDNKZYAB-MTJSOVHGSA-N 470.616 4.939 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1 408692346 KKVDMMBJPXVFCM-XDHOZWIPSA-N 468.937 4.722 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC 8819447 MECZZNRREOMRBO-STZFKDTASA-N 470.616 4.941 10 40 JJCB COc1ccc(-c2ccc(/C=C3\C(=O)N([C@H](C)c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238481 SKDGLMOSAZWVKE-VCRXTVNUSA-N 461.430 4.927 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 26642613 QEVYTESIZOUBRX-JCMHNJIXSA-N 462.527 4.577 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 33743044 FVNMTLPVWMQJFO-HGXBTZLZSA-N 461.469 4.674 10 40 JJCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3F)c3ccc(Br)cc23)C1=O 59087289 BDYUTERUJWKYPA-RQZCQDPDSA-N 470.298 4.913 10 40 JJCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)ccc1O 85877761 LSUHNGWPRWDAGY-UHFFFAOYSA-N 461.474 4.922 10 40 JJCB biogenic O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1 169683734 ZQMRKDKGGFLAHB-FMWKFLBASA-N 456.498 4.788 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 223559876 WBAJSUDRGHJSJL-FTJBHMTQSA-N 497.624 4.843 10 40 JJCB CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2OC)cc1 408571919 DHPFQEGRFFWVFI-BKUYFWCQSA-N 486.615 4.721 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2cccc(C)c2)c1 408804503 ANZCVGYLZRRZKZ-LPYMAVHISA-N 476.916 4.902 10 40 JJCB COc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1c1cccc(Br)c1 408846857 ZIENOQWHICKDNN-DEDYPNTBSA-N 477.314 4.990 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409235227 AUIQTPMWYBTQMS-LSFURLLWSA-N 493.516 4.637 10 40 JJCB CCCC(=O)N1c2ccc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 6471550 MJMGWSLMSGWRDI-UHFFFAOYSA-N 491.656 4.996 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c(OC)c1 8821865 XABBOWFQDSEUHU-UDWIEESQSA-N 451.460 4.954 10 40 JJCB CC[C@H](C)n1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccc2c1=O 20970078 PQIPVBQMALCFFA-INIZCTEOSA-N 497.576 4.874 10 40 JJCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C 27572575 CQASGBSZPSKSSW-RSPUHVBCSA-N 463.559 4.937 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C 41082621 KFKYTKGEZBABIB-ATVXKWJESA-N 461.518 4.610 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c(C)c1 247877163 OZTSBQDIAYECQV-ZRBLBEILSA-N 485.923 4.652 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 408807212 GMZLOOCTBRRQKR-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 408811483 RDOCRJMDXWCCRR-UDWIEESQSA-N 483.307 4.944 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S)c1cccs1 409330734 LSFYCEOWCCNQDO-CXUHLZMHSA-N 490.971 4.906 10 40 JJCB COc1ccc(O)c(CN2CCC[C@]3(C[C@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)c1 1615529260 NXGZBDUDUSDVOO-LSYYVWMOSA-N 499.051 4.864 10 40 JJCB C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 1299114 YFZWHSNTFWODBY-XMHGGMMESA-N 489.498 4.797 10 40 JJCB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 2424889 GPQKHFFINYUNFE-RGEXLXHISA-N 479.583 4.639 10 40 JJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3ccc(C)cc32)S1 8915910 JXKAKNTVLFDBSL-UHFFFAOYSA-N 491.656 4.852 10 40 JJCB CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O 9087556 YDBZXRIHCLXMNT-ZONZVBGPSA-N 494.522 4.807 10 40 JJCB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1OC 13071641 WBEFQMUHRUJFQT-OAHLLOKOSA-N 492.959 4.592 10 40 JJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408771026 DNICCHCSLIWFBI-OQLLNIDSSA-N 493.741 4.566 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 408813447 UILVXQSFDCGECF-LFVJCYFKSA-N 456.498 4.639 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1Cl 408986538 MTQAMOSWRMMMDW-MTJSOVHGSA-N 491.887 4.802 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S 409378196 NFLZPVZAZGAVMN-BOPFTXTBSA-N 462.980 4.587 10 40 JJCB Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 2210663 ADVQNDUWPRHLHW-OVVQPSECSA-N 466.585 4.672 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OCC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 41083410 GJFFRCIIDVOTNO-LQFYYXEQSA-N 453.480 4.673 10 40 JJCB O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 100732323 RHOKYTRDWDMALC-ACRUOGEOSA-N 498.362 4.817 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC(C)C 408801528 UOBZNXWUHPNADS-VIZOYTHASA-N 463.317 4.764 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)cc1 409016389 SCRIOJRDKRSEJT-LDADJPATSA-N 483.343 4.549 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(C)C 409343329 GRCWFOFCTGBJHF-BKUYFWCQSA-N 486.615 4.675 10 40 JJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 409367828 LYFRJDYMDWLCBJ-GIDUJCDVSA-N 468.343 4.660 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 1180288 FVIMJZSPTXQFIB-WQRHYEAKSA-N 496.532 4.953 10 40 JJCB Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccccc4CN4C(=O)CNC4=O)n3)c2C)cc1 8718469 OBYRGMZAGYEVTM-UHFFFAOYSA-N 499.596 4.830 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(OCCOc4ccc(C)cc4)c3)C2=O)cc1 8843099 QFEMCLMQEXGKBJ-JJIBRWJFSA-N 472.497 4.968 10 40 JJCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)N=C2S1 9245760 DJDYRCBUGQUZCE-UVYYMYQDSA-N 480.550 4.820 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208193706 DHBWRIUYSQOSBM-ZFMLPXDISA-N 463.603 4.639 10 40 JJCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)n1-c1ccccc1 225518242 KPOWPFUCBNZMMY-UIOOFZCWSA-N 467.598 4.792 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 408802740 GTOAIEAOYAWVKV-XQNSMLJCSA-N 486.524 4.729 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(F)c1 408890172 PBQOEDWFESXPBP-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 409024863 YISSRTGJYGCRGA-YBEGLDIGSA-N 462.727 4.988 10 40 JJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc(Br)cc1 409135085 PQWLQORCZUSATE-UNOMPAQXSA-N 477.355 4.661 10 40 JJCB CSc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)c1 409330154 JQBIJNQIGBQMDE-UNOMPAQXSA-N 473.601 4.559 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 9477792 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JOQVPVHOLVUSRR-FYJGNVAPSA-N 490.585 4.654 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc2c(c1)OCO2 223501726 UJMHOHFXQZBJAS-CLJLJLNGSA-N 483.597 4.786 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223657341 MGGBLPDDLJMPSM-LOSJGSFVSA-N 462.619 4.642 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1Cl 408800395 OWTHCWMHJQSQEN-CXUHLZMHSA-N 477.742 4.865 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C2=O)cc1Cl 408983674 NIOLJIWGWFKEDN-JMIUGGIZSA-N 491.931 4.729 10 40 JJCB O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)NCc1cccs1 2830476 BXWHEAPATYSUPS-LPYMAVHISA-N 498.564 4.522 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1ccccc1Cl 408880283 FXTMKHPTDBQMAB-DEDYPNTBSA-N 460.917 4.914 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 409020972 WIQSSRLOIYEVPH-BOPFTXTBSA-N 481.917 4.956 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 409191063 RYRXWGBRFDTKCZ-BUVRLJJBSA-N 495.560 4.777 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12 409197628 KRZPKAKMPPFVAM-MTJSOVHGSA-N 492.373 4.857 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2c1 409242628 XGUBBYDLGDRHMH-HYARGMPZSA-N 460.555 4.812 10 40 JJCB COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=S)NCc2ccco2)cc1 884294 NHVAJDWRSRNHFO-UHFFFAOYSA-N 461.587 4.823 10 40 JJCB Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(Br)cc1 1014163 IASULNYTNCKFOY-UHFFFAOYSA-N 468.380 4.807 10 40 JJCB CCN(CC)c1ccc([C@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 1420846 KMEAFEKBHCKUJG-MHZLTWQESA-N 491.657 4.995 10 40 JJCB Cc1cc(C)cc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c1 6768299 LKOBEPIFSQEQRH-XUHCONPKSA-N 488.491 4.943 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1OC 8819393 OLZWKLYMPYQJHN-BKUYFWCQSA-N 464.568 4.697 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 9254230 LURIGCRJFNKZAA-XMMPIXPASA-N 471.891 4.676 10 40 JJCB C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1)c1ccccc1 9281166 GVRBVSBMIHAPDG-QUANSWOBSA-N 453.527 4.889 10 40 JJCB CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C)cc4)c(C(F)(F)F)oc23)CC1 19792879 RIMSHDYWRYQJJW-UHFFFAOYSA-N 462.468 4.756 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O 20210245 CZTQIITVUHTTTP-YVLHZVERSA-N 480.864 4.863 10 40 JJCB COc1cc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1OCCC(C)C 27019223 WLZJMNVQQUBKHB-BWAHOGKJSA-N 479.646 4.908 10 40 JJCB Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc(-n4c(C)ccc4C)cc3)[nH]c(=O)c2c1C 40158057 KTEPAGKSDSQSFS-SFHVURJKSA-N 480.659 4.947 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c(C)c1 59135325 ZYQVHGYXNUDLHO-FYJGNVAPSA-N 475.476 4.835 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 107709775 IDAPKIQSYNOUHT-RQZCQDPDSA-N 458.301 4.656 10 40 JJCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223310827 BRNZLJKBKRSJGH-GVXSCFBNSA-N 462.619 4.649 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 408578319 XLCAVWDNKXECKA-BKUYFWCQSA-N 486.615 4.721 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408885234 YBMRNGPQXJVBDF-UCQKPKSFSA-N 492.576 4.974 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 16488262 CTBQIZYFTVBKHZ-LDADJPATSA-N 469.375 4.867 10 40 JJCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 20289179 PTZYTFYNWIMMCI-KQWNVCNZSA-N 458.474 4.749 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(OC)c4)nc4ccccc34)CC2)cc1 32097291 WHPFGBZDWQBTQD-UHFFFAOYSA-N 483.568 4.890 10 40 JJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ncc(Br)cc1Br 101112530 QIBAIFCRUICZRQ-MDWZMJQESA-N 470.552 4.979 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 408806186 BBOFWQLEEPLDDV-RGVLZGJSSA-N 480.879 4.733 10 40 JJCB CCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2204533 PGSFBDVNVJXDBB-VKAVYKQESA-N 453.614 4.847 10 40 JJCB O=C1NC(=S)S/C1=C\c1cn(CCOc2ccc(Br)cc2)c2ccccc12 2956279 YMLGETOSEXNIOX-WQRHYEAKSA-N 459.390 4.972 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 8871672 SEVYZBKEPIUCLW-MOSHPQCFSA-N 486.615 4.559 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 15930879 NEKZULUNNIXRGL-JLPGSUDCSA-N 469.541 4.587 10 40 JJCB COc1cccc(N2C(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C(=O)NC2=S)c1 16228041 JXXQQSOHHCOUDC-QNGOZBTKSA-N 453.523 4.675 10 40 JJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 20289196 PVGNVSNLEJSHIL-ULJHMMPZSA-N 471.513 4.627 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1F 33421018 JDMIZZIWTVDODS-UNOMPAQXSA-N 462.433 4.626 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1C 41084203 SGUYCVRXQSFEJU-BBYKJTEYSA-N 454.559 4.773 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)c2C)cc1 59105135 GLJDEJMYGJTARR-CIAFOILYSA-N 473.485 4.728 10 40 JJCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 100415091 YZBWQPDPHWSKLN-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(F)c1 223225422 VREOFFMBFIEJJX-ZEQRLZLVSA-N 451.615 4.552 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 223659915 MCYROZMGPBMHDZ-AOYPEHQESA-N 476.646 4.896 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(Cl)cc4)c3)CC2)cc1 224162221 JKDRADNDKFRCQR-UHFFFAOYSA-N 466.965 4.899 10 40 JJCB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)O)o1 408630555 BQUVSOCWQZUYCF-SXGWCWSVSA-N 481.315 4.608 10 40 JJCB CCn1nc(C)c(N/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C 408758237 XELWWZDXGJUQHQ-HAHDFKILSA-N 487.604 4.566 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)C1=O 408811492 NTGJKMVRSUWGJA-OVCLIPMQSA-N 477.742 4.865 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 408960872 PBWNNYVRNMMMLE-MOSHPQCFSA-N 455.967 4.924 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C2=O)cc1 408968252 UZHUNXQSVZOZGI-XQNSMLJCSA-N 457.530 4.722 10 40 JJCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1I 408972719 VLYHDYVTQWBWKS-LCYFTJDESA-N 472.204 4.648 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1Cl 408985672 XLSYDHQGQCWSRS-JMIUGGIZSA-N 451.885 4.861 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O 409239006 YHYAFRSROKQKIR-LFIBNONCSA-N 472.925 4.591 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 638628 QZJXYYKJLCJUPE-HMAPJEAMSA-N 459.498 4.740 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 680416 FDKAAOXZBGFPNU-HZHRSRAPSA-N 459.571 4.585 10 40 JJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(N(C)C(C)=O)cc3)C2=O)cc1OC 8955750 IXETXKIOYKITQQ-XQNSMLJCSA-N 455.514 4.521 10 40 JJCB COc1cc(-c2nnc(COC(=O)c3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC 9634221 SQJTZXONLFKBHX-UHFFFAOYSA-N 463.490 4.527 10 40 JJCB Cc1ccc(-n2c(C)cc(C(c3c(C)n[nH]c3O)c3c(C)n[nH]c3O)c2C)cc1Br 14134634 HNLPWUCFDKRDHE-UHFFFAOYSA-N 470.371 4.820 10 40 JJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 16671968 JWVYODMWRQRNTL-KOEQRZSOSA-N 474.586 4.500 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(OC)cc2OC)cc1 20288715 XGXAPKXEEWTNOH-JLPGSUDCSA-N 461.493 4.989 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 22665694 CRIPLHHMDHSEFT-MUUNZHRXSA-N 474.624 4.504 10 40 JJCB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 26786822 HPSNJTPJBNXZKI-UHFFFAOYSA-N 486.398 4.949 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1 33533406 JXYHUSRHFQAFJK-BPOWYZMYSA-N 473.533 4.909 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 40940272 SZXISVPIFHCIDZ-WQRHYEAKSA-N 462.980 4.682 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 58903858 PQTJSHRHBTWIOF-UQQQWYQISA-N 488.584 4.700 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1 59135954 ZQDVWCCPTJCLAM-DEDYPNTBSA-N 476.533 4.863 10 40 JJCB COc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1C(=O)O 59485056 SIUUFCHKHGHDFS-UHFFFAOYSA-N 470.481 4.594 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Br)cc1 223269050 LHIAJFHODHJZJH-GOTSBHOMSA-N 498.494 4.786 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 224270389 ROVPPDFUNRQWGB-UDWIEESQSA-N 496.947 4.898 10 40 JJCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl 408899718 QAXBNQPWSITTIY-GDNBJRDFSA-N 477.742 4.866 10 40 JJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409075576 SAGGHRUIOUSUEH-OPFCKLNOSA-N 481.343 4.594 10 40 JJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 9312064 RWXDQNFIWCBIHO-GUOILJMFSA-N 487.497 4.861 10 40 JJCB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 13097004 OUMCMDWLBGORER-GFCCVEGCSA-N 468.292 4.953 10 40 JJCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 13758741 PYXSJVMEKWLIHG-UYRXBGFRSA-N 482.631 4.624 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)cc1 16914504 MPEDCSYMJSFWDV-SANMLTNESA-N 463.025 4.699 10 40 JJCB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2cc(Br)ccc21 20059396 PHLNYRYTSXNSLW-UDWIEESQSA-N 466.379 4.789 10 40 JJCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1 33919511 JQPTXEJZVBREAN-QVKWDTFWSA-N 455.543 4.770 10 40 JJCB Cc1cc(C(=O)COC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 95946956 OXGOUDDHYXGRLL-UHFFFAOYSA-N 457.935 4.994 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NC1CC1 409129278 RMKOZOKCVYNEHF-BKUYFWCQSA-N 453.633 4.701 10 40 JJCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409210412 JRCIUYITQIIGSU-DTQASYIRSA-N 463.895 4.676 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)N1CCCC1 409358251 KVGRHSXPNYFDSN-RCCKNPSSSA-N 474.648 4.620 10 40 JJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 631983 TZSDPEPCFKOEOI-UHFFFAOYSA-N 480.973 4.680 10 40 JJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1C 2121396 JCEMCBFFWIYINW-UDWIEESQSA-N 457.486 4.892 10 40 JJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 15013243 NGZCTBUHTLEAPM-LPYMAVHISA-N 495.601 4.596 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 102721852 PWQXOIODGMEKMN-WXFUMESZSA-N 461.949 4.766 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@H](C(C)=O)[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 106535657 FONIOBIYPHOURF-KKUQBAQOSA-N 495.506 4.773 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)cc1 408756131 HTNYDLHQQPQBEX-HZHRSRAPSA-N 450.498 4.617 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Br 408762336 DRVQLEWNXPRHGE-WJDWOHSUSA-N 496.273 4.592 10 40 JJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408965524 IFSMBTUGVADNKC-MHWRWJLKSA-N 484.892 4.577 10 40 JJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 409251178 TVOOZRMKYPRLIR-BKUYFWCQSA-N 450.336 4.950 10 40 JJCB COc1ccc(-c2c3c(nc4nc(N5C[C@@H](C)C[C@@H](C)C5)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 13639907 IZHTWDJPXMEEKJ-IYBDPMFKSA-N 466.541 4.687 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 13776758 ZPDISLSLTRZSFZ-SFHLNBCPSA-N 487.493 4.640 10 40 JJCB CCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 16805609 OFAQNBZFPIRJIT-RGEXLXHISA-N 464.616 4.616 10 40 JJCB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)c1 17010474 BCPQOQGGYIKEHE-NDEPHWFRSA-N 474.624 4.802 10 40 JJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC2CC(C)(C)NC(C)(C)C2)cc1 19943953 WAPUKUVWGXEWST-MOHJPFBDSA-N 476.621 4.628 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(=O)O 223462947 RNGVQDPCDLHFHG-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 223687838 ZTCCCSJQXZGFNE-JWQCQUIFSA-N 462.619 4.587 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260803065 ZXALRZHAJSQUGX-ZWKOTPCHSA-N 473.664 4.920 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 408779257 SVDWZXQRWRCVKJ-FYJGNVAPSA-N 450.853 4.725 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1 409077317 DPHKYQXKDVARBB-LZYBPNLTSA-N 466.302 4.587 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 409143294 MQNJEZGDMXJIGF-FYJGNVAPSA-N 488.569 4.759 10 40 JJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N=C2S1 2180461 BIPKZVINARWZRP-NQDRLLCNSA-N 474.409 4.796 10 40 JJCB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 2410511 QYDINDMAIOZLPT-UYRXBGFRSA-N 475.551 4.790 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1 9187011 WQZHHOOSDCCHNM-KGENOOAVSA-N 491.550 4.720 10 40 JJCB CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9281237 UAAKSIBZAFNXAX-SDHOMARFSA-N 464.477 4.617 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 9331194 HUWDHUYRXRNTIJ-HAHDFKILSA-N 451.551 4.829 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 13343411 HDCGSMFWHXPGPY-WQRHYEAKSA-N 463.964 4.604 10 40 JJCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 16741258 SJTYUDHYZMEPJG-JFPYRBRCSA-N 470.664 4.712 10 40 JJCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 27016954 PUKJVUQLNLLGSH-FVIPPFNKSA-N 458.587 4.927 10 40 JJCB COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2OC)cc1 41083664 YRCQRGCFZYOMNS-ZQCYNNBZSA-N 479.558 4.719 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)cc1 208476171 SCLSCRWZKSSPSL-YBFXNURJSA-N 465.937 4.647 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 260912025 DXKOGGNHCRRVTJ-FGCOXFRFSA-N 450.583 4.780 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408692127 DXWDOCZFYKTKTP-LICLKQGHSA-N 489.355 4.985 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccc(F)cc2)c1 408804536 ASWUWBNBGZWEHZ-LPYMAVHISA-N 474.488 4.697 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 408939385 SAIBAICNHHTPPR-CPNJWEJPSA-N 450.853 4.725 10 40 JJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)c1C 12436485 OREWNDKABKVJMN-RJGXRXQPSA-N 485.923 4.652 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 13584662 GKWPATYWDZDEBY-JINVPOKMSA-N 478.574 4.799 10 40 JJCB CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C 44827051 HKNIJQZPPOELLE-GHRIWEEISA-N 469.563 4.907 10 40 JJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S 54360598 CWZJJRBDCJRELL-RXWSAZGZSA-N 453.516 4.983 10 40 JJCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)o1 108183480 LUWOFGYJZMVSPI-LPYMAVHISA-N 479.558 4.776 10 40 JJCB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 408537524 VXNYFDLYVUJGGX-LUYRYMQISA-N 499.350 4.863 10 40 JJCB COc1cc(N2N=C(C)/C(=C\Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)ccc1Cl 408756964 KUZTYYOYPYGLNE-XDHOZWIPSA-N 480.912 4.778 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1 408759036 WVDJUHDKJUESPO-LDADJPATSA-N 480.929 4.692 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1C 408759131 YFGQGFOQNGKHBB-WOJGMQOQSA-N 480.929 4.746 10 40 JJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC 408794293 IPOGHUKAYJTKBC-RMENWYJGSA-N 456.336 4.892 10 40 JJCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 409127885 RWBCZDGVRXIKHR-JCMHNJIXSA-N 485.675 4.576 10 40 JJCB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 12585011 FQWDMFUZGCGJFM-UHFFFAOYSA-N 458.945 4.510 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)ccc1OCc1ccc(C)cc1 16292466 LMCGFGOFJOZFDO-BKUYFWCQSA-N 487.468 4.998 10 40 JJCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 17028405 XAHSRQRHECBXHY-HZHRSRAPSA-N 485.496 4.739 10 40 JJCB COc1ccccc1NC(=O)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1O 20714209 BYSIUUIJUIZNHI-UHFFFAOYSA-N 461.543 4.766 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1OC 33392576 UPZQYNCSLDAIOW-OVCLIPMQSA-N 480.361 4.570 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 225005279 PYSKZMBYHMTXPD-UHFFFAOYSA-N 493.673 4.970 10 40 JJCB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(F)cc1 409007805 RTRHAKFSIMECNM-YVLHZVERSA-N 479.371 4.643 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1 409107969 UNDPERXXSBNIIV-QGOAFFKASA-N 494.956 4.916 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409231152 IHAFZTOTSWAYIE-FOWTUZBSSA-N 486.778 4.725 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O)Nc1cccc(F)c1 409238633 LIXAOOSMRULTOD-UDWIEESQSA-N 457.502 4.630 10 40 JJCB COc1ccc(-c2cc3ccc(O)c(CN(C)C[C@H]4CCCN5CCCC[C@@H]45)c3oc2=O)cc1 1565520582 XERJQGMUQHINDR-BWKNWUBXSA-N 462.590 4.871 10 40 JJCB biogenic Cc1cccc(OCCCOc2ccc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)cc2)c1 13549502 CRPBAJABKSRKBI-XQNSMLJCSA-N 460.486 4.938 10 40 JJCB CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 15953022 LVEYPWQNSYTBLO-GHVJWSGMSA-N 482.400 4.889 10 40 JJCB CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22418734 LSOXARZZVRELGC-HHHXNRCGSA-N 487.648 4.836 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1Cl 26688483 JLPKCZLALUAVQM-STZFKDTASA-N 480.977 4.504 10 40 JJCB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 32594739 ZKNWVUAQSYNCBN-ACOCPHQRSA-N 480.549 4.839 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3CC)C(=O)N=C2O)cc(Br)c1O 38179750 UNICJAOVCBHQLB-ZROIWOOFSA-N 459.296 4.623 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223658958 OJYRKTDUSDMAIN-DNQXCXABSA-N 483.037 4.987 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(OC)cc2)cc1 408760795 GDKDTQUXVGLIFU-LFVJCYFKSA-N 458.514 4.946 10 40 JJCB COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2cccc(Br)c2)cc1 408764564 JIFTWRSWNOLKOQ-FYJGNVAPSA-N 477.314 4.990 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1 408967785 UUQBYKDXWLWVLC-UCQKPKSFSA-N 461.493 4.503 10 40 JJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1I 409330535 BFNGLUVRXOSEEO-LVEAOLTQSA-N 477.348 4.889 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S)c1ccc(Cl)cc1 409341863 CDAAFWGNGAJOLV-RIYZIHGNSA-N 471.760 4.788 10 40 JJCB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 884181 RSFPOJIDCKPKAR-UHFFFAOYSA-N 461.587 4.823 10 40 JJCB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 9443538 XUHNBLPSPLPOQY-OAHLLOKOSA-N 486.480 4.679 10 40 JJCB COC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)=NC1=O 51330482 WMJBPIRHGNRHCD-KVENLKDRSA-N 457.555 4.969 10 40 JJCB CSc1ccc(C(=O)c2coc3ccc(O)c(CN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)c23)cc1 218059454 BVSYARSDXOZTMN-PKOBYXMFSA-N 486.593 4.872 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Br 223268506 LAZCNQOUNRBHJL-XZOQPEGZSA-N 498.494 4.786 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1Cl 223580517 SJDZQHHBXVYOFH-LEWJYISDSA-N 461.418 4.761 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)O)cc4)c3)C2=O)cc1Cl 409064643 DCEDYFUZHAOIDV-MTJSOVHGSA-N 490.899 4.592 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1 409378025 MQGVIEWKYXNZAC-DEDYPNTBSA-N 461.499 4.557 10 40 JJCB CCCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 1827492 FELPSSSNNHLGDJ-HKWRFOASSA-N 465.600 4.679 10 40 JJCB [N-]=[N+]=N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 5663430 UXZVJXHFRPKVBE-KYPHJKQUSA-N 495.539 4.512 10 40 JJCB Cc1cc(C)cc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 13670879 DESIBUZUHGXTMQ-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102710737 RYIRWLSHRZQQGU-KWXIBIRDSA-N 463.537 4.957 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 106763070 GDIGKZQFUXCOFH-ODLFYWEKSA-N 477.508 4.772 10 40 JJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222860932 IGUQKIPGBKENQW-CLJLJLNGSA-N 475.662 4.708 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223652800 GHJJOIVKHVFPCE-PKTZIBPZSA-N 469.010 4.678 10 40 JJCB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)O)o1 408631942 NLGXJZSRWNFQSU-YBEGLDIGSA-N 495.342 4.862 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408779513 FZXAJVNVAJBAJM-JLPGSUDCSA-N 492.547 4.531 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408794666 AOIWJZXKNFQFPW-MFKUBSTISA-N 493.475 4.993 10 40 JJCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 408856155 IRPGTGRFNGHLOV-LDADJPATSA-N 469.328 4.517 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccccc1O 408938424 QKNIBETZLMMBSJ-YBFXNURJSA-N 483.307 4.944 10 40 JJCB O=C(O)Cc1c(-c2ccc(Cl)cc2)oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c12 604404795 RZGVTYIJCIOWTB-UHFFFAOYSA-N 494.839 4.976 10 40 JJCB biogenic CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(c4ccc(OC)cc4)CC3)c2c1 9969531 KIBRQPCBMJMOPV-UHFFFAOYSA-N 487.625 4.965 10 40 JJCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc(I)c1OC 15930394 RUIBFXOTDSDCBD-LICLKQGHSA-N 476.314 4.813 10 40 JJCB Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1Br 49003948 LKVQQAVOBQJZKE-UHFFFAOYSA-N 479.371 4.676 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(F)(F)F 223615614 ZQDDQEQNMWBDCZ-VXKWHMMOSA-N 474.552 4.863 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Cl 408872356 LPFRVOVOGAZFGJ-MOSHPQCFSA-N 462.958 4.771 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(F)c1 408894890 KZCFQEWXGDKIRF-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409044284 VGEYZQQQYRPADV-UHFFFAOYSA-N 476.168 4.794 10 40 JJCB COc1ccc2cc(CN(Cc3ccc(Cl)cc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 920201 GCLNJESRADPQMN-UHFFFAOYSA-N 467.978 4.860 10 40 JJCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2700958 RYVXARJHKGPRLC-VXIUPONVSA-N 477.991 4.992 10 40 JJCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)C(=O)CCC5)ccc21 6142774 DAXURZCVCBGSIC-UHFFFAOYSA-N 471.490 4.528 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2CCOc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 9164910 YZRHIFHGSKNILN-NBVRZTHBSA-N 453.857 4.866 10 40 JJCB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 9461795 LRDWWFDWWWFJIH-UNOMPAQXSA-N 481.624 4.937 10 40 JJCB CC[C@H](C)Oc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 10130630 YIVSLWMHEDAOJH-ADVUTCEVSA-N 477.389 4.698 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 16694891 DBLDZGGKSJHESJ-ACSPXDACSA-N 451.525 4.982 10 40 JJCB CN(C)c1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cc1 22278358 GFTNYHNVHIYBGG-UHFFFAOYSA-N 452.201 4.643 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc2ccccc12 107738097 UUKLPANZMGGDMA-IWIPYMOSSA-N 480.520 4.897 10 40 JJCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 225306489 UBCIGMUESWULAB-PJVCEZMGSA-N 473.573 4.927 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(COc4cccc(C)c4)cc3)C2=O)cc1 408739539 CNKHPAWXADCENN-LFVJCYFKSA-N 456.498 4.639 10 40 JJCB O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409341306 BCLOZEAPCNXXDJ-CHHVJCJISA-N 484.780 4.972 10 40 JJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 1186795 SCQUBMCIQPMHEO-BOPFTXTBSA-N 471.307 4.680 10 40 JJCB COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 2447658 BQOYJGOPYVYFIN-OYUWMTPXSA-N 497.522 4.865 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(C)n1-c1ccc(Br)cc1 3287729 XOBCAIPAGSKTAW-UHFFFAOYSA-N 479.330 4.738 10 40 JJCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 9310742 AYGNCWMKZVKVOT-WOJGMQOQSA-N 495.504 4.856 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15989957 UAAKSIBZAFNXAX-ISJGIBHGSA-N 464.477 4.617 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC 41082522 GNBVAARVTHURDL-PWWWXZSSSA-N 497.935 4.655 10 40 JJCB O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96118125 HKYQMFKEVAUOCL-CQSZACIVSA-N 482.391 4.619 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc2ccccc12 205858662 BNTBQCUHLBQVPH-HZHRSRAPSA-N 459.571 4.906 10 40 JJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408532857 WJZXBLLDTGVHQC-NVMNQCDNSA-N 495.435 4.911 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1 408783799 MZKSZCTVWAINJQ-GHRIWEEISA-N 490.566 4.537 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1 408872849 JZQLCKPSOQSEGE-PDGQHHTCSA-N 452.844 4.875 10 40 JJCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c1 408981691 CKUKGQUWXXBXFL-UNOMPAQXSA-N 478.888 4.670 10 40 JJCB O=C(CSc1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408992644 SSQNSRDWHIPLQM-GRSHGNNSSA-N 481.580 4.968 10 40 JJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9111239 HKUBMCTXJHKQJC-ZNZIZOMTSA-N 467.496 4.857 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccccc23)cc1 20288688 SKSZXHBQDHXTLT-ITYLOYPMSA-N 495.539 4.942 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 41078511 FDYIMZQSOQDPFO-LEHBZZPOSA-N 467.909 4.565 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223055536 RHOLOGPICACVBB-RPWUZVMVSA-N 450.608 4.507 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)cc1 408756503 SLEBRGCGPKMHJP-XDHOZWIPSA-N 493.313 4.887 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 408868484 OZZIVBLSPGZBAE-UYRXBGFRSA-N 493.382 4.859 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408952305 NDHHHLQCZXNFPZ-ZROIWOOFSA-N 471.252 4.649 10 40 JJCB C[C@H]1S[C@H](c2ccc(N(C)C)cc2)N(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1=O 1084174 MPLWESDNAKRVML-BIBXISHDSA-N 488.824 4.786 10 40 JJCB COc1cc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC 2532806 KPDOBROINZDOAI-UHFFFAOYSA-N 486.524 4.913 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)c2C)cc1 2616848 FILDNOTZLYIIDV-UHFFFAOYSA-N 499.567 4.579 10 40 JJCB CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 8820519 NWZZMHKMTJVDGR-ZNXZVAGTSA-N 472.661 4.913 10 40 JJCB COc1ccc(N2CCN3c4cccc(Cl)c4CC4(C(=O)CC(C)(C)CC4=O)[C@H]3C2)cc1 9423847 CTXFSRUUUKGRHJ-JOCHJYFZSA-N 452.982 4.545 10 40 JJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 9884778 FNNWTXLCUPCRNR-JZQBQCRLSA-N 480.523 4.752 10 40 JJCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1C 10113108 XMNHTUZPYBFOKX-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 12349514 CDNAVVBCIHGGDT-QWFXQQHISA-N 499.936 4.865 10 40 JJCB O=C(O)c1cccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1 16448933 PPAGKPLUEOBSAB-QGOAFFKASA-N 476.485 4.775 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 208233473 MGMKTGDKQMOLDJ-NIZGNDASSA-N 477.630 4.947 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C2=O)cc1 223536240 QAQBTUHHXRTIAG-HINJULBWSA-N 461.562 4.864 10 40 JJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 408868472 QEWBLGIWAPODJL-OYKKKHCWSA-N 455.558 4.979 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)c1 408964180 BOVTVFLRYZTZTP-HZHRSRAPSA-N 485.540 4.554 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409063395 BCUXENPFOLJVMR-YFEUJDIGSA-N 477.380 4.763 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1I 409328151 PLCAEEBXWDDITA-MHWRWJLKSA-N 467.353 4.701 10 40 JJCB Cc1ccccc1CN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O 10113174 TXNXNJATENEBIA-UHFFFAOYSA-N 491.657 4.882 10 40 JJCB COCCN1C(=O)/C(=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S 26840779 LQMUVMZDDPMMRJ-XDJHFCHBSA-N 495.626 4.632 10 40 JJCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br 408723469 VOEILIKGJQBRBN-KPKJPENVSA-N 499.217 4.653 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 408739415 BQKYALSJPBBZEM-UYRXBGFRSA-N 481.302 4.774 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 408834273 VOJOPRJKGFPRKT-HZHRSRAPSA-N 476.916 4.984 10 40 JJCB COc1c(Br)cc(Cl)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409147835 NTKPZATYIBZFAC-ZSOIEALJSA-N 451.729 4.511 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)cc1 409341879 CQPDKENONHNANG-PXLXIMEGSA-N 476.579 4.820 10 40 JJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3ccccc32)S1 6133902 XEEKCSCMCXWVAF-UHFFFAOYSA-N 477.629 4.544 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1OC 8819925 KMTGRPDUMLORCF-QNGOZBTKSA-N 486.615 4.810 10 40 JJCB CCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 9360548 NPKUFIZNSVQWBT-XGSMPBFLSA-N 470.664 4.568 10 40 JJCB CCOc1cc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)ccc1OCC(=O)O 16916283 MATHJPOPODDGQW-CXUHLZMHSA-N 467.330 4.938 10 40 JJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18179988 JJIYRXZFRCGGNL-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 58865954 LFBQUBFDWNQRFH-UHFFFAOYSA-N 488.290 4.690 10 40 JJCB Cc1ccc(-n2nc(C)c(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)c2C)cc1C 408757340 MFMKDDUFCKFSCF-HZHRSRAPSA-N 479.540 4.838 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408870322 SPCUZLIIRIKLKV-BOPFTXTBSA-N 468.843 4.864 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C(=O)O)c4)c4ccccc34)C2=O)c1 408899603 PKZLBOMTMZHHJV-ZVHZXABRSA-N 493.519 4.671 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409018070 XFLQYKWLVFFWLG-WJDWOHSUSA-N 492.826 4.732 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409070054 ZLGTWOADSTYASY-GFQQVXNGSA-N 453.347 4.999 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1[N+](=O)[O-] 1176665 QASBDONAYVWLNP-BOPFTXTBSA-N 496.273 4.592 10 40 JJCB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9402819 WWHPBMLMUGTXQU-UHFFFAOYSA-N 489.698 4.613 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 10232903 MACGOLQKPIZNRF-WQRHYEAKSA-N 476.048 4.833 10 40 JJCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Oc2ccccc2)cc1 13646924 VTDWIEBNNQWHPU-UHFFFAOYSA-N 493.629 4.552 10 40 JJCB N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N=C2SC=CN12 20032373 KJNQPDBAFYGIOZ-WUVMMTAUSA-N 458.312 4.944 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)SC1=S 33827279 BBIXGYLCPRHVQX-YVLHZVERSA-N 450.944 4.718 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c(OC)c1 59594344 CDQWYPGLEUCVSK-FYJGNVAPSA-N 489.597 4.559 10 40 JJCB O=C1C[C@H](c2cccc3cccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114985 PXUGWAPUWKNQHT-QGZVFWFLSA-N 451.434 4.860 10 40 JJCB biogenic Nc1nc(-c2cc(Br)ccc2/N=N\N2CCOCC2)nc2ccc(Br)cc12 104184445 IGEDQRVTAUSFBU-IZHYLOQSSA-N 492.175 4.735 10 40 JJCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1O)[C@@H](c1ccccc1)[C@@]2(O)C(=O)O 106938063 UKSDVVVBOFVOSY-LSCGWGKXSA-N 473.504 4.638 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Cc2ccccc2Br)c1 408868994 OQVOEYGMXXULRV-RCCKNPSSSA-N 491.341 4.715 10 40 JJCB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 409335944 ZUOZDXLOPRLPMH-UKWGHVSLSA-N 457.617 4.839 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OC)c(OC)c3)SC2=S)cc1 409342341 DKIZTOQTUNZVCC-YBEGLDIGSA-N 466.378 4.881 10 40 JJCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S 1239099 CMVOBYALBXTOFG-FHNWIRHTSA-N 492.416 4.791 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S)cc1 9333815 JYXUXLVTWMVBFQ-HAHDFKILSA-N 467.550 4.941 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 16694907 VGFVLUHLLIEBFX-HKJBKDEOSA-N 476.532 4.564 10 40 JJCB COc1ccccc1NC(=O)CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N\c2ccc(Cl)cc2)C1=O 104292053 LGWYBQFNPXEUSO-CFZMGFRKSA-N 489.919 4.603 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 409021714 UQYLDGXXUDYQDF-JAIQZWGSSA-N 453.926 4.718 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409208993 DYFLUEWKSLGXFB-UFFVCSGVSA-N 484.890 4.557 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(I)cc3)SC2=S)cc1 9296605 IUIRGIFVTMVMAM-XNTDXEJSSA-N 453.326 4.706 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S 9323214 TWLUTQMZRBJCEV-VBKFSLOCSA-N 470.959 4.924 10 40 JJCB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC 408539498 WQOIMEUXXVXUPD-LTGZKZEYSA-N 466.534 4.719 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC 408800819 POQWPVLZZPTKEJ-GZTJUZNOSA-N 456.926 4.811 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 408807506 CWHKYUXVIQBCIX-KGENOOAVSA-N 462.889 4.594 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C)c1 408807796 LBNJLDAMFOXLQE-HYARGMPZSA-N 470.525 4.866 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 409069769 WKUHMAOVJRZCSE-OEAKJJBVSA-N 461.493 4.503 10 40 JJCB COCCN1C(=O)[C@@H](Cc2cc(Br)ccc2OCc2cccc(F)c2)SC1=S 409160263 FLBJNQNGGGBDIJ-GOSISDBHSA-N 484.412 4.585 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 409368319 XTONKKXGNUGNEA-FRKPEAEDSA-N 484.386 4.949 10 40 JJCB Cc1csc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)n1 1565524305 FOXMOWUZPOLDCU-DEOSSOPVSA-N 471.586 4.582 10 40 JJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 8821707 VCCIYXYOGDTBGO-NMWGTECJSA-N 479.671 4.579 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(N)=O 9188819 TZXPUFQEXXJCCJ-HMAPJEAMSA-N 492.578 4.757 10 40 JJCB CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1 13040270 ZQRKIRBYMXQROP-MRXNPFEDSA-N 476.960 4.973 10 40 JJCB COc1cc(Br)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1O 13547164 BSFLUPLABCQYMT-SXGWCWSVSA-N 465.394 4.635 10 40 JJCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCc3ccccc32)cc1 16914857 FDMNWYCNJDXRAN-NDEPHWFRSA-N 475.658 4.714 10 40 JJCB O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 30822642 YBVPVAHZFNYFRE-GZTJUZNOSA-N 471.347 4.902 10 40 JJCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c1 59135403 REMOSBJXMBYDSR-MHWRWJLKSA-N 454.797 4.944 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2c1 408787141 SGTFXDIBVPQKPD-RCCKNPSSSA-N 460.555 4.777 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c(C)c1 408984153 PVXOOKCMMGDLBM-UNOMPAQXSA-N 478.888 4.670 10 40 JJCB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O 409020915 VRHDWIAADZOAJF-HKWRFOASSA-N 450.878 4.625 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)cc1 4106481 OGXDWMPIRCPOCW-UHFFFAOYSA-N 457.452 4.864 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2)s1 8432976 VHYODHFSMTTYHD-XMHGGMMESA-N 465.625 4.964 10 40 JJCB COc1ccc(N2CCN(CCOc3ccc(-c4n[nH]cc4-c4ccccc4)c(O)c3)CC2)cc1 24985739 DBKGXGGHUWHRIX-UHFFFAOYSA-N 470.573 4.659 10 40 JJCB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(N(C)C)cc2)cc1 59354192 IOVOHGYKUUWIOL-JOCHJYFZSA-N 489.519 4.864 10 40 JJCB CCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl 95471524 XIHFIIJLZOFOBK-GZTJUZNOSA-N 462.731 4.998 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409232676 BFHDCTMZFKJNIW-JJIBRWJFSA-N 468.557 4.534 10 40 JJCB Cc1c(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 13573592 ZUNLWBKKTBRQGO-GZTJUZNOSA-N 459.955 4.683 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2C)cc1 13647529 YHWYMHYTMXPXPJ-UHFFFAOYSA-N 491.657 4.805 10 40 JJCB Cc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 17010476 WEBZKBNYTKBVDU-MUUNZHRXSA-N 456.634 4.663 10 40 JJCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1CCCOc1ccc(Cl)cc1 17197481 JXNOQZDGMBNPCB-QNGOZBTKSA-N 467.884 4.621 10 40 JJCB COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1OC 22419066 TTXLJHXYAOMVKZ-DEOSSOPVSA-N 460.578 4.695 10 40 JJCB N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 33860798 LOOFMHRXPIKIMP-KBUZEUCASA-N 483.475 4.902 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1 223480671 ABAPAIVXNLLEDR-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB CC(=O)Oc1cc(OC(C)=O)c(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br 408741001 GHZQUDYHPXSJIW-VIZOYTHASA-N 477.694 4.934 10 40 JJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1 408874746 AAGZQINPBULHIT-UDWIEESQSA-N 492.890 4.523 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3Cl)C2=O)cc1 408887447 QSNUTDASJGHXSV-FYJGNVAPSA-N 492.915 4.603 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 408891047 KKQODDMBZKEJOB-LGMDPLHJSA-N 450.853 4.725 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(N)=O 409212842 RKPARBPYBNRWDE-FYJGNVAPSA-N 464.568 4.508 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)NC1=S 409240849 INPQUDNBWWXWDY-JCMHNJIXSA-N 469.541 4.968 10 40 JJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409351259 SRBMBUWHXGZDJN-YVLHZVERSA-N 496.379 4.936 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 13129057 JXWMTBZRERUDTR-UHFFFAOYSA-N 482.483 4.862 10 40 JJCB O=C(COc1ccc(Br)cc1/C=C1/SC(=S)N(C2CC2)C1=O)Nc1ccccc1 36613138 LSGDWXBJYCGWJY-WOJGMQOQSA-N 489.416 4.830 10 40 JJCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)C1=O 205692040 BFHCTZVVAKMQNU-HYARGMPZSA-N 468.575 4.711 10 40 JJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 223722032 WVBDSWZECCYIBD-FTJBHMTQSA-N 476.646 4.977 10 40 JJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC 408784387 QSTUVYOBNOCXNV-LICLKQGHSA-N 487.350 4.530 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1 409334738 VZMMQEHPZRFZMV-HMAPJEAMSA-N 494.569 4.960 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCC1 654594 RRNOJVJBIUXOKE-UNOMPAQXSA-N 472.408 4.814 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccccc1 9319832 ZVLXFIUMODIOHR-HYARGMPZSA-N 470.525 4.866 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)c1 12223372 XCLXUNPLQWXGIJ-ATVHPVEESA-N 455.586 4.535 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)cc1 18249438 ZNXPYUDGSSNCDX-XPWALMASSA-N 485.923 4.652 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1 108070260 LZYKYHIAVWPINT-LPYMAVHISA-N 488.569 4.704 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408801671 WUHOGEXLYCAVLT-BUVRLJJBSA-N 493.475 4.993 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2cccc(C)c2)c1 408814657 VXULHRXVSAHWMU-HYARGMPZSA-N 456.498 4.557 10 40 JJCB CCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)C(=O)N(c2ccc(Cl)cc2)C1=S 409013083 SNTCGIXQBRIUQL-QGOAFFKASA-N 458.967 4.699 10 40 JJCB COc1ccc(-c2cc3ccc(O)c(CN(C)C[C@@H]4CCCN5CCCC[C@@H]45)c3oc2=O)cc1 1565520586 XERJQGMUQHINDR-OFVILXPXSA-N 462.590 4.871 10 40 JJCB biogenic O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(Cl)c(Cl)c1 9096918 MBEIKQHCKJPATI-UHFFFAOYSA-N 454.265 4.564 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3C(F)(F)F)c2C)cc1 13148949 QNSWSKAFJUWEOU-UHFFFAOYSA-N 459.420 4.939 10 40 JJCB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 13511239 BEZPBQKTHYUBSF-ZHZULCJRSA-N 479.583 4.614 10 40 JJCB O=C1/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 27022971 ZWJGBMYQWKDROL-LDADJPATSA-N 479.514 4.620 10 40 JJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 27501247 PFSHFODYPGMLNH-SDQBBNPISA-N 464.659 4.515 10 40 JJCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc(OCc2ccccc2)cc1 27533905 KLWGZRRHUIGJMZ-KGENOOAVSA-N 486.578 4.688 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223468295 LMEIXKOBNJSCDD-ZEQRLZLVSA-N 454.603 4.760 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)cc1 408775542 HZDUVNUGTNKABU-RGVLZGJSSA-N 482.309 4.662 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 408799114 GUXBWGVVRZHVSA-HZHRSRAPSA-N 476.916 4.984 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1Cl 409196558 PJDJKYATCMWYRL-SXGWCWSVSA-N 485.414 4.891 10 40 JJCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)cc1 2273968 RZOULBXFMNCMDN-RCCKNPSSSA-N 474.538 4.819 10 40 JJCB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(O)ccc2cc(Br)ccc12 3503912 NZCAELJCGDLEBT-UHFFFAOYSA-N 470.367 4.727 10 40 JJCB Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1 14730497 KHQRYHKHWCUHKV-UHFFFAOYSA-N 464.521 4.988 10 40 JJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 40221253 BYFYMAKLXJBJKQ-UYRXBGFRSA-N 475.551 4.790 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N2O1 41078475 PPJSYFKYXJEMFT-ONADPJLJSA-N 451.910 4.865 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1 59135360 MKIKEIFCAKNFKR-HYARGMPZSA-N 475.476 4.917 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Br)ccc4O)[C@H]3C2=O)c1 9210005 IRMJANOKFATPBX-VSKRKVRLSA-N 479.330 4.514 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 100031442 YGXDTZBAWIOOJN-HZHRSRAPSA-N 496.976 4.868 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 107648430 DBGGZKGZBXFXGL-LDADJPATSA-N 453.281 4.674 10 40 JJCB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 222397411 HUPAXJUCHNUJHJ-ZVDOUQERSA-N 492.314 4.689 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 223308924 DXKOGGNHCRRVTJ-ZTCOLXNVSA-N 450.583 4.780 10 40 JJCB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NC(C)=O 225601986 CKUFQGCCOQEZFD-KRWDZBQOSA-N 461.653 4.643 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1O 260909949 BDHKHDBHDNWPQQ-DQMJNTIXSA-N 483.037 5.000 10 40 JJCB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408536035 PPLFSTZLDGZIEU-NIFOVZITSA-N 490.874 4.764 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cccc(F)c2)c1 408889340 CRZHBJLIMQOJDF-LPYMAVHISA-N 474.488 4.697 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223055804 ZFPDOIOXCUDIKQ-RPWUZVMVSA-N 450.608 4.507 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OC(C)C 408823572 DZVDBJMVSDJYDC-ZSOIEALJSA-N 482.842 4.821 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 408989902 JJCAGVDKSDNBIK-XMHGGMMESA-N 496.504 4.961 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 408997590 HHQJHFNXWBYDDE-UNOMPAQXSA-N 456.336 4.952 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 409222013 AXUXUSDYZOHLAW-UYRXBGFRSA-N 461.499 4.810 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(O)=NC1=S 665796 KKHGOGSOYPFGHS-ATVHPVEESA-N 462.483 4.633 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(C(F)(F)F)c1 1155901 NAGUIEDAMCZFOE-LDADJPATSA-N 470.363 4.911 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)N(c2ccccc2)C1=S 8396149 RFEGWTLHTKGNIZ-RCCKNPSSSA-N 474.538 4.907 10 40 JJCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)c1C 12436484 OREWNDKABKVJMN-VABKMULXSA-N 485.923 4.652 10 40 JJCB CCCC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 6471553 PDPVGDTWQNZKME-UHFFFAOYSA-N 477.629 4.688 10 40 JJCB aggregator CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 13551178 UZEHFKCNLKOEKM-PDGQHHTCSA-N 471.296 4.892 10 40 JJCB Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)S(C)(=O)=O)cc1C 13670671 HOHWSOBISIODGD-UHFFFAOYSA-N 491.657 4.800 10 40 JJCB N=C1/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 13769020 IYOPSDLYZKBKGX-PGVWHCLMSA-N 487.928 4.622 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(=O)O 223538555 DXNQYVFOKQNNPJ-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB CCCCCCOc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 408541012 XGOKLGOTOGNRCI-SFQUDFHCSA-N 469.401 4.913 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408582607 DNBSVBAAOHMJFI-ZSOIEALJSA-N 451.237 4.918 10 40 JJCB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)c1 408995633 KKNNZKAZPNARED-YDZHTSKRSA-N 453.473 4.804 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1Cl 409176860 ZMKTXQJHOJRMKE-UDWIEESQSA-N 455.967 4.924 10 40 JJCB Cc1c(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1907864 AANHEBGVSCOHTO-ATVHPVEESA-N 486.416 4.653 10 40 JJCB CCCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 6142030 RMIKWGWBLWYHJM-ZNZIZOMTSA-N 471.557 4.593 10 40 JJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8763414 VBIFQJHZJCMSRD-MGMWDDNKSA-N 452.897 4.573 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 9235726 AWCNJQAZHSYJCB-MDSNLERGSA-N 478.940 4.949 10 40 JJCB COc1cccc([C@H]2CC(c3ccccc3O)=NC3(CCN(Cc4ccccc4)CC3)N2)c1O 32955224 RDQCPRYZNDFNKP-XMMPIXPASA-N 457.574 4.622 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208229551 AAFRYSVCEKLRQL-NIZGNDASSA-N 461.562 4.782 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 208474235 KDQJEKIOWATQDL-WOJGMQOQSA-N 451.979 4.803 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(O)cc1 223498293 KOGWYIIICGJJTA-LOSJGSFVSA-N 455.587 4.762 10 40 JJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 224394060 OLQONOHSUJPOPJ-OAQYLSRUSA-N 495.645 4.796 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 8453056 UDCBZQNVIQHUGP-OQZKWKKUSA-N 478.574 4.818 10 40 JJCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 9193138 JUJWYZKYGXUSCU-GUOILJMFSA-N 465.579 4.921 10 40 JJCB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 14086085 QKRYBAQUOFTGSJ-FQEVSTJZSA-N 479.646 4.754 10 40 JJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl 32109996 ANRVSYHPXPEGPI-RQZCQDPDSA-N 451.331 4.687 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC(C)C 100233112 CRBUGWIIVUZGSN-LICLKQGHSA-N 476.314 4.893 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101481640 KQGICYUEUPZPEJ-PWRODBHTSA-N 492.314 4.689 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223687778 CXQXEDKTRBFPBJ-DQEYMECFSA-N 462.619 4.587 10 40 JJCB CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] 408741298 IFVZNCNVLHUKJP-AWNIVKPZSA-N 464.655 4.917 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccc(F)cc2)C1=O 408882701 NOTJZOBHQCDUHF-HMAPJEAMSA-N 474.488 4.642 10 40 JJCB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(C)n1-c1ccccc1 13129520 BULRSFZLEBTALU-UHFFFAOYSA-N 499.544 4.511 10 40 JJCB CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 13547863 YAMAFBOJZPWZNU-JWGURIENSA-N 455.027 4.979 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 13940689 XUHGCDDSIWTLRD-GBEVANGZSA-N 478.574 4.881 10 40 JJCB O=C(O)c1ccc(COc2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)cc2)cc1 33330903 DWZCSLLHSBADOY-CPNJWEJPSA-N 476.485 4.775 10 40 JJCB O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S 33340381 ZEHOYBVWIWSCAL-XDHOZWIPSA-N 470.522 4.916 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1C 59336722 GBMYPFAETUYFJK-UNOMPAQXSA-N 465.303 4.992 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c(OC)c1 208260220 MRVFQTLAEVJIQJ-YFEUJDIGSA-N 497.979 4.746 10 40 JJCB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 408697724 LNMRCHYZMZQRCU-UHFFFAOYSA-N 472.950 4.729 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC 408810731 UQTHALVMVLQRKY-XQNSMLJCSA-N 486.524 4.729 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1 408885620 CYDVMBKSZHHXEK-RCCKNPSSSA-N 476.916 4.984 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408992516 SFTLBAKNBVQDOW-LDADJPATSA-N 490.566 4.589 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C 640721 WQQSEGUFQCEWGY-UDWIEESQSA-N 493.357 4.807 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1OC 1452274 FLLBIQGXPKEVNO-MFOYZWKCSA-N 483.398 4.947 10 40 JJCB O=S(=O)(O)c1ccc(/N=N/c2ccc3c(S(=O)(=O)O)cccc3c2O)c2ccccc12 3954029 MKQVCJWNUFUUQK-QURGRASLSA-N 458.473 4.607 10 40 JJCB in-vitro O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1Br 9187970 FZDOTFZGYSUIIX-PDGQHHTCSA-N 462.800 4.895 10 40 JJCB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 9285306 XZKKBZQUYIGSDF-UHFFFAOYSA-N 479.911 4.786 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 9324321 PUBJJQRSIDRMTF-GDNBJRDFSA-N 485.279 4.926 10 40 JJCB CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)c2cc(Br)ccc21 13775143 CXHWNXIMOMIBAP-ZHZULCJRSA-N 472.342 4.724 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N2O1 41078478 CDWBMGIQBNQNRL-LEHBZZPOSA-N 451.910 4.865 10 40 JJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C 223009948 QOKKFRDKDJUDJU-VXKWHMMOSA-N 485.451 4.871 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(F)c1 223225374 VREOFFMBFIEJJX-BJKOFHAPSA-N 451.615 4.552 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223543893 MTKHMNMHRXNFTQ-DQEYMECFSA-N 454.603 4.760 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1C 409108163 SBUXDQCPMOPRHM-BKUYFWCQSA-N 453.539 4.718 10 40 JJCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409224908 JHPPLSXMGJUYLR-DHDCSXOGSA-N 454.857 4.589 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409247650 FEBBSLNMAFHEEQ-WSDLNYQXSA-N 487.581 4.778 10 40 JJCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12 1176769 UJMGOSLYIWJDNA-UYRXBGFRSA-N 481.371 4.832 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1Cl 9428613 JMOJERSWHNHLPK-VBKFSLOCSA-N 454.891 4.759 10 40 JJCB C[C@H]1CCCCN1CCCCNC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 58162141 XLNXMTMGTDGINZ-SFHVURJKSA-N 456.553 4.508 10 40 JJCB COCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 199401967 YBCBSKBKRNEHOX-PGMHBOJBSA-N 452.605 4.610 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223055598 RHOLOGPICACVBB-BJKOFHAPSA-N 450.608 4.507 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OCC 408768461 JKXYSCUDIZESFZ-JCMHNJIXSA-N 465.546 4.756 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C 408804278 WZUCEHBGUVBFQZ-OQLLNIDSSA-N 463.317 4.846 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br 408807910 LNBSBOQMOAKTAV-OQLLNIDSSA-N 477.742 4.866 10 40 JJCB O=C(O)c1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)SC2=S)c1 409096115 JUDNYTQQMFKGDS-CPNJWEJPSA-N 469.544 4.689 10 40 JJCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cccc1OC 409107816 QYCASPNSGQOTDD-SEVUAYLXSA-N 463.317 4.846 10 40 JJCB CCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2445376 INBDPJLIJLKNFX-QNGOZBTKSA-N 490.654 4.567 10 40 JJCB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854955 XEBQUJCYZGEZLW-OAQYLSRUSA-N 484.025 4.632 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1c(C)cccc1C 41082593 ZCDLUAOEDSSRRG-ATVXKWJESA-N 461.518 4.610 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(F)(F)F 223615481 ZQDDQEQNMWBDCZ-FGZHOGPDSA-N 474.552 4.863 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)ccc1Br 408760303 WHZXBQRTHXPAKG-GZTJUZNOSA-N 469.266 4.823 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2OC)cc1 408842235 JIYXZQNCPPFSKZ-HAVVHWLPSA-N 456.498 4.715 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 408849732 YVLDFFYRMRWHHW-ZMOGYAJESA-N 456.542 4.829 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 9191917 QTACXFNSUBFSOS-BVDVPRQSSA-N 460.950 4.810 10 40 JJCB COc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 9526234 ILIAGXHHSXYBBO-UHFFFAOYSA-N 471.351 4.708 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 9720706 DJLYAVHOIIDIDW-CIAFOILYSA-N 476.510 4.937 10 40 JJCB CCCOc1ccc(/C=C2/SC(=S)N(CN3CCN(c4ccccc4C)CC3)C2=O)cc1 20081010 MGRVBORJURNQKQ-HAVVHWLPSA-N 467.660 4.765 10 40 JJCB CCCCOc1ccc(-c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)nccn3n2)cc1 33266283 FSJZIACJORNVMS-UHFFFAOYSA-N 457.578 4.910 10 40 JJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 102754775 HTWFYLIVGNAONG-DNVJHFABSA-N 465.912 4.596 10 40 JJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c([N+](=O)[O-])c1 222836027 WNQCXAPBSBCVAQ-XZOQPEGZSA-N 465.579 4.787 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)c1 408742221 VIBSDRCEUGIZSM-PDGQHHTCSA-N 451.276 4.684 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408867802 LUWVKADRCOTKCK-MOSHPQCFSA-N 493.928 4.659 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c(OCC)c1 408934821 DCYDSPYUNWHTBC-XSFVSMFZSA-N 479.920 4.595 10 40 JJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408960423 LPSXOUVZKWUREB-DTQAZKPQSA-N 460.386 4.815 10 40 JJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409013268 UDAFABWRZNPYDL-AGZSBTIMSA-N 450.919 4.875 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1[N+](=O)[O-] 409229552 QYCQJPHJVFRZJI-YBFXNURJSA-N 492.919 4.939 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 409233052 JQOIBTSAQSKJOX-OEAKJJBVSA-N 486.597 4.501 10 40 JJCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409248279 PBVATTLGISZJEU-LDADJPATSA-N 473.392 4.803 10 40 JJCB CCCOC(=O)CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 1809448 BLNGYPMJBHKLQU-BKUYFWCQSA-N 450.585 4.844 10 40 JJCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)C1 10060225 YYYJRPMPZDBSKY-QFVADWCQSA-N 480.586 4.520 10 40 JJCB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1 10113657 WHVBJGVSHYRFNL-UHFFFAOYSA-N 495.670 4.764 10 40 JJCB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)c2ccccc21 27549109 MSVYXJJSIWBUND-KGENOOAVSA-N 472.545 4.633 10 40 JJCB COc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 65298103 WWZUOZYQYWDEFF-JOCHJYFZSA-N 472.427 4.888 10 40 JJCB biogenic CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S 409008990 AYQVBYOGDNHOIK-XSFVSMFZSA-N 464.978 4.706 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409233069 JRLBEJVAUVFHDV-LDADJPATSA-N 481.911 4.952 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409335023 XHEGCMLJCGSQTQ-IUXPMGMMSA-N 495.376 4.776 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 260912015 DXKOGGNHCRRVTJ-AGILITTLSA-N 450.583 4.780 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)NC1=S 408781260 BBAWGPRIYDWYNK-DEDYPNTBSA-N 494.414 4.996 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Br)c1 408880152 DRLWNUKTYCGJDH-BOPFTXTBSA-N 497.295 4.985 10 40 JJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1 408881479 LIJJXAVGZGSCGV-PCLIKHOPSA-N 498.535 4.726 10 40 JJCB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(C3CCCCC3)cc2)c1C 409131352 IHYBHSWVORCOOH-HAHDFKILSA-N 465.619 4.715 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c(C)c1 409148393 POGAQFIPUOPNRM-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)o1 409328782 AZHRSTXNQWIFOB-YVLHZVERSA-N 470.553 4.561 10 40 JJCB CCOC(=O)N1CCc2c(sc(NCc3cccnc3)c2C(=O)Nc2ccccc2OCC)C1 920959 XKGXGGNMQKKLFR-UHFFFAOYSA-N 480.590 4.921 10 40 JJCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2250253 IAVYFGHHOOGHPY-WQRHYEAKSA-N 456.637 4.605 10 40 JJCB [N-]=[N+]=N[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 5663426 UXZVJXHFRPKVBE-RMTZWNOUSA-N 495.539 4.512 10 40 JJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C 8407902 XJILHKRHXSEBDO-HAVVHWLPSA-N 472.541 4.621 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccccc1I 8935081 XFTXCCCWFXNVFF-UVTDQMKNSA-N 482.119 4.772 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 9933806 MKSWMWYSSSZAJK-CIAFOILYSA-N 487.581 4.549 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3Cc3ccccc3Cl)C2=O)cc1Cl 13514259 ITOUXNIEULJBPP-WOJGMQOQSA-N 454.313 4.818 10 40 JJCB O=C1c2ccccc2-c2onc3c(Oc4ccc(Br)cc4)cc(NCCO)c1c23 13593339 DSMZWMDKPHCPIX-UHFFFAOYSA-N 451.276 4.998 10 40 JJCB CCCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 16805827 XTLYXTNGRNVAEK-MOSHPQCFSA-N 478.643 4.925 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C1=O 59249622 GPPQAUPELCVIMW-UDWIEESQSA-N 491.931 4.675 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Br)c1 223268751 MHCLETPHLGCGRL-XZOQPEGZSA-N 498.494 4.786 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)nc1 223468459 WSLPPFOJPDMCEI-RPBOFIJWSA-N 454.603 4.760 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621342 BSDMNAZVISSKBK-DHIUTWEWSA-N 455.027 4.806 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(c2ccccc2)C1=S 409022748 RQPLNAUNLFMRRM-HKWRFOASSA-N 461.499 4.809 10 40 JJCB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1 409359624 NDSJKUUSYQZQCM-ODLFYWEKSA-N 488.407 4.807 10 40 JJCB O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1 2256275 WQZHHOOSDCCHNM-STZFKDTASA-N 491.550 4.720 10 40 JJCB COc1ccc(/C=C2\N=C(c3cccc(Br)c3)N(c3nccs3)C2=O)cc1OC 2437168 NYKGTTULJIWEFJ-YBEGLDIGSA-N 470.348 4.757 10 40 JJCB COc1ccc(-c2c(C)oc3c(CN4CCN(c5ccc(OC)cc5)CC4)c(O)ccc3c2=O)cc1 41585805 XITTZCICHTVWIR-UHFFFAOYSA-N 486.568 4.813 10 40 JJCB biogenic CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199424813 SLABURKOEDITOH-AREMUKBSSA-N 478.036 4.563 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 223311822 IHQQPKCOELIZOO-DFCKQENNSA-N 475.662 4.707 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)N1CCCC1 408575950 OXYHECSVHDBAJG-QJOMJCCJSA-N 496.654 4.530 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 408814887 SMAYLPVWOVHRGE-XSFVSMFZSA-N 477.314 4.695 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408876887 RMRQTZJRTHQPNT-PDGQHHTCSA-N 495.850 4.633 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1F 408883511 RGFAQLCJAHCLNF-DEDYPNTBSA-N 474.488 4.697 10 40 JJCB CCOc1cc(Br)c(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC 409200416 LGCIGCAGMXBENE-MFOYZWKCSA-N 467.410 4.812 10 40 JJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1246260 INYVQNWPLNOJQV-XUMLYMLNSA-N 476.627 4.647 10 40 JJCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C 2098046 XYEHJHJZCLGVDG-WQRHYEAKSA-N 463.361 4.720 10 40 JJCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCSc1cccc2ccccc12 8843104 LCZUHFKMQWTMLJ-UHFFFAOYSA-N 490.581 4.843 10 40 JJCB COc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c3ccccc32)c1 8916775 YCSWYGYYPAEXRE-PEODKBGFSA-N 473.558 4.758 10 40 JJCB Cc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 10113611 QCJINPHFAUJSFX-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)c(C)c2)cc1 13669660 GSSLMQGETICCGY-UHFFFAOYSA-N 491.657 4.724 10 40 JJCB Cc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2Cc2ccco2)c1 18972718 NRXHQOJDHXRYMF-UHFFFAOYSA-N 475.618 4.712 10 40 JJCB Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 23699436 MDUHLWSYGSLHPK-UHFFFAOYSA-N 457.500 4.857 10 40 JJCB O=C1/C(=C/c2ccc(N3CCCCC3)o2)C(O)=NC(=S)N1c1cccc(Br)c1 59138121 TYYRWJNWJYIVGE-FOWTUZBSSA-N 460.353 4.704 10 40 JJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C 222882385 AUMPAKVTMHHFNA-XZOQPEGZSA-N 465.579 4.788 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 408778961 NROATYSMOZKCHI-LFIBNONCSA-N 465.859 4.871 10 40 JJCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 12445283 HECFYDYZBKXMSY-QPLWNTGLSA-N 454.954 4.599 10 40 JJCB CCN1CCN(Cc2c(O)ccc3oc(C)c(C(=O)Nc4cccc(C(F)(F)F)c4)c23)CC1 19794028 ZIEORZBTTRHPEF-UHFFFAOYSA-N 461.484 4.855 10 40 JJCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 23854929 HOURYZVSDBZQMJ-MUUNZHRXSA-N 456.590 4.687 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1OC 26713010 PCIBEHIBHQJGBQ-FHAJGWRGSA-N 494.573 4.581 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 223308753 SWWDKCDYQCXNKX-NKKJXINNSA-N 450.583 4.780 10 40 JJCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(OC)cc1 224602770 AOPKYFCWDOQWSM-UHFFFAOYSA-N 476.573 4.644 10 40 JJCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(Br)cc2)SC1=S 256055534 KAJPAZRQYHRJJV-XIDKLXSXSA-N 491.432 4.737 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl 409046176 JAZXHENKYRNDGY-MHWRWJLKSA-N 463.317 4.847 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409181729 FIFQWJCDGIILAQ-CHHVJCJISA-N 454.888 4.897 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)c1 409244880 JZSGGTRTPXEUBB-CJLVFECKSA-N 455.583 4.888 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409343184 GJTZJRMDNGWWBB-WQRHYEAKSA-N 493.990 4.705 10 40 JJCB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 13025231 VIDVDDHECBTPMG-AREMUKBSSA-N 489.572 4.564 10 40 JJCB Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1C 17052531 QSDFIOIWNSUBES-NDEPHWFRSA-N 474.624 4.802 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408692959 ZHFOCWYOGYTUKI-VCHYOVAHSA-N 489.355 4.985 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc(Cl)cc2)c1 408805487 KQSFUBVJSSKBPY-LPYMAVHISA-N 476.916 4.902 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 409013891 OEJNZQHYHLZVNH-WOJGMQOQSA-N 484.737 4.868 10 40 JJCB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 409168957 OHZCWGJYQVTPLZ-DEDYPNTBSA-N 453.589 4.684 10 40 JJCB CCOc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O 8922850 ZJSLUNOSNPSMRC-GOSISDBHSA-N 466.401 4.810 10 40 JJCB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 34846197 QLSIDGXTVQOUKY-WQRHYEAKSA-N 496.350 4.781 10 40 JJCB COc1ccc(N2CCN3c4ccccc4C[C@@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@H]3C2)cc1 36056322 MGYJKQTUAYBLTQ-PXJZQJOASA-N 466.585 4.664 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)c(OC)c1 208470040 RPMIBFOOTCRGFW-VCHYOVAHSA-N 495.963 4.655 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 208472809 MQHZTTMECXTJPY-YBFXNURJSA-N 482.005 4.812 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccccc1 408882964 SBFDOFPLZIZALX-JWGURIENSA-N 470.525 4.893 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O 409211305 MWYIEVCYGKRCRT-CAOOACKPSA-N 483.398 4.662 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409228297 WXXOJPKCKZTCEL-GXDHUFHOSA-N 487.320 4.783 10 40 JJCB Cc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409345668 ISUBZJISBRFYSE-UFFVCSGVSA-N 478.551 4.927 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 409407184 LPUKGKPVAOLDTO-ODLFYWEKSA-N 452.869 4.528 10 40 JJCB O=C(O)c1cccc(N2C(=O)/C(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)c1 1276515 MPCCPOXXPVCGFT-MRCUWXFGSA-N 472.547 4.708 10 40 JJCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 10232844 ZCQMNKWUGCZPDG-UGMNDJHYSA-N 486.354 4.773 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OC(=O)c3cccc(OC)c3)c(OC)c2)SC1=S 12629302 SHDDEKQSOGZJOD-YVLHZVERSA-N 463.964 4.798 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 16160874 SXHBWOVJOGLXQI-NSIKDUERSA-N 464.113 4.746 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCCOc1ccc(Cl)cc1 26593482 FWRMTJXTKNMKNZ-CJLVFECKSA-N 493.903 4.558 10 40 JJCB CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1cccc(OCC)c1O)N2 65298327 GLLQJVKZGWJVFN-JOCHJYFZSA-N 451.567 4.572 10 40 JJCB biogenic CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)c2c1 408786699 UWGGTQYIDIGXII-XQNSMLJCSA-N 458.514 4.866 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 408803137 LOUSGTVJNLFQBU-CIAFOILYSA-N 476.916 4.902 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Cl)C2=O)cc1 408868424 MMNANFKHDAOYBV-PXLXIMEGSA-N 476.916 4.614 10 40 JJCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S 409146500 SJQFLLKZUQJZOZ-LJQANCHMSA-N 486.442 4.999 10 40 JJCB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)o1 409216651 NFZIPGWDPKKOGJ-GRSHGNNSSA-N 451.481 4.779 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1 409330035 JTHZQOHUSVBBMV-NDENLUEZSA-N 494.550 4.508 10 40 JJCB COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1I 409342123 CCODJISXMWHMAX-OVCLIPMQSA-N 498.323 4.614 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c(Br)cc1O 409344917 IBVRBFPVXOLWDX-MFOYZWKCSA-N 466.378 4.968 10 40 JJCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 10113157 ISAHARBULSIKDE-UHFFFAOYSA-N 495.620 4.636 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 13896193 JMYHZCZQDXQUND-RCCKNPSSSA-N 478.932 4.576 10 40 JJCB CC(=O)N1[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CS[C@@H]1c1ccccc1O 14009688 SZHBCTCNBFJFJB-RPLLCQBOSA-N 460.599 4.626 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)C2=O)c1 107759057 KTERGKZLFIBTGW-ZHZULCJRSA-N 460.873 4.534 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223694014 BPQDCSBGFNZNJH-BJKOFHAPSA-N 483.037 4.987 10 40 JJCB CC(C)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)cc3)C(=O)c3ccccc3C2=O)cc1 250565454 CJBWOCOFPGOMDQ-VXNXHJTFSA-N 483.495 4.644 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 2618863 PNLCUSLKCNZZSO-XMMPIXPASA-N 469.463 4.763 10 40 JJCB Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccc(Br)cc1 3378461 DZOOIATUFHYSMG-UHFFFAOYSA-N 472.383 4.540 10 40 JJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc(C)c1Br 4087152 DLAVIVSWUYLBEP-RGVLZGJSSA-N 496.361 4.728 10 40 JJCB N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 9424530 AQPNIIPDWSNMPW-NJABPNOBSA-N 473.945 4.981 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccccc12 10232915 UBUAZSNHIAAGAT-MOSHPQCFSA-N 470.019 4.772 10 40 JJCB O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)c1ccco1 13025016 LAAPSSPPHFISIE-VWLOTQADSA-N 493.629 4.620 10 40 JJCB Cc1ccc(-c2nc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)n(-c3ccccc3)n2)cc1 27562417 AYSWWDMQSNLJSG-XPFMCRKWSA-N 462.600 4.623 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 100562408 HUPAXJUCHNUJHJ-IRFCIJBXSA-N 492.314 4.689 10 40 JJCB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC 408532261 NQCFTWSDZXBFJU-PXNMLYILSA-N 484.382 4.960 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408724571 BQVWAZKRZJBAPZ-HAHDFKILSA-N 486.524 4.648 10 40 JJCB CCOc1cc(OCC)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Br 409135773 VZIUWSBCOQYIBW-WQRHYEAKSA-N 475.364 4.647 10 40 JJCB C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1cccc(C(F)(F)F)c1 9335148 HXZJAQQBSDWAAG-CYBMUJFWSA-N 467.399 4.665 10 40 JJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cccc(OC)c2OC)cc1 20289244 HRDTYCHYFKRADT-KQWNVCNZSA-N 488.500 4.758 10 40 JJCB O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCCN1CCOCC1 25666343 BNHHRBRULOEXDV-XMHGGMMESA-N 493.448 4.633 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 408806777 BRMJQROSSDWHCB-CIAFOILYSA-N 476.916 4.902 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 408872560 GKZRAVQUPMJGFU-ZHZULCJRSA-N 493.382 4.859 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 408874263 ZPSCRTCANCASRU-JCMHNJIXSA-N 472.566 4.804 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OC(C)C 408898970 NNENMPNNMZVKDW-BOPFTXTBSA-N 487.350 4.610 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)o2)c(Br)c1 409229460 PIUCIDMYDASQKM-RVDMUPIBSA-N 469.266 4.823 10 40 JJCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2253651 FKXPGBRATMANMO-MOSHPQCFSA-N 478.643 4.515 10 40 JJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 8825091 XEACFTVVJCQJMX-AZZDOICSSA-N 452.897 4.573 10 40 JJCB O=C(O)c1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1 16429973 HVVDQNJZTJRSIP-LDADJPATSA-N 451.891 4.501 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N(c4ccc(Cl)cc4)O[C@H]3C2=O)cc1 102170797 MJQICELWPUGOSS-RBZQAINGSA-N 461.949 4.766 10 40 JJCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 223515090 MWGFUPKQLCNGQH-SRZZPIQSSA-N 487.556 4.800 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 409098278 KVOQLTAYPFFXBC-RVDMUPIBSA-N 462.333 4.515 10 40 JJCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 409131337 IHLJVNPESFKYEE-OCTXWABXSA-N 492.464 4.636 10 40 JJCB COc1cc(Br)c(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 409160232 FCSKQZOQNRADHR-LJQANCHMSA-N 480.449 4.871 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 409390359 FCHVGGGOBDAUQC-LICLKQGHSA-N 499.752 4.571 10 40 JJCB CC(C)n1ncc2c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc(C3CC3)nc21 9468162 WMKWPWGMFRDTSZ-JOCHJYFZSA-N 461.610 4.777 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 13940233 YVDIRLYFEPFCDI-RSPUHVBCSA-N 494.573 4.581 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)OCc1ncc(-c2ccc(F)cc2)o1 96937140 SVLFTRDKXCYKGB-YBFXNURJSA-N 486.521 4.955 10 40 JJCB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C1=O 102741667 HSDWLWOJDSTNLY-BHIFYINESA-N 479.330 4.514 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)nc1 223544217 QWCUUEUMHYXYMQ-JWQCQUIFSA-N 454.603 4.760 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223656682 BMLARTCILLNZLH-JWQCQUIFSA-N 462.619 4.642 10 40 JJCB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)O)c(O)c1 408634543 VYOFOZKQTCMKOH-XKZIYDEJSA-N 498.605 4.752 10 40 JJCB CCN1C(=O)/C(=C\c2ccc(Br)s2)C(=O)N(c2ccc(Cl)cc2)C1=S 409013334 MZIMVKNFXINXCF-UKTHLTGXSA-N 455.786 4.728 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409095018 AVIRQOAOAAXOFB-GZTJUZNOSA-N 498.322 4.766 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cc(C)cc(C)c2)cc1 10113536 KHPFZKFGRXECMH-UHFFFAOYSA-N 491.657 4.724 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 13343548 FNNBILABLKSZJQ-ZHZULCJRSA-N 479.583 4.614 10 40 JJCB COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc(OC)c1 22419199 WNLXKJBLBAFHRR-HHHXNRCGSA-N 474.605 4.691 10 40 JJCB CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)OC)cc4)N=C3C)o2)c1 32099596 ULUOBSLVGYHDJC-JCMHNJIXSA-N 458.470 4.716 10 40 JJCB COc1ccc(-c2coc3c(CN4CCN(c5ccc(OC)cc5)CC4)c(O)ccc3c2=O)cc1 41585804 FKMBUNLLRXKLIT-UHFFFAOYSA-N 472.541 4.505 10 40 JJCB biogenic COC(=O)C[C@H](c1ccc(OC)c(Cl)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221142 XZZWBWLFUWRLLB-OAHLLOKOSA-N 496.899 4.934 10 40 JJCB biogenic Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)nc1 223468572 WSLPPFOJPDMCEI-DQEYMECFSA-N 454.603 4.760 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 225505857 MXJMAXMVXUOLAG-RRPNLBNLSA-N 497.624 4.806 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408533792 KSPVPVCISGKEBJ-LRXQLKOGSA-N 496.519 4.679 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 408991589 OKAZHKGFURVRDC-SFQUDFHCSA-N 490.566 4.589 10 40 JJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2700953 RYVXARJHKGPRLC-YLRSXTQRSA-N 477.991 4.992 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)cc1 8819989 GFCXZMOSBVIPHG-MOSHPQCFSA-N 470.572 4.521 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)C(=O)N=C3S2)cc1 26675887 YVRQBVKOUXILBO-ODJOWLHGSA-N 457.471 4.831 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1ccccc1Cl 169682756 TUTOBFTYNPYTLB-ACRUOGEOSA-N 499.748 4.859 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O 225505687 WAKAUCOCKRWTLO-SXOMAYOGSA-N 497.624 4.806 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408593017 OBXOYDCSDIBJME-BHGWPJFGSA-N 473.573 4.539 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N(c2ccccc2)C1=S 409019483 STHPLUONMJOHFE-RCCKNPSSSA-N 474.538 4.907 10 40 JJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 409057732 HVEWDNVKWMGCRX-ZUVVCWCJSA-N 468.981 4.908 10 40 JJCB Cc1cc(C(=O)COC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c(C)n1-c1ccc(OC(F)F)cc1 3425309 HWMAAJVPEFJCIB-DEOSSOPVSA-N 498.526 4.876 10 40 JJCB CCOC(=O)c1c(NC(=O)C[C@H]2SC(=S)N(Cc3ccccc3)C2=O)sc2c1CCCC2 9189410 UJKFQHWUCDLIIE-QGZVFWFLSA-N 488.656 4.561 10 40 JJCB CCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 9360546 NPKUFIZNSVQWBT-ZHYNSCGTSA-N 470.664 4.568 10 40 JJCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1OC 9971286 YRZWOMOJLRFQLE-LDADJPATSA-N 464.406 4.910 10 40 JJCB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(Br)cc(OC)c2O)c1 12534774 VDWBIOMDWZVCSI-NRFANRHFSA-N 455.308 4.943 10 40 JJCB CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 15227826 GHLZISWFOBIYAW-BKUYFWCQSA-N 463.584 4.920 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 100947775 JUWWZSYCQTWNQT-XLNRJJMWSA-N 480.549 4.869 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccc(C)cc2)c1 408803588 QVCUBTUEMLXIHZ-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2cccc(C)c2)c1 408818917 YUTGWGQQUZEUNK-WSDLNYQXSA-N 476.916 4.902 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408909674 ICHSUTVVLQEFDW-FYJGNVAPSA-N 479.989 4.583 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 8453054 KUFDMJSLGKSLSA-RSPUHVBCSA-N 478.574 4.881 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 9254232 LURIGCRJFNKZAA-DEOSSOPVSA-N 471.891 4.676 10 40 JJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc(C)c1 13424007 OALOOMXFNNQLRV-LZAZYHHXSA-N 469.584 4.603 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914490 VIWZTECWQLWCOY-AREMUKBSSA-N 481.015 4.838 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2C(C)=CC1(C)C 208519531 CYBMIAPIXGGHCS-CPNJWEJPSA-N 463.578 4.987 10 40 JJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223055743 ZFPDOIOXCUDIKQ-ZEQRLZLVSA-N 450.608 4.507 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223721304 BYCARDYJFGLQTO-JWQCQUIFSA-N 462.619 4.723 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260912342 FTYAKFUFCSEZQA-DNQXCXABSA-N 464.635 4.639 10 40 JJCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O 408548823 LRGJUNFZZNYTOU-BRJLIKDPSA-N 487.600 4.628 10 40 JJCB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408677755 RFIHBDPRNUZKCG-UHFFFAOYSA-N 483.568 4.545 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1C 408777021 UQRFXCRWDUWTRR-FYJGNVAPSA-N 491.931 4.509 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408780420 YAXLPXFVOCZPKB-UQQQWYQISA-N 482.536 4.577 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1C(=O)O 1823837 CIFOLZZFMMWRKW-SFQUDFHCSA-N 460.964 4.658 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 2639378 XAEHQIOUQPNZGB-AREMUKBSSA-N 461.949 4.714 10 40 JJCB COc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c(OC)cc1Cl 6603340 WTWGAGLRYALEFV-UNOMPAQXSA-N 492.915 4.603 10 40 JJCB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025210 DFNAKNLKBPYFIW-VWLOTQADSA-N 489.572 4.579 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 33608988 IEKKZEFFTYOCIT-OQZKWKKUSA-N 455.543 4.770 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223480186 WHCMPVLBBBTGQJ-RPBOFIJWSA-N 455.587 4.757 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)c(C)c3)C2=O)cc1 408807595 DKODLCMSNOSEDO-ZVHZXABRSA-N 486.524 4.566 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)cc1 408984407 QOQIMQBPHPAYEH-MTJSOVHGSA-N 491.931 4.675 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c1 409008943 AOLQPNZKTHVGKQ-LPYMAVHISA-N 487.581 4.549 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 409069276 IHDNTXUGCUXJLO-DEDYPNTBSA-N 490.899 4.592 10 40 JJCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1 409205367 PYTLGBYHPMFHQW-HMAPJEAMSA-N 493.610 4.668 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2247748 ZOJDDEFRFVLYSE-AQTBWJFISA-N 458.653 4.852 10 40 JJCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3cc4ccccc4c(C(=O)O)c3O)cc2)s1 4972344 FIFCPLBMHGFHAH-GHVJWSGMSA-N 469.504 4.620 10 40 JJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 9310562 GIZLNUVBPXQVEI-UDWIEESQSA-N 457.573 4.660 10 40 JJCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 13809786 KQKUDSWXDACLJK-HAVVHWLPSA-N 474.586 4.631 10 40 JJCB CCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4C(=O)OC)o3)C(=O)N=C2S1 13894847 TUDNNJGCNZWPHK-ARFHJRQPSA-N 450.520 4.933 10 40 JJCB COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccc(N(C)C)cc2)c1O 19325058 CHQKSQWRCAPRJA-UHFFFAOYSA-N 477.605 4.588 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(O)n2)c(C)n1-c1ccccc1 24754773 JUVNKDINSVPYTM-UHFFFAOYSA-N 452.486 4.905 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F 108223910 UIHOHQDQYNZHJI-WQRHYEAKSA-N 497.320 4.637 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2c(F)cccc2Cl)cc1 408601905 MBGYETCTMPORQW-AQTBWJFISA-N 450.853 4.725 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1 408873884 WQXSSMVEZDOERV-KGENOOAVSA-N 464.880 4.745 10 40 JJCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cccc1OC 409107817 QYCASPNSGQOTDD-SLQMCABGSA-N 463.317 4.846 10 40 JJCB CCOc1cc2c(cc1C=C1C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C1=O)OCO2 409107831 RETQWDBRFCDQJM-UHFFFAOYSA-N 472.522 4.562 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OC 409245226 PICWIRMVOJMTNA-LICLKQGHSA-N 458.967 4.702 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)SC1=S 409339817 YYROVFXOWJCEJT-MFOYZWKCSA-N 461.477 4.525 10 40 JJCB COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 9309192 HHXGVXLVTGKIII-SZRLJQQQSA-N 459.531 4.672 10 40 JJCB CC(C)n1ncc2c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc(C3CC3)nc21 9463282 WMKWPWGMFRDTSZ-QFIPXVFZSA-N 461.610 4.777 10 40 JJCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1 101178636 UDSSIJUPXWYCDQ-GMQQQROESA-N 456.498 4.788 10 40 JJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 225951722 OCFVUXCEEWUWEY-UHFFFAOYSA-N 479.698 4.544 10 40 JJCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 9215739 JTSBVYHRDGBGKZ-OKSBFYSISA-N 458.653 4.629 10 40 JJCB CCn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1cccs1 9509503 WFAUXGFDECCZIU-UHFFFAOYSA-N 474.567 4.533 10 40 JJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 12412772 ZCAKEHCEAIODEQ-BOPFTXTBSA-N 450.834 4.803 10 40 JJCB COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccccc2O)cc1OC 19325983 QMSQMZBUJZMJQD-UHFFFAOYSA-N 478.589 4.833 10 40 JJCB CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)sc2c1CCCC2 28296845 ONGOUACPCXGENT-XNTDXEJSSA-N 492.669 4.705 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 59109595 DMIBCZPCOULVRV-UHFFFAOYSA-N 490.541 4.587 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CN(C)Cc2ccccc2)c2ccccc12 101366251 AASCVVRBCAYONM-CPVAOEHFSA-N 478.596 4.940 10 40 JJCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1cccc2ccccc12 104123990 AJQQUMFFWDHJIC-ZPKNHPDFSA-N 493.570 4.777 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)cc1 106757646 VPUDQPVSPOVMRB-JCMHNJIXSA-N 467.591 4.542 10 40 JJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnnn1-c1ccc(C(F)(F)F)cc1 108221990 IZUSFRKDPNYMAT-UHFFFAOYSA-N 488.495 4.628 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Cl 223267692 JSKSLFKOPJVFFI-PKTZIBPZSA-N 454.043 4.677 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)nc1 223504861 GVLBFOQDCOTOFB-LOSJGSFVSA-N 454.603 4.760 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 408743722 UPIYSJWKZAOSPE-IWIPYMOSSA-N 485.540 4.671 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408776687 PNTVJMHJURMLEO-CIAFOILYSA-N 491.931 4.509 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1 408803209 MMADJYPPGHHXBH-DEDYPNTBSA-N 462.889 4.594 10 40 JJCB CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 409052770 AIAMPNAASHTDGQ-GZTJUZNOSA-N 463.317 4.847 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409239935 OQYFIPCQXYAYPM-UCQKPKSFSA-N 476.964 4.841 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(I)c3)SC2=S)cc1 409342356 DMZIPMBTQNKYAQ-OQLLNIDSSA-N 453.326 4.711 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4nc(C)cc4C)cc3)c2C)cc1 2664775 OIQRRPKYDVJZHI-UHFFFAOYSA-N 457.530 4.945 10 40 JJCB COc1ccc(Cc2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)o2)cc1 9469392 KCXGTRARQHQXBV-UHFFFAOYSA-N 491.569 4.823 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 33532722 BWVTYZQIVSUXNB-JYHUHERQSA-N 484.541 4.978 10 40 JJCB COC(=O)C[C@@H](c1cccc2cccnc12)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221870 GKEXISDGJQECEO-SFHVURJKSA-N 483.476 4.820 10 40 JJCB biogenic COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223692129 VZRIQBKSKFCIAS-DQEYMECFSA-N 462.619 4.642 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257217197 CXYZMPJRTTZGDU-NRFANRHFSA-N 459.590 4.565 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408600512 CGCSIVMITAETOQ-MHWRWJLKSA-N 472.240 4.828 10 40 JJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 408725545 KBRQZMNMILSTOI-MOSHPQCFSA-N 478.957 4.759 10 40 JJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 408814623 VWAIRBKZCCNCJY-FYJGNVAPSA-N 462.889 4.599 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4cccc5cccnc45)o3)C2=O)cc1 408991057 MNMWJDQUHFRYHI-XMHGGMMESA-N 455.495 4.954 10 40 JJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 409016192 DUYSPTSBNKXGEB-UNOMPAQXSA-N 456.336 4.952 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 409208125 BDSPZVVDEODLBB-LFVJCYFKSA-N 453.498 4.597 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 13546721 ANBFFJZVFMKHAJ-WJDWOHSUSA-N 497.916 4.657 10 40 JJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59135363 UVAWYXMFTZPOPY-UDWIEESQSA-N 461.449 4.747 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223559316 PADXJVUSOABOBU-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 408802629 ZPDJNZBFXWOPKU-WOJGMQOQSA-N 456.926 4.811 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 408990682 YBUWDJYTJXGIMK-HAHDFKILSA-N 470.525 4.811 10 40 JJCB Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)c1 1301024 HSLDQFAYUIANNU-UNOMPAQXSA-N 465.625 4.882 10 40 JJCB aggregator COc1cc(OC)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 4092660 OGPMCINVRTWXHQ-SANMLTNESA-N 491.588 4.810 10 40 JJCB O=C(NN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2)SC1=S)c1ccccc1 9187003 LPHYWPMBCXAUOS-OQKWZONESA-N 476.579 4.691 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 12534777 HGBMSSUVMFBIMX-UHFFFAOYSA-N 487.585 4.829 10 40 JJCB CCCN1C(=O)/C(=C\c2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 25759630 PSFXOQUHABBYGI-NISQSXRWSA-N 464.616 4.787 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)N(c3ccccc3)C2=O)cc1 59139055 UCIBDZJAALRSCB-QGOAFFKASA-N 451.276 4.934 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1 408741083 NTMVTQORPMYZLM-PXLXIMEGSA-N 456.498 4.639 10 40 JJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 409192364 BGUVKNOEAPOPRJ-GZTJUZNOSA-N 484.942 4.614 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409248325 POTCBWFFBIGPLG-XDHOZWIPSA-N 492.919 4.939 10 40 JJCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 6298255 RYMZRUHHNUXYBO-ZHZULCJRSA-N 462.889 4.594 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1O 9233128 BSELLKGHXKAATE-OQLLNIDSSA-N 483.352 4.720 10 40 JJCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCCc1ccccc1 16689037 TVYHBNQZBUPPPW-ULJHMMPZSA-N 456.542 4.785 10 40 JJCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 101111369 SJMOHJFCZHUNAC-HBMCJLEFSA-N 492.314 4.689 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NCc4ccccc4)cc3)SC2=S)cc1 408573232 JHDXBPLEMOIBQU-HAHDFKILSA-N 490.606 4.796 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(Cc2cc(C)cc(C)c2)c1 408872582 GTDHBEJFJWRBCN-PCLIKHOPSA-N 454.526 4.878 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccccc1C(=O)O 409211477 NXGRTWGNYCENGN-MTJSOVHGSA-N 493.516 4.606 10 40 JJCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)COc2ccccc2)cc1 9288897 SMDUCKYMSDPZFG-UHFFFAOYSA-N 456.550 4.518 10 40 JJCB CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 9329076 SNOWNHBSHLINQR-UHFFFAOYSA-N 451.397 4.548 10 40 JJCB biogenic COc1ccc(N[C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccc(N(C)C)cc2)cc1 16364040 IEFIWIHGRXVRCP-QHCPKHFHSA-N 471.557 4.745 10 40 JJCB Cc1cc(C)c2c(c1)S[C@H](NC(=O)CN1C(=O)/C(=C\c3ccccc3Cl)SC1=S)N2 28296988 ZJNVFRKISTXNJI-RIMDVYMRSA-N 476.048 4.776 10 40 JJCB CCOc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1Br 107553556 ANIPYMVGPSXODW-XFFZJAGNSA-N 451.205 4.831 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621433 BSDMNAZVISSKBK-XZOQPEGZSA-N 455.027 4.806 10 40 JJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 225230026 BTTPXTSCJMKFDR-KAYWLYCHSA-N 497.624 4.943 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCCC1 408572752 IBBCQEPVHQGQHS-MOSHPQCFSA-N 489.018 4.756 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1ccccc1F 408869408 CZQWHQWQOVPEFE-HYARGMPZSA-N 458.489 4.790 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cccc(F)c1 408878324 AIUYILHTHDHWLD-LDADJPATSA-N 480.879 4.733 10 40 JJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409063394 BCUXENPFOLJVMR-XKYMITNMSA-N 477.380 4.763 10 40 JJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1 8819006 SLHRKNNHAFUFOX-KNGGAZFVSA-N 465.552 4.852 10 40 JJCB COc1cc(-c2cc(=O)c3c(CN(C)Cc4ccccc4)c(O)ccc3o2)cc(OC)c1OC 8927007 HKYLUQHIADCRGS-UHFFFAOYSA-N 461.514 4.823 10 40 JJCB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCN(c3ccccc3)CC2)cc1 16914599 QVZREEWJHMSBCF-AREMUKBSSA-N 463.025 4.699 10 40 JJCB Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 27020858 KOJVXNSENOIJJK-MOSHPQCFSA-N 488.594 4.609 10 40 JJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 96190223 YSNOEZYZGUQINB-SFQUDFHCSA-N 450.903 4.634 10 40 JJCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100512855 SJMOHJFCZHUNAC-PCCBWWKXSA-N 492.314 4.689 10 40 JJCB CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1 102731762 ALABFLUHXVUNGN-DSNGMDLFSA-N 458.514 4.622 10 40 JJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 408534928 RTLODVUEXAMPDN-MYYYXRDXSA-N 464.525 4.818 10 40 JJCB O=C(O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 2989822 ILHDOYQHYOYQNO-MOSHPQCFSA-N 460.417 4.610 10 40 JJCB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1 9790328 YAVDXNPATUBKPO-UHFFFAOYSA-N 477.542 4.899 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccc(OC)cc2)N2CCOCC2)c1O 20412147 QTNDSMLVNDGMIC-QHCPKHFHSA-N 492.597 4.923 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1 21270617 PLHGAONYRLDPNY-JCMHNJIXSA-N 476.579 4.820 10 40 JJCB Cc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1 41108425 NZQDZJICEMLIBZ-FTNSYOLJSA-N 475.599 4.799 10 40 JJCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)ccc3OCC)C2=O)cc1 59860533 ZAFFCECEHQPDPJ-SFQUDFHCSA-N 459.296 4.753 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223224480 JOUBCGUTXDBIGG-CLJLJLNGSA-N 461.679 4.976 10 40 JJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224860 TVGVSWYXVLUCEU-IZZNHLLZSA-N 461.679 4.976 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1 223267904 CFGYSZCZHLOMNR-DHIUTWEWSA-N 454.043 4.677 10 40 JJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408938596 LDMNURRLICYVEO-LFVJCYFKSA-N 492.487 4.783 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccccc2Cl)c1 408938675 RBWKKKGIADSUDX-QGOAFFKASA-N 450.853 4.725 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1OCC 409058638 UKLWRADBPOUFGO-ZHZULCJRSA-N 481.545 4.769 10 40 JJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 409127710 JMFIZPSHWLCTFS-OEAKJJBVSA-N 486.597 4.501 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c1 409244040 WQDAWFQWZLGNJY-HZHRSRAPSA-N 472.614 4.608 10 40 JJCB Cc1cccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1 409244904 KFNOXXVNVYOUFT-HAHDFKILSA-N 469.541 4.968 10 40 JJCB CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 409271854 DDYPDZFFSPXJGE-CIAFOILYSA-N 498.561 4.515 10 40 JJCB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2ccccc2)c1C 9885619 YZNWNKOTZAURHS-UHFFFAOYSA-N 465.623 4.583 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)c2C)cc1F 13059008 FDVBYACMNVIWBC-UHFFFAOYSA-N 493.560 4.607 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)S1 408552505 JBQKLZFIQUJQSJ-REZTVBANSA-N 498.775 4.771 10 40 JJCB CCN1C(=O)[C@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 409142986 SRLQVLVXYZMXOX-KRWDZBQOSA-N 454.386 4.959 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409235321 OSPWEIKRZYRSQL-HMAPJEAMSA-N 465.575 4.669 10 40 JJCB COc1ccc(CCN2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1OC 2403602 ZPYXPXCEHYHXGE-XQNSMLJCSA-N 487.556 4.965 10 40 JJCB CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)s1 8819202 KGJWRGJBAGVNGI-SSZFMOIBSA-N 476.649 4.509 10 40 JJCB COc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C1=O 102761217 YRJJLAGRSUMRBJ-JAXLGGSGSA-N 485.323 4.759 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(=O)O 223538614 DXNQYVFOKQNNPJ-DQEYMECFSA-N 483.597 4.755 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408589058 YFHZKSYFWKJUTA-YBEGLDIGSA-N 477.698 4.888 10 40 JJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 408940305 NTEQEASKINRORR-YBFXNURJSA-N 495.850 4.633 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)c1 409242254 WJGPLKILFMQCQF-FYJGNVAPSA-N 488.569 4.759 10 40 JJCB O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 409352615 XFSBGXJYYNCTGH-ODLFYWEKSA-N 451.485 4.520 10 40 JJCB COCCN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524730428 IXIDQRIDUYJOEL-JYFHCDHNSA-N 476.617 4.879 10 40 JJCB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1Cl 9075803 VSKTUIXTWCIEOZ-WJDWOHSUSA-N 457.269 4.928 10 40 JJCB COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)ccc1O 9216776 FRBALMWQEZQDLO-XMMPIXPASA-N 455.558 4.937 10 40 JJCB Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 9730820 UAHAJYGCUCYWAZ-ULJHMMPZSA-N 465.509 4.695 10 40 JJCB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13669526 ARGIKIPRNIUEKC-UHFFFAOYSA-N 498.048 4.836 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59136182 ZJIKIMPHTHJYHH-QGOAFFKASA-N 477.517 4.691 10 40 JJCB CCOc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 103563519 ZRKCGDXFQOGYBZ-VTEYKYBYSA-N 463.515 4.560 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O 408585724 HQAHNQKFLDLFMN-SXGWCWSVSA-N 462.727 4.994 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1Cl 409336758 QGNFCEIHPXYIGZ-YBEGLDIGSA-N 485.279 4.926 10 40 JJCB CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 9444729 BRPYFCPFCQZPKM-GXDHUFHOSA-N 467.041 4.620 10 40 JJCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)C1 13618962 NIWDLKDUEOIFOW-WLNXHHGHSA-N 482.675 4.711 10 40 JJCB N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 13799940 FWGBCFYXCXJXDK-VHDUERLVSA-N 487.562 4.759 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc(F)c1 14132748 UINRUTMXWFSEDH-KGENOOAVSA-N 474.488 4.778 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 33352688 KFZCZJOMZNSNQO-LFIBNONCSA-N 450.447 4.764 10 40 JJCB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)cc1 35387818 MMASLQRYCVUYDO-ODLFYWEKSA-N 496.350 4.781 10 40 JJCB O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 38167607 DDZMVXUWRKMTAW-YHYXMXQVSA-N 456.079 4.968 10 40 JJCB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 95276476 XKMUAMYCBDLYSN-JWGURIENSA-N 476.558 4.523 10 40 JJCB Cn1c(=O)c(C(=O)C[C@H](Nc2cccnc2)c2c(O)ccc3ccccc23)c(O)c2ccccc21 104827499 JLFVKWQRTVODAJ-NRFANRHFSA-N 465.509 4.924 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 108249100 JDMPDAJWRNOWBP-RQZCQDPDSA-N 458.301 4.656 10 40 JJCB Cc1cc(I)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O 113831092 JPQGLANZSJKZAP-OQLLNIDSSA-N 467.353 4.707 10 40 JJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 208307815 PJRWIOMBVDXYEQ-COYFKBPASA-N 451.567 4.769 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222944226 QYVNIMIHAXRQRE-RPWUZVMVSA-N 462.619 4.904 10 40 JJCB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 225717877 XIQMIKBZILCJDX-UHFFFAOYSA-N 452.557 4.676 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)NC2=S)c1 408758525 LTZSRAULSBWDCI-BUVRLJJBSA-N 473.598 4.887 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(C)cc1 408808156 FHGBWYMLJQBQQK-HYARGMPZSA-N 470.525 4.866 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)cc1 409232607 RRQMZSLPFMVNJV-KGENOOAVSA-N 451.567 4.771 10 40 JJCB COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 1106622 GHIWNJPUVYUGIO-NDENLUEZSA-N 497.320 4.637 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1 8817353 CQJBMPXHOXABAC-IKQNTSMISA-N 473.558 4.758 10 40 JJCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)N1CCN(C)CC1)c(O)c1ccccc12 22810518 HELOJCCLWWZENT-DEOSSOPVSA-N 459.546 4.509 10 40 JJCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)N=C1O 33420285 JCLJFOCQHKZXOC-JCMHNJIXSA-N 486.480 4.869 10 40 JJCB COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C(=O)O)CC4)c(O)ccc3c2=O)c1 94993348 SQICMLNUKNFBKB-UHFFFAOYSA-N 493.434 4.615 10 40 JJCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C1=O 100901414 HSDWLWOJDSTNLY-BDTNDASRSA-N 479.330 4.514 10 40 JJCB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C1=O 102741672 HSDWLWOJDSTNLY-YPAWHYETSA-N 479.330 4.514 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(C(=O)O)cc1 223499577 MWLOXQQGBMJEPE-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c1 408743613 WIDGKIVDHQBWCO-CPNJWEJPSA-N 452.919 4.830 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 408902881 MVNSKMKMBCKUCY-OQLLNIDSSA-N 493.741 4.566 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OCC(=O)O 409341325 BFTOJCCZOHXYOM-CHHVJCJISA-N 470.355 4.871 10 40 JJCB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 409341907 ALXGVYFOFRJXRY-LICLKQGHSA-N 478.389 4.715 10 40 JJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 654480 HKTIBXCXDAULSH-ONUIUJJFSA-N 496.563 4.885 10 40 JJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2700939 WCTKFJMLDONRNI-YLRSXTQRSA-N 477.991 4.992 10 40 JJCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1NS(=O)(=O)c1ccccc1 10112140 HTEJETFWQXVJNR-UHFFFAOYSA-N 463.603 4.716 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1 13569737 FCRFHXPEPNKGJB-UUYOSTAYSA-N 472.501 4.594 10 40 JJCB COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c3ccccc3n2)cc1 40156923 WZNLPJKEWUBRIZ-QFIPXVFZSA-N 494.595 4.542 10 40 JJCB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(F)cc1 59135651 RMEGPWSENJDTHP-XDHOZWIPSA-N 460.417 4.640 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccccc1C(=O)O 59136180 CBZHKHRVZTZPBQ-SFQUDFHCSA-N 463.490 4.603 10 40 JJCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 101481050 JJIYRXZFRCGGNL-YTFSRNRJSA-N 485.923 4.652 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 108948278 SRHZKJNKMCFSFA-HYARGMPZSA-N 490.556 4.807 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 408962194 XDHVGEVMMHNIMU-JCMHNJIXSA-N 465.575 4.669 10 40 JJCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1 409064880 QOCPGKNCEGCHMF-UNOMPAQXSA-N 459.930 4.754 10 40 JJCB CC(C)Cn1c(-c2ccc(F)cc2)cnc1SCc1nnc2n(C)c(=O)c3ccccc3n12 12604125 WHZFYPJWSIJWHL-UHFFFAOYSA-N 462.554 4.532 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc(OC)c1OC 33714965 RVCFDIWGFDWUFS-GFFRJOGCSA-N 456.568 4.692 10 40 JJCB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1Br 59104906 XZCOMHJCCLGCIP-LFYBBSHMSA-N 493.697 4.737 10 40 JJCB O=C1N=C(O)/C(=C\c2cc(Br)cc(Br)c2O)C(=O)N1c1ccc(F)cc1 59106199 OXLBSFVFWRQFHE-WUXMJOGZSA-N 484.075 4.563 10 40 JJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(N(C)C)cc1 59135869 QINFMDGTJAUGEN-XSFVSMFZSA-N 462.550 4.971 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 223060437 NUQQQTOINAWTCL-RPWUZVMVSA-N 478.618 4.505 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223717044 WFWKBNJAQYENGO-ZEQRLZLVSA-N 499.036 4.774 10 40 JJCB COC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 408526981 DOWPTNWOGVWUGG-LFVJCYFKSA-N 499.567 4.520 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c(Cl)c1 409146393 RTBVFMSHIUBGIK-OQLLNIDSSA-N 467.797 4.957 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S 409338307 HNVUUPMABHTTRN-CHHVJCJISA-N 484.433 4.692 10 40 JJCB O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2ccc(Br)cc2)C1=O 1891495 LJRAXLJORVRKBQ-BUHFOSPRSA-N 496.205 4.940 10 40 JJCB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9283699 LYECTVAWXSLWIN-DHZHZOJOSA-N 479.410 4.676 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)S1 9553877 RCFLAVSPXPPICD-MFOYZWKCSA-N 465.756 4.788 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 13786042 QSFTYEOKTSWASR-FTNSYOLJSA-N 464.547 4.572 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)ccc1O 14406742 KXWJTWNSAUXXRY-SXGWCWSVSA-N 493.151 4.794 10 40 JJCB COc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 33623036 MHPHXJSCBZGODN-OMNSNBSWSA-N 471.600 4.533 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(F)(F)F)c1 223604657 XHTLUHNQSIRUOP-YADHBBJMSA-N 474.552 4.863 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260925540 VKVHJZSUCLZBPZ-DHIUTWEWSA-N 485.053 4.902 10 40 JJCB Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408797126 BJBAFYQIDPHKES-FYJGNVAPSA-N 462.889 4.599 10 40 JJCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Br)cc1 408959817 GGTSSGIAOGXQKV-UYRXBGFRSA-N 486.391 4.724 10 40 JJCB COc1ccc(N2CCN(C(=O)c3nc(SCc4ccc(C)cc4)ncc3Cl)CC2)cc1 8846222 XMWJWNJHFGNEAP-UHFFFAOYSA-N 469.010 4.702 10 40 JJCB O=C(CN1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1)Nc1ccccc1C(F)(F)F 22791567 WTWJOXYFWDZIKF-UHFFFAOYSA-N 477.914 4.974 10 40 JJCB O=C1/C(=C/c2ccccc2OCc2ccc3c(c2)OCO3)C(O)=NC(=S)N1c1ccccc1F 59136430 FEHLXPJUYLIKJS-SFQUDFHCSA-N 476.485 4.805 10 40 JJCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cccc([N+](=O)[O-])c1 100525419 AUYJNLARXIKFAM-BFQBXFRASA-N 451.424 4.502 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Br)c1 223268636 MHCLETPHLGCGRL-DHIUTWEWSA-N 498.494 4.786 10 40 JJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223609235 COYOUHCEOMLWLZ-RYFGYPJOSA-N 489.572 4.891 10 40 JJCB Cc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O 260815171 UANYPDOTGJSOMX-RBBKRZOGSA-N 471.667 4.655 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409245060 MVUKMDDYADTETR-YBFXNURJSA-N 478.892 4.631 10 40 JJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 409272098 ONOLBHNLHATKGV-IWIPYMOSSA-N 497.551 4.604 10 40 JJCB Cc1cccnc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524650 QMIQTPJZHVAPIQ-HHHXNRCGSA-N 465.557 4.520 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 9209417 NTRAUECPVFOOHM-VHQQXNKGSA-N 460.950 4.810 10 40 JJCB Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCO2 13145450 KVLCYTFOJQXVHB-UHFFFAOYSA-N 462.527 4.791 10 40 JJCB Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(C)C3=O)c2C)ccc1I 98086288 DTNFJAJCKDAISN-CXUHLZMHSA-N 468.385 4.838 10 40 JJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223468234 LMEIXKOBNJSCDD-BJKOFHAPSA-N 454.603 4.760 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 257204682 AVWSFNLOJSEVCJ-NRFANRHFSA-N 459.590 4.565 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)ccc4Cl)c3C)C2=O)c1 408784198 UMPXPBRAGXZCFO-RGVLZGJSSA-N 491.931 4.729 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1F 408867551 LHRSQBYJZXAFPY-UDWIEESQSA-N 479.851 4.645 10 40 JJCB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 933455 HCSDXWSGSUOJRG-UHFFFAOYSA-N 466.519 4.920 10 40 JJCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(CS(=O)(=O)c3ccccc3)cc(O)n2n1 1403928 CIHTUTVTBYWMLX-UHFFFAOYSA-N 464.572 4.545 10 40 JJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 35042999 WWPUUDQSKCOWHL-JCMHNJIXSA-N 478.505 4.786 10 40 JJCB COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 35848350 JNIJLEPTRJTOKD-SMIHKQSGSA-N 469.924 4.946 10 40 JJCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085913 ZYMZTYKCAWOQMD-UHFFFAOYSA-N 472.408 4.640 10 40 JJCB Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 102862064 JUCJQPXQYLYHBW-SGNDLWITSA-N 461.949 4.766 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)cc1 108983174 MIABBTKGRRPOCR-HYARGMPZSA-N 488.569 4.704 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223518091 FRGOCRNZTHPTOI-DQEYMECFSA-N 455.587 4.757 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223722436 GMHYEFVIPUSTFW-RPWUZVMVSA-N 466.582 4.554 10 40 JJCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1nc2cc(Cl)c(Cl)cc2s1 408536873 BPGGLZSYJVAYIT-JLHYYAGUSA-N 483.336 5.335 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 408867010 HVKDETBCJYZBEZ-ZHZULCJRSA-N 493.382 4.859 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S 409091076 SYFCDTRYRGJTPX-UNOMPAQXSA-N 494.960 4.795 10 40 JJCB Cc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409203210 WVMDJNAUHLDAHZ-UDWIEESQSA-N 451.573 4.748 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1Cl 409248231 GZQDTTRTCYLZCO-BOPFTXTBSA-N 467.890 4.648 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1 409375253 HVYDMFDLAHDPFP-PCLIKHOPSA-N 497.551 4.550 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)NC1=S 3662837 PCHVREAHXQEPGX-YVLHZVERSA-N 479.371 4.643 10 40 JJCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1 14357261 SSOXYUOBOLTDDH-CQSZACIVSA-N 473.432 4.614 10 40 JJCB COc1ccc(N2CCN(Cc3c(O)ccc4c(=O)c(-c5ccccc5OC)coc34)CC2)cc1 32501381 UJWNYNSVQAKYMK-UHFFFAOYSA-N 472.541 4.505 10 40 JJCB biogenic CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 103918584 HIYQWVAAERYAEJ-STZFKDTASA-N 454.483 4.509 10 40 JJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)n1-c1ccccc1 225518139 KPOWPFUCBNZMMY-CLJLJLNGSA-N 467.598 4.792 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S 409066844 MNUTWCIIFUOGSO-LFIBNONCSA-N 467.890 4.648 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NCCOC)c12 409140711 RZJDMSUWIXFDJN-JCMHNJIXSA-N 499.702 4.748 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 409187653 SWKFBKAZMCTDPW-HZHRSRAPSA-N 459.571 4.633 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)c(OC)c1 409233265 ULSONVANUHXZAG-KGENOOAVSA-N 474.538 4.830 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 409246035 CYDHVTBQPWVYLR-RGVLZGJSSA-N 480.473 4.767 10 40 JJCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)c(Br)c1 409252582 STCISBLUTXKYLB-GZTJUZNOSA-N 469.266 4.823 10 40 JJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 9136578 CZNMAGHCLHGNPP-ODLFYWEKSA-N 489.391 4.842 10 40 JJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 9264825 GJLGYSHAYROSIX-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 10113224 XNWUTWNFQVSCNS-UHFFFAOYSA-N 490.069 4.825 10 40 JJCB CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 15931122 NUYVNXJCIRFFIF-WQRHYEAKSA-N 487.350 4.596 10 40 JJCB CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(c2ccccc2)C1=O 59138906 VFXKAFIIRTZCGH-SFQUDFHCSA-N 451.822 4.517 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223543725 MTKHMNMHRXNFTQ-JWQCQUIFSA-N 454.603 4.760 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223692564 MDTFKFOKYAAQGK-NOZRDPDXSA-N 462.619 4.642 10 40 JJCB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)N(C)C(CO)=C2O)[C@H]1/C=C/C=C/C[C@@H](C)O 514288288 AWQOATNHYGPPIM-GUAGOYPPSA-N 457.611 4.551 10 40 JJCB biogenic,in-vitro O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 408692026 BRGRCQYTPBTTBR-GZTJUZNOSA-N 487.325 4.572 10 40 JJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 408908862 DOTOYGQNMPMSNY-GZTJUZNOSA-N 455.239 4.515 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 1203632 NFUFOSAWMFIGLT-FRKPEAEDSA-N 454.356 4.858 10 40 JJCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 1882200 ZKXMUMCYMNDQBD-WXUZMHMZSA-N 468.564 4.641 10 40 JJCB CCCCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9424846 DCVFTFDHGWHGCR-DEOSSOPVSA-N 472.651 4.541 10 40 JJCB COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1 12350148 ULPBZRWUXKZVSS-RNJGGXIZSA-N 478.574 4.818 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccccc1 15932084 IPMSAVAYZIAJRC-UCQKPKSFSA-N 499.523 4.607 10 40 JJCB COc1cc(/C=C2/SC(N)=NC2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 16195100 DBUASEYFPRXPGY-REZTVBANSA-N 491.407 4.509 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc2ccccc12 223613987 UZQGUPFKDBGASL-CLJLJLNGSA-N 456.615 4.997 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408692715 SQERMFVTEOPSHO-WOJGMQOQSA-N 487.325 4.572 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl 408771488 IIEXARUCYFIIRL-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409075577 SAGGHRUIOUSUEH-VQGSWFTOSA-N 481.343 4.594 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(C)c1 409122703 BAAMPSIWVDDDCW-LDADJPATSA-N 461.499 4.611 10 40 JJCB COc1ccc(CN2C(=O)[C@@H](Cc3c(OC)ccc4ccc(OC)cc34)SC2=S)cc1 409143907 WSXSGFNFQRXANT-JOCHJYFZSA-N 453.585 4.837 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2314210 AVXRTGOAHPJHTN-HMAPJEAMSA-N 489.915 4.629 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2387276 VKIYARWMKJEVTH-MHWRWJLKSA-N 471.252 4.618 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S 9263208 LMOQGIAEVJQTJY-UNOMPAQXSA-N 465.962 4.593 10 40 JJCB Cc1cccc(N(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 13669197 CQTHGOVYZILXBU-UHFFFAOYSA-N 491.657 4.882 10 40 JJCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccccc2S(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 21232400 UXWVMIXEZLQXKH-MRXNPFEDSA-N 491.512 4.527 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 41078506 CJYONJHBIOTLBN-PUHYCJLASA-N 481.936 4.874 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(=O)O)c1 223499263 HMVVLUFXVVCWEW-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1Br 408801718 BERLUYLNRSYSKR-LFIBNONCSA-N 457.324 4.521 10 40 JJCB Cc1c(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 408902394 IJYONBAKMUBRBG-XDHOZWIPSA-N 482.309 4.662 10 40 JJCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccc(Br)c1 409199749 JQLYPLMEYDRNLL-LDADJPATSA-N 461.406 4.692 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 409328784 AZVADKGUZJZJKP-ZDLGFXPLSA-N 496.478 4.657 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 9310353 GAKFKIMLKHQMJT-DEDYPNTBSA-N 492.915 4.603 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)S1 13894062 CASPRWQRDBHTRV-MFOYZWKCSA-N 465.756 4.788 10 40 JJCB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(O)c(Br)c2O)N3)C1 17086071 LTHSJUQMUMNPNL-WDDATRMLSA-N 488.201 4.663 10 40 JJCB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 17113547 WOFUUGASROODHL-LJAQVGFWSA-N 486.660 4.833 10 40 JJCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 18009027 RYIRWLSHRZQQGU-QKDODKLFSA-N 463.537 4.957 10 40 JJCB CCc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18181761 YTKROFSERJIPEH-XPWALMASSA-N 485.923 4.598 10 40 JJCB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 103114339 VXMPYVYCBDZFPG-AQTBWJFISA-N 462.497 4.707 10 40 JJCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc21 208242901 HOYWKVLACMFYKP-BVTUPMQUSA-N 455.917 4.868 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(C(=O)O)cc1 223539046 XYQDDBOIENDCGU-LOSJGSFVSA-N 483.597 4.755 10 40 JJCB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956903 UHUKHCRACBLMTP-IRXDYDNUSA-N 459.063 4.699 10 40 JJCB COc1ccc2c3c(n(CCCc4nc5ccccc5[nH]4)c(=O)c2c1OC)-c1ccccc1C3=O 604404377 MJQJJTJMDGCICZ-UHFFFAOYSA-N 465.509 4.739 10 40 JJCB biogenic CCN(CC)c1ccc([C@@H]2N(C(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 1436951 AZATWOHXMFQLHX-AREMUKBSSA-N 477.630 4.687 10 40 JJCB Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1ccc(OC(F)F)cc1 3338473 VMVXOEJJCHZSIW-UHFFFAOYSA-N 467.424 4.842 10 40 JJCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 9259905 HZCPWHGLUJNKHS-BUVRLJJBSA-N 492.535 4.563 10 40 JJCB COC(=O)c1c(C)oc2cc(Br)c3oc(=O)c(-c4nc5ccccc5[nH]4)cc3c12 11867645 WBTYIDDZPXHVCV-UHFFFAOYSA-N 453.248 4.940 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2OC)SC1=S 15008805 WUZCMMZCQSYRPZ-IZZDOVSWSA-N 451.205 4.831 10 40 JJCB O=C(C1=CN(c2ccc(C(F)(F)F)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 49003880 MTQHIEODBNCBHB-UHFFFAOYSA-N 456.873 4.748 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12 409149828 RUUAUDJTJDUUKC-WOJGMQOQSA-N 477.879 4.737 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC 409344583 HGBVFQCEKCDFTJ-NVNXTCNLSA-N 481.349 4.780 10 40 JJCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 8495643 RXBSNOLLKOANFS-KYTOZCRMSA-N 466.522 4.768 10 40 JJCB COc1ccc(N2CCN(C(=O)c3sc(NC(=O)Nc4cccc(Cl)c4)nc3C)CC2)cc1 8771713 YKJJNBVCWABYRG-UHFFFAOYSA-N 485.997 4.720 10 40 JJCB O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(O)=NC(=S)N1c1ccccc1F 16450256 WXKKMFMHHAYTLH-UYRXBGFRSA-N 477.473 4.985 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 26965658 PMEPCZYVNJEKKK-NBOCOGBRSA-N 477.611 4.928 10 40 JJCB O=C1C[C@H](c2ccc(O)c(Cl)c2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115031 LZPZNFZWCPSHGY-CYBMUJFWSA-N 450.830 4.671 10 40 JJCB biogenic CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 100977563 RYIRWLSHRZQQGU-PVHODMMVSA-N 463.537 4.957 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223517933 FRGOCRNZTHPTOI-JWQCQUIFSA-N 455.587 4.757 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 225518350 DQJOIXVPPMVDER-RRPNLBNLSA-N 497.624 4.801 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC 408803575 QSDIIZUZKKWRFW-WUXMJOGZSA-N 469.708 4.721 10 40 JJCB CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S 409012169 JINPPWCRWCJTJZ-XDJHFCHBSA-N 457.983 4.877 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)NC2=S)cc1 409377857 LPDOZLINXIHKSE-LFVJCYFKSA-N 456.567 4.968 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1Cc1ccccc1 9500510 AUHBAFICYWKJJI-BDPOZWGGSA-N 457.534 4.960 10 40 JJCB Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c(C)c1 16994253 YTKRCHVIDBVJOY-MHZLTWQESA-N 477.674 4.756 10 40 JJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1O 408878513 ABNOWNAIDUPJDI-UHFFFAOYSA-N 464.930 4.803 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1 408903328 XHDPXERILLJSPB-NTUHNPAUSA-N 483.103 4.565 10 40 JJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12 3670844 OTJCSTWDXSNLTE-WJDWOHSUSA-N 470.710 4.835 10 40 JJCB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12590970 HHRCBBJLFJHENH-UHFFFAOYSA-N 477.944 4.814 10 40 JJCB Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccc(-n4c(C)ccc4C)cc3)[nH]c(=O)c2c1C 40158056 KTEPAGKSDSQSFS-GOSISDBHSA-N 480.659 4.947 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408782842 KDRWMGARCPYROV-HYARGMPZSA-N 491.931 4.591 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)ccc4Cl)c3C)C2=O)cc1C 408858971 VCYJVMXALJOAEK-RGVLZGJSSA-N 491.931 4.729 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 8819527 ZJXXNLRRTJDZRB-ZHZULCJRSA-N 468.600 4.710 10 40 JJCB COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 8964933 BMMKMPWNYNLITI-PVHODMMVSA-N 479.532 4.726 10 40 JJCB biogenic CCOc1ccccc1[C@H]1[C@H](C(=O)OC)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O 9282783 JJWOTPKKGPXUFC-UODIDJSMSA-N 479.532 4.692 10 40 JJCB CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 16805624 FXPAQVKUNMCVAK-SMEDBKPVSA-N 494.642 4.623 10 40 JJCB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 100953470 MAUORQKITLUXHE-GSDHBNRESA-N 471.557 4.593 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102748731 SRPBONRGTZUWMR-TWJOJJKGSA-N 455.558 4.892 10 40 JJCB C[C@H]1CCc2nc3sc(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)c(N)c3cc2C1 215744265 CZFQGEMDDKFQCU-HNNXBMFYSA-N 464.591 4.857 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OC(C)C)C1=O 408800319 LXBBHACCHLIJPE-CXUHLZMHSA-N 477.742 4.865 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 408801296 UWPQBOJJWBEMKR-OEAKJJBVSA-N 474.488 4.642 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(Cc2ccccc2F)c1 408873223 OWXNOWGZJPXJBT-XMHGGMMESA-N 464.880 4.745 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 408932479 CHJFLYUVLMLMEQ-XSFVSMFZSA-N 485.487 4.726 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C 408961221 LKIGDXULKGXGDQ-DEDYPNTBSA-N 464.319 4.523 10 40 JJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N(c2ccccc2)C1=S 409023153 SRLGVVGLLZBQAK-HMMYKYKNSA-N 460.511 4.599 10 40 JJCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 409128855 UMQYXFZSEXRUNB-NHDPSOOVSA-N 452.557 4.670 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC1=S 409129741 LZXJZZAABVQPOX-STZFKDTASA-N 456.564 4.707 10 40 JJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)cc1 409341990 CPEHDLBOWOWTGT-HYARGMPZSA-N 494.569 4.960 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 3864864 HSIVKMXEXJHVID-ZHZULCJRSA-N 484.599 4.794 10 40 JJCB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)Cn1ncc2ccccc2c1=O 40145560 DGQWMKLRYHRGOQ-JOCHJYFZSA-N 480.490 4.708 10 40 JJCB CCN1c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223540953 WCDUIPBQMYDDKC-JHDSZEHQSA-N 480.996 4.984 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223692177 VZRIQBKSKFCIAS-RPBOFIJWSA-N 462.619 4.642 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 408537028 UKFOICQWHUZLDP-PXLXIMEGSA-N 484.508 4.588 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409221667 UODLYIZNQPTFHE-UCQKPKSFSA-N 479.602 4.977 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)NC1=S 2127684 ZFRGXPPHYMIPQO-XDHOZWIPSA-N 493.972 4.585 10 40 JJCB CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9359293 XUOZERGVPRVBBE-SDHSZQHLSA-N 482.467 4.756 10 40 JJCB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 9562048 GJLBRWBZKOFZBL-UHFFFAOYSA-N 468.292 4.873 10 40 JJCB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 32957865 GZBGJQIHFDLROB-UHFFFAOYSA-N 491.499 4.719 10 40 JJCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 35043960 CZZSDVPCKLTNAL-JLPGSUDCSA-N 499.523 4.762 10 40 JJCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccccc3Br)C2=O)c1 59104846 KJXBBSGLTYNSDX-RVDMUPIBSA-N 459.296 4.753 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Br)cc1 223617678 IUKURTSFJYWFFV-FGZHOGPDSA-N 485.451 4.607 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 223694338 BCVQJRDBABBSLX-ZEQRLZLVSA-N 499.036 4.687 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 225518288 DQJOIXVPPMVDER-KAYWLYCHSA-N 497.624 4.801 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c1 409221522 RMEMZIZAIASGAX-GZTJUZNOSA-N 480.929 4.746 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)cc(Cl)c1 1314551 KJQFKRXRKQUOFD-FMQZQXMHSA-N 481.382 4.952 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 12419522 UQLYWSDUMHKLLF-SFQUDFHCSA-N 452.869 4.528 10 40 JJCB COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1C 20205503 SUBBPFONSABIHX-HRIUQOHOSA-N 452.561 4.522 10 40 JJCB C[C@@H]1CCc2nc3sc(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)c(N)c3cc2C1 215744220 CZFQGEMDDKFQCU-OAHLLOKOSA-N 464.591 4.857 10 40 JJCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O 408723290 STIJHECHVMSXKE-LFIBNONCSA-N 457.338 4.987 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 408984613 JHYJXIOVXSKDJY-MTJSOVHGSA-N 491.931 4.509 10 40 JJCB O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2418324 RDUVWTFQUMZLIG-LDADJPATSA-N 469.975 4.869 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8451884 SISAINPNXKETAI-UVTDQMKNSA-N 487.320 4.783 10 40 JJCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(OC(F)(F)F)cc1)c2[N+](=O)[O-] 8955732 VJNYXHOUBUFIMR-UHFFFAOYSA-N 456.332 4.521 10 40 JJCB CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9009876 MTFIUQRMLGDFCN-UBFVSLLYSA-N 455.460 4.987 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 41078500 DBNWTYGMJUBOOX-QPUILPENSA-N 481.936 4.874 10 40 JJCB CCCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 95630007 RMIKWGWBLWYHJM-GSDHBNRESA-N 471.557 4.593 10 40 JJCB COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220932 ZRESDDGKBKRJFQ-SFHVURJKSA-N 486.476 4.700 10 40 JJCB biogenic CC(C)c1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96221751 TXYIYMDLHNBBRU-INIZCTEOSA-N 474.465 4.847 10 40 JJCB biogenic COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c(OC(C)C)c1 408833557 TXXJBMRJKSYCCO-NVNXTCNLSA-N 482.842 4.821 10 40 JJCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1 408968381 YHDRNWUWPVHSMR-GZTJUZNOSA-N 498.919 4.665 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 409153763 MODHFJKYNKEHEA-CPNJWEJPSA-N 488.407 4.970 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccccc1 8439153 OTDUIQIFHBAXNW-YBFXNURJSA-N 482.901 4.973 10 40 JJCB Cc1ccc(OCCOCCOc2ccccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 41083329 GLHVUWBJJYFFNG-ZLLSNJOHSA-N 492.601 4.745 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1 58849914 BXTFZWMSXRQQKP-YZUZCNPQSA-N 490.537 4.710 10 40 JJCB O=C1/C(=C\c2cc(Br)cc(Cl)c2O)C(O)=NC(=S)N1c1ccccc1F 59135816 CXMWYCSBFZNQKG-POHAHGRESA-N 455.692 4.619 10 40 JJCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 100415196 KQGICYUEUPZPEJ-QHAWAJNXSA-N 492.314 4.689 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)C1=O 408533284 JUJUREXXXCKEEX-RGEXLXHISA-N 460.873 4.534 10 40 JJCB CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408539709 YDGFKDOYSOVAHT-HMMYKYKNSA-N 456.926 4.974 10 40 JJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408780134 SYSNHKRPLSYMBL-WYRWUVFZSA-N 490.600 4.662 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 408982572 HYXMDGGQQIHBMQ-PDGQHHTCSA-N 464.861 4.527 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c1 409350316 RJVIDEDXINFFTM-ZDLGFXPLSA-N 469.471 4.888 10 40 JJCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(/N=N/c3c(O)ccc4ccccc34)ccc2c1 4804158 ODOJGWXYQYRBNB-QURGRASLSA-N 458.473 4.607 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9191961 GREBXVMVBZDSSY-RGXDOQKYSA-N 473.533 4.931 10 40 JJCB COc1ccc(N2CCN(C(=O)CCc3cc4c(-c5ccccc5)cc(=O)oc4cc3OC)CC2)cc1 12321071 OQXHAYDAWMNZSZ-UHFFFAOYSA-N 498.579 4.759 10 40 JJCB biogenic Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 13546597 ZTUXWDNFOFFXIZ-YVNNLAQVSA-N 477.498 4.968 10 40 JJCB CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 16730357 KNYSFJIGEBZJHR-DQRAZIAOSA-N 479.627 4.660 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C2=O)cc1 208513325 UTTGYODJBMBIEL-PXLXIMEGSA-N 459.546 4.774 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1 408768620 HXMMOGNCTPNKIU-LDADJPATSA-N 498.377 4.827 10 40 JJCB Cc1cc(C(=O)CSCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1 2656125 GEQKIYFLDXZMHF-UHFFFAOYSA-N 452.963 4.960 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1-c1ccc(OC(F)F)cc1 3283496 FKIRUKFARRQFLQ-UHFFFAOYSA-N 469.517 4.861 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3I)SC2=S)cc1 9310580 USJLOYBJZWGMRD-XNTDXEJSSA-N 453.326 4.706 10 40 JJCB COc1ccc(CCN2COc3ccc4c5c(oc4c3C2)C(=O)c2ccccc2C5=O)cc1OC 21670320 KXOFUAPXYGSWQH-UHFFFAOYSA-N 469.493 4.620 10 40 JJCB biogenic CCOc1cc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)ccc1O 38181616 GQDXOWRJRFIUBD-STZFKDTASA-N 458.470 4.877 10 40 JJCB COC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)=NC1=O 51330486 WMJBPIRHGNRHCD-CVCWACNBSA-N 457.555 4.969 10 40 JJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 408854940 BKUXSXRAMUQUNM-RVDMUPIBSA-N 478.401 4.680 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c(C)c1 409142243 XAYCTOJCSNTGHU-XDHOZWIPSA-N 461.499 4.611 10 40 JJCB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(N)cc3)n2-c2ccccc2)c1 930588 QDUBKXFOKZCOKN-GOSISDBHSA-N 459.575 4.856 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 9158800 OFRCXQABTLQAOO-ADKREUBMSA-N 470.558 4.555 10 40 JJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)c1ccco1 13025018 LAAPSSPPHFISIE-RUZDIDTESA-N 493.629 4.620 10 40 JJCB C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@H](C)O1 27016942 QHQORVMTQKBEOZ-JUFXSQMOSA-N 462.550 4.758 10 40 JJCB O=C1C[C@H](c2cccc3cccnc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96222453 DKYHDVPTDHJQSM-MRXNPFEDSA-N 467.433 4.566 10 40 JJCB biogenic CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223652543 XTPWIWXKMWTJQZ-PKTZIBPZSA-N 469.010 4.678 10 40 JJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 408600537 CSAICQIATLZOAZ-YBEGLDIGSA-N 472.240 4.828 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408693951 CQPSWFJTRRUCBS-HZHRSRAPSA-N 485.496 4.731 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 408694751 MIDAIESQXZJHSE-LDADJPATSA-N 487.325 4.572 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)c1 408774508 PAUUXYFHXLNJMM-LPYMAVHISA-N 472.501 4.594 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)c(OC)c1 409246055 DFDWTHFAWVKNFG-HMAPJEAMSA-N 499.498 4.512 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c1 9264465 ZSZKMFOQMZPJMR-FYJGNVAPSA-N 487.581 4.549 10 40 JJCB COc1ccccc1NC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 12635296 YGPKWKCHUCWJLD-UHFFFAOYSA-N 496.567 4.724 10 40 JJCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl 13668751 RMROPVGGZNPWBL-UHFFFAOYSA-N 498.476 4.846 10 40 JJCB COc1ccc(N[C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccc(N(C)C)cc2)cc1 16364042 IEFIWIHGRXVRCP-HSZRJFAPSA-N 471.557 4.745 10 40 JJCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 33528238 VZCKHACPVHHGFV-UDWIEESQSA-N 452.869 4.528 10 40 JJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59139517 REPCRQFPTBLIEF-UHFFFAOYSA-N 499.803 4.833 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C 223651226 IHVYPIIEISDOPR-JWQCQUIFSA-N 462.619 4.587 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 408740812 MVJKXBUMTIAEKD-BUVRLJJBSA-N 457.530 4.776 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408802767 HEFFLGLGWHYCND-UDWIEESQSA-N 450.853 4.725 10 40 JJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1C 408816491 UVRHJTMQQMPMST-CIAFOILYSA-N 476.916 4.908 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)OC 409350329 XMQSUCLGZGOXMV-VXLYETTFSA-N 493.990 4.705 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc2ccccc12 409374246 ZUUNWRZQFLDKDX-OEAKJJBVSA-N 482.492 4.682 10 40 JJCB Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C)c(Cl)c1 642769 JCQRBELDPDWQRA-UHFFFAOYSA-N 450.969 4.558 10 40 JJCB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 9193137 OCCPHNJDUKZSOB-KCPWWPQBSA-N 461.469 4.674 10 40 JJCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 12630087 XMFIEJPNIHDSFR-ULJHMMPZSA-N 491.588 4.846 10 40 JJCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 100553090 KVOFLQAVZKNDBL-HKBOAZHASA-N 492.314 4.689 10 40 JJCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Br)ccc4O)[C@@H]3C2=O)c1 100899065 IRMJANOKFATPBX-BDTNDASRSA-N 479.330 4.514 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 223679368 ITSIKJAAHAAXNW-GOTSBHOMSA-N 485.053 4.902 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 408578554 YROHVBLZXPHKRN-HAHDFKILSA-N 490.606 4.796 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408864930 AOVIWGMQOJKFRH-BOPFTXTBSA-N 495.850 4.633 10 40 JJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 409102960 UWXYATFKAXWFLJ-XNTDXEJSSA-N 485.279 4.926 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1Cl 409338882 QDSYASUFSIUMOI-GHXNOFRVSA-N 477.732 4.952 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409371961 NEIANMYHLNTUGZ-CXUHLZMHSA-N 467.403 4.997 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2204156 SHGKQQCAUKGBFJ-BOPFTXTBSA-N 471.991 4.997 10 40 JJCB COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccc(OC)cc5)CC4)c([N+](=O)[O-])c3)n2)cc1 8586912 AZSIBHCGSHAMMU-UHFFFAOYSA-N 487.516 4.656 10 40 JJCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 9293375 NFFNSIRXZHJTGG-PWSGBSGUSA-N 474.502 4.571 10 40 JJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(Oc3ccccc3F)nc12 26962563 IPXQMPCOMUFGMP-XDHOZWIPSA-N 493.541 4.929 10 40 JJCB O=C(O)CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S 32124638 KRLLXBRPGNEGQL-OVCLIPMQSA-N 466.949 4.685 10 40 JJCB COc1ccccc1NC(=O)CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N/c2ccc(Cl)cc2)C1=O 102959410 LGWYBQFNPXEUSO-RVGLIBJPSA-N 489.919 4.603 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 408932941 FVLXAECIKVOBBP-JAIQZWGSSA-N 480.908 4.757 10 40 JJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 409096916 KZWQSZQVWRBIRJ-XNTDXEJSSA-N 479.783 4.641 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)O 409332857 SEWHHTUBDVXGOF-GIJQJNRQSA-N 479.963 4.617 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)N1CCCC1 409345983 LZYKKRYHGXXHLU-PXLXIMEGSA-N 498.626 4.501 10 40 JJCB CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)s1 8819889 YWADKCMYCFVVPS-SSZFMOIBSA-N 476.649 4.509 10 40 JJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 8917719 SJCPTYCZFADVBB-QKDODKLFSA-N 479.532 4.726 10 40 JJCB biogenic CC(=O)Oc1cccc2c1N1[C@H](C(C)=O)[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 9087347 FONIOBIYPHOURF-TWJOJJKGSA-N 495.506 4.773 10 40 JJCB CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)SC1=S 12558355 RAMRCQHVIVKWRQ-DEDYPNTBSA-N 459.552 4.867 10 40 JJCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1 18181098 UHDIDDINXMOJFI-ZNZIZOMTSA-N 487.511 4.843 10 40 JJCB COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl 32099414 YSKDISQJNFZHST-BOPFTXTBSA-N 471.296 4.810 10 40 JJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102710738 RYIRWLSHRZQQGU-ZONZVBGPSA-N 463.537 4.957 10 40 JJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223056957 SATVMWDXNXCMEA-JWQCQUIFSA-N 463.651 4.564 10 40 JJCB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1C 260837145 DSGGOIIXGBVRPL-HSZRJFAPSA-N 485.694 4.963 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)OC(C)C 408600782 GCESUKAOIPWULT-VXLYETTFSA-N 461.536 4.571 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1 408804888 ZVOKROXUBRPLSK-KGENOOAVSA-N 476.916 4.984 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 408887402 NWNITXRXZBNOLE-ZHZULCJRSA-N 474.488 4.642 10 40 JJCB CCCCn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccc(OC)c(OC)c1 8628241 RQVLBBFHABTNLJ-UHFFFAOYSA-N 453.608 4.818 10 40 JJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 20210181 ZEUOPEVPMZWJPU-BOPFTXTBSA-N 466.837 4.554 10 40 JJCB CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl 26967232 LTBTVDPLYUMVHW-LMRWQKIVSA-N 467.827 4.509 10 40 JJCB CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 34836423 ISEUCGQEWYZCTH-CDCQXCROSA-N 494.183 4.850 10 40 JJCB CC1CCN(C2=NN3C(=N)/C(=C/c4cccn4CCOc4ccc(Cl)cc4)C(=O)N=C3S2)CC1 41084581 HLVCXZPCURJBBE-WLDZVJDWSA-N 497.024 4.529 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(=O)O)c1 223348200 OMCORUQGRFEBEN-RPWUZVMVSA-N 472.570 4.953 10 40 JJCB COc1ccc(NC(=O)N/C=C2\C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)cc1 408533934 UBNXIOYCINVFNU-BOPFTXTBSA-N 457.328 4.503 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408893948 HEAGSUBCVDZXBI-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409237300 JJCDRAXWKFZHCI-BOPFTXTBSA-N 487.415 4.705 10 40 JJCB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409344411 JJSMVFJSMLESHW-YBEGLDIGSA-N 470.410 4.535 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1Cl 9425265 MCNUDUJFRYNHTF-JAIQZWGSSA-N 451.885 4.861 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@@H](c2ccco2)N2CCOCC2)c1O 20412154 CEWPRQWXEUBGMC-HXUWFJFHSA-N 452.532 4.508 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1F 41078352 BWYSVESSRNPIKA-QQODKDOTSA-N 486.297 4.626 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc(Cl)c1OC 59861304 CIXNTBIAFUFITC-NTUHNPAUSA-N 479.714 4.935 10 40 JJCB COc1ccccc1NC[C@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 101352295 ZNRSYRVKMKUKES-AJPHYDNBSA-N 480.568 4.929 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 225481309 HBLLLVFSFNGESC-YADHBBJMSA-N 483.678 4.509 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(Cc2ccccc2F)c1 408882177 LNDAHWAQIDUECJ-PXLXIMEGSA-N 458.489 4.708 10 40 JJCB Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c(C)n1-c1ccccc1 9872102 ZAJWWYVTWRJCLJ-DKUDOZJNSA-N 482.584 4.552 10 40 JJCB COc1cc2c(cc1NCC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCCCO3)oc1ccccc12 12523521 FXRRVYVEUNMUKP-UHFFFAOYSA-N 463.446 4.715 10 40 JJCB CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22418737 LSOXARZZVRELGC-MHZLTWQESA-N 487.648 4.836 10 40 JJCB COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1 226069857 SFGZZUFFYQCPGT-SANMLTNESA-N 498.708 4.988 10 40 JJCB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(C)=O 260790553 DABQVYOGTWXAOW-IRXDYDNUSA-N 461.653 4.643 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccncc1 409334209 VDVKMUUAFPFSFI-BKUYFWCQSA-N 479.539 4.983 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(F)cc1 9030115 UCGYYUJGVDHGDC-WJDWOHSUSA-N 465.369 4.818 10 40 JJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 9281051 PIQKWJGWAOGIRH-PDGQHHTCSA-N 451.573 4.713 10 40 JJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O 9438782 HIAOTRJVQZHDIR-OIXOFKMYSA-N 452.557 4.561 10 40 JJCB COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 16000991 HKUBMCTXJHKQJC-NXCFDTQHSA-N 467.496 4.857 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br 16576063 UXYAUTRWDUVSMA-WLUJYDQBSA-N 487.394 4.524 10 40 JJCB CCCN1C(=O)/C(=C\c2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 25759627 PSFXOQUHABBYGI-TWQQJCIXSA-N 464.616 4.787 10 40 JJCB O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1ccc(Cl)cc1 27015598 KSCSVSNGVQMGLE-IZILLXMLSA-N 459.976 4.939 10 40 JJCB CCCc1nn2c(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 41074330 LMYCDMPLNVFKPA-HCQBZFMKSA-N 463.592 4.748 10 40 JJCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 54360655 UVWYRBBHVDXGPV-OCKHKDLRSA-N 473.982 4.521 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1 222815836 UDBWDFGVNKXQPX-CLJLJLNGSA-N 475.662 4.707 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 223350599 ZAFRICYIWHCTQR-RPBOFIJWSA-N 472.570 4.984 10 40 JJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 408536303 WAELHGNNOSEGGV-KQWNVCNZSA-N 460.559 4.823 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cccc(C)c2)c1 408799702 HPZCRCGYKWJROP-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 409231477 JHEOFHHFNSWQOS-DEDYPNTBSA-N 491.525 4.818 10 40 JJCB CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8819530 UBXIXZJGBWVGPZ-HKWRFOASSA-N 468.600 4.656 10 40 JJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N=C(O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 13810161 WBWCGUYIZBLOIX-IWIPYMOSSA-N 485.540 4.758 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)CC 38206534 KNEZPCRKGVWUFY-JTMDUIFQSA-N 486.615 4.817 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275233 PHZHVEVHIRAHGX-AHWVRZQESA-N 461.679 4.894 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 223541308 BWACSDAARKAJRP-IZZNHLLZSA-N 483.597 4.786 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(C)c1 408800190 NODQSIUMAXLKOX-HYARGMPZSA-N 470.525 4.866 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408951143 LTQQTUBXQOCBQP-ZROIWOOFSA-N 471.252 4.649 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cc(Br)cc(I)c2O)SC1=S 409046458 KGZXWHCEQBCAHY-WCIBSUBMSA-N 498.205 4.617 10 40 JJCB CC(C)n1cccc1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524240 GUZCETMCXKRQOT-LJAQVGFWSA-N 495.627 4.877 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2415005 MFJYFOBFYFWYDI-PGMHBOJBSA-N 490.654 4.649 10 40 JJCB CC[C@@H](C)C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 8686860 UMHWCORTPWZKGU-GFCCVEGCSA-N 491.656 4.934 10 40 JJCB aggregator COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 9260384 AGKHHWLJJIPFDP-HYARGMPZSA-N 472.566 4.722 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(Br)cc4)cc3)C(=O)N=C2S1 9301538 YUBMLVPOTCFOQR-PCHQCWAOSA-N 499.390 4.936 10 40 JJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 10113243 NYHKZCAAJZXUEE-UHFFFAOYSA-N 490.069 4.825 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 41076363 QVNSIRHUHRLSLD-WPTKKBASSA-N 478.534 4.594 10 40 JJCB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 95945150 BMPDKBBAAAWUNT-RUZDIDTESA-N 479.602 4.618 10 40 JJCB COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222486 FSUBBWCUFHNODK-MRXNPFEDSA-N 498.434 4.873 10 40 JJCB biogenic CCOc1c(Br)cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC 409198852 FYHWTPJCXAYGLH-MHWRWJLKSA-N 467.410 4.812 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c1 409212777 QKKTYFIEGDKDIB-XKZIYDEJSA-N 489.553 4.776 10 40 JJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc(F)c1 2818142 OSPVJJFVWGYGKL-VCHYOVAHSA-N 493.354 4.672 10 40 JJCB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 20972479 NJFAOYQLNPLSPR-UHFFFAOYSA-N 475.545 4.667 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223692606 MDTFKFOKYAAQGK-UKILVPOCSA-N 462.619 4.642 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 260562431 AAFRYSVCEKLRQL-FEMWLQECSA-N 461.562 4.782 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc(C)cc2)c1 408804928 HJCUPYHSTAFSOQ-LPYMAVHISA-N 476.916 4.902 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 408935163 HARGEAZXHMEIQA-CPNJWEJPSA-N 495.304 4.834 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)C1=O 409045749 HKYLLPOUETZRBZ-UYRXBGFRSA-N 490.899 4.592 10 40 JJCB CCOc1cc(OCC)c(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 409139640 CBPANKVVJKSKSE-SFHVURJKSA-N 481.437 4.613 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409249650 VBLCJVOFTQQKGM-HMAPJEAMSA-N 479.602 4.977 10 40 JJCB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 9444793 FBYDDSQSTCBIST-HMMYKYKNSA-N 468.600 4.792 10 40 JJCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 15012284 NMPBZOVYNFAYDU-UYRXBGFRSA-N 481.371 4.832 10 40 JJCB COc1cc(Br)c(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 21963632 MHUPUKKXWWRHPJ-UHFFFAOYSA-N 461.400 4.658 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408692195 GUYRJTZLKFOJDH-YBFXNURJSA-N 486.927 4.861 10 40 JJCB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C4/NC(=O)NC4=O)c3C)sc3c2CCCC3)cc1 408844520 DLHJJIJAGIOFAU-DEDYPNTBSA-N 474.586 4.775 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)NC3CCCCC3)c12 409125330 DWRJJYHSNDTRCV-STZFKDTASA-N 485.675 4.500 10 40 JJCB COCCN1C(=O)[C@H](Cc2cc(Br)ccc2OCc2ccccc2F)SC1=S 409147353 WTBYEMBAAJGPAD-SFHVURJKSA-N 484.412 4.585 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCCOCCOc3ccccc3C)c(OC)c2)SC1=S 13943102 ZJFNXNZLYXANTC-JWGURIENSA-N 473.616 4.699 10 40 JJCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccc(F)cc12 62825023 ZMWXYRSRVVPNIH-DJKKODMXSA-N 473.982 4.521 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102693051 JXQVHMLNHIEVKH-HBMCJLEFSA-N 455.297 4.750 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223658784 OJYRKTDUSDMAIN-ZEQRLZLVSA-N 483.037 4.987 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 408694733 MACPYHKZJXCXMG-HZHRSRAPSA-N 484.508 4.521 10 40 JJCB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 408872640 IAIWQDLIDLHJOX-OEAKJJBVSA-N 476.916 4.984 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408881274 KPAVMGWFAIILMT-JLPGSUDCSA-N 486.499 4.720 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 408889798 JFFYCSBDGXGCPF-UDWIEESQSA-N 480.879 4.733 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1 409221406 PWJJLBUGZXAYMK-LPYMAVHISA-N 479.533 4.917 10 40 JJCB CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 9318130 OPTTYIAPNZWUPA-FXBPSFAMSA-N 492.670 4.683 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 10232932 KLHAEWGHECWVNN-JCMHNJIXSA-N 479.627 4.517 10 40 JJCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 23402583 SXSHLCDGENRXEA-MHWRWJLKSA-N 477.782 4.988 10 40 JJCB Cc1ccc2nc(Sc3ccc(/C=C4/C(=O)N(c5ccc6c(c5)OCO6)C(=O)N=C4O)o3)[nH]c2c1 59104360 UFLKWPMRZYIWIY-XNTDXEJSSA-N 488.481 4.851 10 40 JJCB O=C(COC(=O)c1ccccc1/N=N/c1ccc(O)cc1)Nc1cccc(N2CCCC2=O)c1 102850738 DHRUPFLIVLHFNN-BYYHNAKLSA-N 458.474 4.730 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1 408888674 YSKZAOFPGQMPGM-FYJGNVAPSA-N 480.879 4.733 10 40 JJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2c1 409104431 ZPLDIVKXTSMPDY-LDADJPATSA-N 466.946 4.650 10 40 JJCB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2c(C)ccc2C)cc1 3446992 NTXOHNVSEQBYAO-UHFFFAOYSA-N 457.530 4.977 10 40 JJCB Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 9720769 GTUZRWFZWNEVSV-BKUYFWCQSA-N 474.900 4.842 10 40 JJCB C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Cl)cc1Cl 12622822 JGKFZNBWSNVZAO-LBPRGKRZSA-N 468.292 4.953 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2C)cc1 13674788 ZOIFECIKBWEMAK-UHFFFAOYSA-N 463.603 4.634 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)S1 32111791 XOROQPDFHNVWDG-RQZCQDPDSA-N 465.756 4.788 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1 33742249 LPLNIZNZUOTLPG-YVLHZVERSA-N 484.295 4.942 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccccc3I)SC2=S)cc1 108604788 USJLOYBJZWGMRD-GDNBJRDFSA-N 453.326 4.706 10 40 JJCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)nc1 225509745 IWVXFZOLCPUTRO-SVBPBHIXSA-N 496.640 4.804 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C)cc1 408800230 OAIYMRMLAMSOLD-HZHRSRAPSA-N 470.525 4.948 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408882515 QKGNUEDVMIGRIA-UNOMPAQXSA-N 466.921 4.889 10 40 JJCB COCCN1C(=O)[C@@H](Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)SC1=S 409142130 BKQMXTASXRTNHP-GOSISDBHSA-N 486.442 4.999 10 40 JJCB CCN(Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O)C(=O)N1CCN(C)CC1 1583638 BIKCXBLIECXBNY-UHFFFAOYSA-N 453.974 4.527 10 40 JJCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)cc1 2986538 LFHNFYBDIWQXLG-LQDCEUOMSA-N 498.564 4.820 10 40 JJCB CC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(C)=O)c4)C3=O)SC2=S)c1 8870053 WKZCFALXQHONNL-ISLYRVAYSA-N 498.632 4.733 10 40 JJCB CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 9444727 QKVHMFSOQVCDDY-SDNWHVSQSA-N 467.041 4.764 10 40 JJCB Cc1cc(C(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccc1F 9512141 IFWDJDNLBZKOPX-UHFFFAOYSA-N 477.536 4.903 10 40 JJCB Cc1ccccc1C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 32109369 WSYCYEOTIYTKPW-LSZLNTRYSA-N 456.483 4.621 10 40 JJCB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c3c(C)noc3n2)cc1 36617485 VGPXUTOGJOWTJW-QGZVFWFLSA-N 472.545 4.534 10 40 JJCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 41083004 VCQVWHGCZUQCGZ-FTNSYOLJSA-N 493.545 4.718 10 40 JJCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c(C)c1 223273181 MZPHMQCIJLTOEI-AZGAKELHSA-N 461.679 4.949 10 40 JJCB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)O)o1 408632111 ZTFFJUSXUWDULA-IUXPMGMMSA-N 495.342 4.916 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(F)c1 408886733 LSXHLWCAZLBZDL-HYARGMPZSA-N 474.488 4.778 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O)Nc1ccccc1Cl 409248290 PEZCIIQGCUMRCX-YBFXNURJSA-N 459.930 4.754 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9009874 MTFIUQRMLGDFCN-DSNGMDLFSA-N 455.460 4.987 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1cccs1 15012133 LUNICVKVCJQKAG-MDWZMJQESA-N 470.391 4.569 10 40 JJCB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 16915488 ZRXROWRUDJSLTH-UHFFFAOYSA-N 496.544 4.539 10 40 JJCB CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccc(N5CCCC5)cc4)CC3)ncn2)cc1 33312011 UIUZUCYFZLEVFK-UHFFFAOYSA-N 485.632 4.964 10 40 JJCB CCCN(Cc1ccccc1O)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 58245321 PGMCUNOQWKPZSW-UHFFFAOYSA-N 461.587 4.968 10 40 JJCB CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1cccc(OCC)c1O)N2 65298458 VLTYMCONXYVNPT-QHCPKHFHSA-N 465.594 4.880 10 40 JJCB biogenic Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3c(O)c(C(=O)O)cc4ccccc34)cc2)nc(C)n1 104123533 NKTXOTGVPZWTEQ-RQZHXJHFSA-N 477.502 4.867 10 40 JJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)cc2[C@H](C)CC1(C)C 208326795 XTJDRSQOVLTIMF-VYVDHXHBSA-N 491.588 4.791 10 40 JJCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O 408948368 FSYIRVHMJLTQIA-UUYOSTAYSA-N 472.541 4.535 10 40 JJCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 409244418 CJRDDACEXOCCIT-CIAFOILYSA-N 450.336 4.950 10 40 JJCB Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C\NCCc2c[nH]cn2)cc1 8771090 QTBRYJPNTSDJFD-UYRXBGFRSA-N 474.615 4.539 10 40 JJCB CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC 8821335 CBSGCDPYGIGTAO-STZFKDTASA-N 459.589 4.555 10 40 JJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(OCC)c2O)N3)C1 8920776 DNZZBQHWLGKIRP-QGZVFWFLSA-N 496.383 4.558 10 40 JJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O 9109622 QGPFSAWVISDZSY-HAVVHWLPSA-N 451.526 4.614 10 40 JJCB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 9354898 PPYDWJPOFVMIFX-IFVNKLOSSA-N 481.595 4.694 10 40 JJCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)N1CCN(C)CC1)c(O)c1ccccc12 22461337 IZVXKEPDLYIIJT-DEOSSOPVSA-N 459.546 4.509 10 40 JJCB O=C(O)c1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1 26465044 HCBYFPGXSLORAO-QGOAFFKASA-N 460.417 4.610 10 40 JJCB O=S(=O)(c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 27570615 GNZXMZWNKKKIFA-UEXGIBASSA-N 465.402 4.841 10 40 JJCB CCN(CC)c1ccc(/C=C(\Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)O)cc1 408634454 UVGAUEMCHLFOLL-JAIQZWGSSA-N 454.552 4.553 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408694690 LOQNSHWYGUYDQK-SFQUDFHCSA-N 459.329 4.977 10 40 JJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409099372 QTECWGYOSUNQLZ-OPFCKLNOSA-N 453.347 4.999 10 40 JJCB Cc1cc(C(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c(C)n1-c1ccccc1F 1104226 QFDXTJWINOPIJX-UHFFFAOYSA-N 473.533 4.630 10 40 JJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1Br 12556077 GXIMNHAGHMHSBJ-UHFFFAOYSA-N 483.701 4.918 10 40 JJCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 13940085 PLTYMJRPTBTXOG-PXLXIMEGSA-N 473.616 4.665 10 40 JJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)COc3ccc(Br)cc3)c2C)cc1 32910263 NFNCTFZTUIEJAT-UHFFFAOYSA-N 456.336 4.970 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C 33730689 SNYDPDIMCAQINL-WSFLPQJTSA-N 473.533 4.909 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4O)[C@@H]3C2=O)cc1 100517459 MCTZZBJYGKWRPP-FKBYEOEOSA-N 479.330 4.514 10 40 JJCB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1N1CCCC1=O 216434202 UAMRZWQZLZPNQR-UHFFFAOYSA-N 468.962 4.807 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C 223010008 QOKKFRDKDJUDJU-YADHBBJMSA-N 485.451 4.871 10 40 JJCB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c3ccccc32)c1 408996443 DVRJJODHTYWSJG-KGENOOAVSA-N 453.473 4.804 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1O 409143132 UWPVMPXQZLPMCR-SXGWCWSVSA-N 483.398 4.952 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 409212202 QAMKGQZDYDQDRQ-CIAFOILYSA-N 480.927 4.726 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCC1 409361139 QEXBSHWTUIIRNU-JCMHNJIXSA-N 482.627 4.801 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1-c1ccc2c(c1)OCO2 9909743 ILNRDLGHVJJOSJ-UHFFFAOYSA-N 473.558 4.786 10 40 JJCB O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16449849 YVUURMPJESQIFD-MOSHPQCFSA-N 461.405 4.820 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 33595753 GREBXVMVBZDSSY-PHNMUWTHSA-N 473.533 4.931 10 40 JJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1Cc1ccccc1 41077882 RRIYQQBZNVMVIK-HMCBYUHISA-N 457.534 4.960 10 40 JJCB CC(=O)Nc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 100525391 PYWBYXMSMXXQLG-WWDJGNSZSA-N 463.479 4.552 10 40 JJCB Cc1ccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])cc1 107945343 UFMOYEOMLWUJKN-NDENLUEZSA-N 463.877 4.597 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 208244872 FBTJGGYENQHZIY-HIPSJFSSSA-N 484.021 4.902 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1Cl 409025472 VMOWRZKIIPQNGT-MFOYZWKCSA-N 495.782 4.797 10 40 JJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(OCC)c1 409147716 ZYPVOAWTTGNTJO-YBFXNURJSA-N 477.007 4.992 10 40 JJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 646051 PXTFTCGUYHEKPN-RVDMUPIBSA-N 480.958 4.792 10 40 JJCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(Br)cc1 3176947 KTSYOJAPOGDWFA-OQLLNIDSSA-N 450.339 4.628 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc(-c2cccs2)ns1 11917610 XAQUUOSIGOXIPQ-FMIVXFBMSA-N 464.644 4.558 10 40 JJCB CC1CCN(C(=O)C2=CN(c3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)CC1 49003816 VZLRAUTVLWQXHS-UHFFFAOYSA-N 450.482 4.731 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12 59109580 VKVKKDAGIYQGOQ-UHFFFAOYSA-N 482.403 4.609 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1O 223302173 BDHKHDBHDNWPQQ-GLYQVZKVSA-N 483.037 5.000 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2cccc(C)c2)c1 408803447 PASAMQCBYCBJIQ-DEDYPNTBSA-N 476.916 4.902 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409168788 SVVUTCGQVNGPPF-YBFXNURJSA-N 466.881 4.762 10 40 JJCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2381913 NAIVJPFAWYCMGZ-XLXASQRYSA-N 466.496 4.882 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] 13546474 BOIYXTRLTYIFEF-BOPFTXTBSA-N 496.273 4.592 10 40 JJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O 33711245 PUPPWNQXMORTSM-NDENLUEZSA-N 457.502 4.548 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(C)c1 408802289 YAGQCYSTMZSCKH-HZHRSRAPSA-N 486.524 4.648 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccccc2F)C1=O 408894719 IVVJXQKQXOVKCH-STZFKDTASA-N 474.488 4.642 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)NC1=S 409174094 RVSYMUBEPZDDDK-VBKFSLOCSA-N 497.370 4.857 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 409229842 VMHCJJJIHUHONV-PXLXIMEGSA-N 457.530 4.776 10 40 JJCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3cc4ccccc4c(C(=O)O)c3O)cc2)n1 4972349 JZLPUVLJTQAKEQ-OCEACIFDSA-N 463.475 4.558 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 8453149 JINZIJUNQMGUIU-CJLVFECKSA-N 478.932 4.658 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1C 12285096 ZVCOYIFHWPGJRS-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 12733506 WLQHTHXKGVLKJQ-UHFFFAOYSA-N 460.578 4.504 10 40 JJCB COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)C2=O)c(OC)c1 15413021 YYADCUUGJFSYSA-RUZDIDTESA-N 479.964 4.544 10 40 JJCB CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15413107 HXXJADWJLIQDKD-MHZLTWQESA-N 457.574 4.889 10 40 JJCB O=C1Nc2ccccc2/C1=C\c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 20059173 ZSHYBQQROFESHU-YBFXNURJSA-N 450.336 4.519 10 40 JJCB CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCc3ccccc3C2)cc1 35349250 GWDKKZGBTGKJAR-SANMLTNESA-N 464.009 4.701 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 107756422 GIPOLZDWIBNBLE-WGOQTCKBSA-N 495.535 4.928 10 40 JJCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422685 PYRLVMQGZWUMTL-CAOOACKPSA-N 477.449 4.898 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)ccc1Br 408763627 UAHWBXFWODDAMV-NTUHNPAUSA-N 454.107 4.731 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3cccc(F)c3)c(OC)c2)C1=O 408873897 WVOAGELSOYUWBG-JCMHNJIXSA-N 458.489 4.654 10 40 JJCB Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408880285 FYSNSMAGHADFFZ-OEAKJJBVSA-N 460.917 4.920 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409221970 AGLVZQMIDKSTGM-VGSSETLESA-N 478.492 4.723 10 40 JJCB C[C@@H](COc1ccccc1)Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 640714 PULTZXQZKMEWIO-UVPCLOGWSA-N 451.526 4.818 10 40 JJCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)c1 2394373 HLQCJXNPYHGLDL-FYJGNVAPSA-N 459.502 4.926 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCC(Cc2ccccc2)CC1 8820307 OXSRXBIXEBXOCH-HEHNFIMWSA-N 454.617 4.742 10 40 JJCB Cc1ccccc1OCCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 9246939 LKIINTXMYBSXRM-JJIBRWJFSA-N 479.536 4.691 10 40 JJCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1OC 14406730 LROBPHNJMDEELD-WQRHYEAKSA-N 472.335 4.734 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 14922276 YGXDTZBAWIOOJN-HAHDFKILSA-N 496.976 4.868 10 40 JJCB O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S 16401734 MLYJQALAWVQLEE-PXNMLYILSA-N 498.807 4.967 10 40 JJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4SC(C)C)o2)c([N+](=O)[O-])c1 20239038 ANHPGSUXSPURPA-ZSCJGDHMSA-N 471.520 4.582 10 40 JJCB CCc1ccc(/C=C2/SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 33413795 GZLAQIYKGWRGJJ-CIAFOILYSA-N 454.661 4.925 10 40 JJCB COCCn1c(C)cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c1C 33423812 ISBIWNOZODGWKT-GXDHUFHOSA-N 452.363 4.730 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408891741 UNURDRSRGCYYOI-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB O=S(=O)(O)c1cc(/N=N/c2c(O)ccc3ccccc23)cc2c(S(=O)(=O)O)cccc12 4804160 FNSFKCGGKCRLFJ-QURGRASLSA-N 458.473 4.607 10 40 JJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 8821549 OTFGKNXRDXSOQO-HKJBKDEOSA-N 460.533 4.864 10 40 JJCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 9137986 UNVHHUBOSOKFPZ-QVKWDTFWSA-N 453.527 4.636 10 40 JJCB Cc1cc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)ccc1Br 10211844 IHYLZQDIVWHMAB-UHFFFAOYSA-N 469.166 4.911 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1C 14010658 KIPNZLGYCAJEDU-GIJQJNRQSA-N 493.903 4.992 10 40 JJCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1 15162011 ZQMRKDKGGFLAHB-MMKMLUHNSA-N 456.498 4.788 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1cccc(OC)c1 33430266 QOCULIDBDNKUIZ-STZFKDTASA-N 459.589 4.773 10 40 JJCB O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=NC(=S)N1c1ccccc1F 59136429 ZWLXKHMZGVSJHA-QGOAFFKASA-N 477.473 4.985 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2OC)cc1 204987749 QVAQVSWAQIKNEG-XQNSMLJCSA-N 458.514 4.946 10 40 JJCB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)n[nH]1 408633310 XRDYSUMKSPMNNF-XDHOZWIPSA-N 456.955 4.952 10 40 JJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC 408812961 PZVQXKWLLRCTOU-XNTDXEJSSA-N 463.317 4.847 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1ccccc1F 408881897 KXYQXPAFQXPKLS-HYARGMPZSA-N 458.489 4.790 10 40 JJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 409018229 RPDFXRQBBJKGGD-SOFYXZRVSA-N 463.273 4.787 10 40 JJCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cccc1OC 409075433 VLYOVAWUMIXFRP-MLDYKZIASA-N 458.967 4.666 10 40 JJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 409238656 FEWUKMCRDYYRRG-CPNJWEJPSA-N 480.387 4.688 10 40 JJCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 13069618 XVGOYKUONAYKPE-MOSHPQCFSA-N 451.504 4.707 10 40 JJCB COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCc1ccc(F)cc1 13943623 UULLTLWRQULLIC-OVCLIPMQSA-N 454.342 4.665 10 40 JJCB COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 16914041 ZKXGSUNQEASFMQ-NDEPHWFRSA-N 457.618 4.610 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(O)=NC2=S)cc1 34690460 JCOCBHIZLMLJSL-CPNJWEJPSA-N 453.539 4.805 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(=O)O 223462896 RNGVQDPCDLHFHG-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB CCOc1ccc(C(=O)c2coc3ccc(O)c(CN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)c23)cc1 257198714 GZFKKTCWSLXKFK-AZUAARDMSA-N 484.552 4.549 10 40 JJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 257284402 PCOGEWADXKBPQY-NRFANRHFSA-N 459.590 4.565 10 40 JJCB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1 408785160 YGONMCIADDUUMZ-GZTJUZNOSA-N 485.279 4.706 10 40 JJCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc(F)c(Cl)c1 409173457 NNDSUDLDFQATST-ZDLGFXPLSA-N 479.942 4.630 10 40 JJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 409242599 WVEOGNJAYNPSCI-LFVJCYFKSA-N 494.551 4.538 10 40 JJCB O=C1/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2421637 BYNBOJQTMMPJTL-AQTBWJFISA-N 467.547 4.770 10 40 JJCB CC(C)Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccccc2c1=O 9545083 FOZOPDKEHTWTSO-UHFFFAOYSA-N 497.576 4.559 10 40 JJCB COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 16914036 ZKXGSUNQEASFMQ-MUUNZHRXSA-N 457.618 4.610 10 40 JJCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1 20726693 WTSBFCLLCLLTLM-MHZLTWQESA-N 471.557 4.703 10 40 JJCB C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1 26532075 NIWDLKDUEOIFOW-PIMKSVOMSA-N 482.675 4.711 10 40 JJCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N(C)C1=S 59139436 CPHAPWBYFHOISK-UHFFFAOYSA-N 469.777 4.825 10 40 JJCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621394 BSDMNAZVISSKBK-PKTZIBPZSA-N 455.027 4.806 10 40 JJCB O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)NCc1ccccc1 408578376 XVBIKVWFFAZNOW-JCMHNJIXSA-N 460.580 4.788 10 40 JJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1 408755642 RODZMRFICSXNJL-KGENOOAVSA-N 477.314 4.776 10 40 JJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 408873001 QQSUOIBEQYACMO-KGENOOAVSA-N 479.305 4.845 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 408880471 HXPCRJBRRLTHNZ-DEDYPNTBSA-N 495.304 4.834 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccccc1 409346367 KZOUNAAGKGFSBQ-BUVRLJJBSA-N 471.582 4.715 10 40 JJCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 8818958 FCFQEKUGYQSJEK-FBJMNJBLSA-N 478.573 4.571 10 40 JJCB CC(/C=C1\SC(=S)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O)=C\c1ccccc1 8820649 NKUWYXYLLKUSDS-UJUKKVGJSA-N 497.667 4.512 10 40 JJCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1C 9404381 UAUKIHKCGHPTQN-UDWIEESQSA-N 454.573 4.652 10 40 JJCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9424488 XFOGUUWYQGPFRT-HAVVHWLPSA-N 459.615 4.599 10 40 JJCB CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1 101099898 YXFBPOCDYLARAW-DNVJHFABSA-N 485.923 4.598 10 40 JJCB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102170802 MJQICELWPUGOSS-WXFUMESZSA-N 461.949 4.766 10 40 JJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2occ(C)c2C)cc1 104090792 VTBIFCVXKRUQCC-NVWMPKGRSA-N 451.508 4.572 10 40 JJCB O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)NCc1ccccc1 408577839 USCQLHOFJXBEBV-ULJHMMPZSA-N 488.634 4.826 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)c2C)cc1C 408755709 DTSWOPKYOUHVCM-BUVRLJJBSA-N 464.525 4.926 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)c1 408772598 PTHLUZVQSRMFFW-SFQUDFHCSA-N 458.499 4.590 10 40 JJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408936328 FPUJPIJGGQKYDY-PCLIKHOPSA-N 492.487 4.783 10 40 JJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 409011340 GDGQSOKESWBPCX-LUJYGJGBSA-N 469.607 4.928 10 40 JJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409013224 MMCHVWFMXSDAOB-BGARDKSCSA-N 477.380 4.845 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc2oc(=O)ccc2c1 10232914 GUXNMHYNBALXFA-PDGQHHTCSA-N 470.959 4.676 10 40 JJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NC(=O)Nc3cc(C)c(C)cc3Br)C2=O)c(C)c1 16284835 HINOQQXIGAHAQC-GDNBJRDFSA-N 485.338 4.811 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222944821 QDSMATHVHAGLCO-BJKOFHAPSA-N 462.619 4.904 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C 223009735 SAFHGEHAXIXIHP-YADHBBJMSA-N 485.451 4.871 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408810285 IOPDUBTVTGYCPR-WOJGMQOQSA-N 453.926 4.718 10 40 JJCB CCCN1C(=O)/C(=C\c2cc(OCC)c(O)cc2Br)C(=O)N(c2ccccc2)C1=S 409016050 BGNQMXHIADJOFU-LFIBNONCSA-N 489.391 4.507 10 40 JJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1 1163077 YMKQNBZVQLJFLM-UNOMPAQXSA-N 452.919 4.748 10 40 JJCB CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2343918 KXGVPBBMQDBZHR-SILNSSARSA-N 478.643 4.659 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c(OC)c1 8821847 NFCULROPOCKABT-UDWIEESQSA-N 451.460 4.954 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 9679335 IZKUFRQTNOZXGB-KQWNVCNZSA-N 476.554 4.968 10 40 JJCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 16791043 JYAUOZIBVKRFMB-ZHZULCJRSA-N 495.402 4.604 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 17886917 PWQXOIODGMEKMN-HJOGWXRNSA-N 461.949 4.766 10 40 JJCB Cn1c(=O)c(C(=O)C[C@@H](Nc2cccnc2)c2c(O)ccc3ccccc23)c(O)c2ccccc21 104827501 JLFVKWQRTVODAJ-OAQYLSRUSA-N 465.509 4.924 10 40 JJCB CCn1c(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408632530 JLTFZIWHYPQFCK-LPYMAVHISA-N 480.590 4.800 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)cc1 409100614 QSVXYVLHTVDPHW-HYARGMPZSA-N 483.565 4.890 10 40 JJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C 409251850 QNJZUCDQNCCJRK-DEDYPNTBSA-N 469.488 4.944 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)C2=O)cc1 9259902 SGRZYCVHJQLJOH-BUVRLJJBSA-N 492.535 4.563 10 40 JJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 108975350 DZYNRPADOPBEEL-HZHRSRAPSA-N 452.466 4.674 10 40 JJCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 408934201 CYBMWICYZMVBJT-ULJHMMPZSA-N 456.498 4.721 10 40 JJCB COc1cc(OC)c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br 408971271 FDMCPGLHSQMDSW-JYRVWZFOSA-N 455.230 4.815 10 40 JJCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)c(Br)c1O 409043840 FOSIQNSCUXWSRB-YHYXMXQVSA-N 481.231 4.783 10 40 JJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)SC1=S 409128169 DVPCTXLZJSMQTL-CTPANLQCSA-N 455.649 4.900 10 40 JJCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4CC)C3=O)c2C)cc1 409231308 BURXPEKTVJQXAA-PCLIKHOPSA-N 486.572 4.587 10 40 JJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 409253241 ZFWPJJVMTYMWHL-DEDYPNTBSA-N 491.525 4.818 10 40 JJCB CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 8819153 UJMOCTONCNLHSS-HMMYKYKNSA-N 456.589 4.714 10 40 JJCB CC(C)Oc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 9234400 IFRIXCAKNJASQP-KEBDBYFISA-N 456.633 4.923 10 40 JJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1C 15018804 FWMJVQMTFYWHNM-PXLXIMEGSA-N 455.514 4.827 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2Cl)cc1 20110547 RGYPXCHGKJVMFB-UHFFFAOYSA-N 484.021 4.979 10 40 JJCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 20288378 QHFZXEGSRZWJRP-ULJHMMPZSA-N 471.513 4.627 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2cc(-c3ccc(C)c(C)c3)on2)[C@H]2CCS(=O)(=O)C2)cc1 21786423 JCWQEXPWRZCDOY-DEOSSOPVSA-N 495.645 4.634 10 40 JJCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 33457466 AEGFMMXHZWIWST-YBSXWOHVSA-N 459.369 4.878 10 40 JJCB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2ccc(OC)cc2)CC1 72328439 AHHGSPNRUBCANY-UHFFFAOYSA-N 452.986 4.705 10 40 JJCB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 260740974 CGBPDSULPXLJKL-JOCHJYFZSA-N 471.667 4.717 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC(C)C 408802929 JHEJOFNLRRRRNO-LICLKQGHSA-N 456.926 4.809 10 40 JJCB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OCC 408875561 KAMXFIIDHOQEPX-ATVHPVEESA-N 456.926 4.756 10 40 JJCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1Cl 408893508 AVPNJFKXPXWUGZ-GDNBJRDFSA-N 477.742 4.866 10 40 JJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c1 409347844 RMLZVMVLIMPGDD-ODLFYWEKSA-N 465.508 4.744 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 409372032 XUJPTFCIPMNKEJ-PXLXIMEGSA-N 487.537 4.568 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1859943 YPNJJACLKZNXFU-ATVHPVEESA-N 460.602 4.545 10 40 JJCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)c1 41084692 GMFBJGRCCXAIOT-NSDVAZHGSA-N 489.601 4.515 10 40 JJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 408773155 PLTKAPFWCYYALC-SFQUDFHCSA-N 464.861 4.527 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(Cc2cccc(F)c2)ccc2ccccc12 408877899 VGYUPYVBDUVLFP-PCLIKHOPSA-N 466.468 4.942 10 40 JJCB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 409106743 UBSBDSCNFXASTJ-LDADJPATSA-N 457.533 4.545 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 409123754 IMZLEIAXRKWXRA-XSFVSMFZSA-N 474.538 4.571 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OC 409141535 AAGRBTXSPPNYKE-SXGWCWSVSA-N 483.398 4.865 10 40 JJCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 13075866 SZFCQBDGJGFGEX-AHQMPEJBSA-N 466.924 4.819 10 40 JJCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1Cc1ccccc1 18044405 RZOPRTLUUCKVMN-SJBKTWHCSA-N 469.324 4.746 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 223519104 SFHYYYMCUSSXDA-UIOOFZCWSA-N 497.624 4.843 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223688998 QENHIGWGIJROLK-DHIUTWEWSA-N 469.010 4.678 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cccc(Cl)c3Cl)C2=O)c(C)cc1Br 408533013 NUQISQVSNQAXCU-DHZHZOJOSA-N 483.149 4.952 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccccc2)c1 408800982 QUNYYMVFTPCROL-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(C(=O)OC)=C1C 2053955 LLEXDLCCGOWGOG-WQRHYEAKSA-N 463.361 4.720 10 40 JJCB CC(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 9273915 QCVXZSKFQOKCRS-SGNDLWITSA-N 454.913 4.757 10 40 JJCB Cc1ccc(-c2c3c(nc4nc(N5C[C@@H](C)C[C@@H](C)C5)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 13639912 FYKQXFZDIPXLCH-CALCHBBNSA-N 450.542 4.987 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 16001272 MTFIUQRMLGDFCN-CCDWMCETSA-N 455.460 4.987 10 40 JJCB COc1cc(N2N=C(C)/C(=C/Nc3ccc(-n4nc(C)cc4C)c(C(=O)O)c3)C2=O)ccc1Cl 408531759 LMOOCOMCRFMMEA-UNOMPAQXSA-N 479.924 4.568 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 408767928 ALPWNQPDXWAKOK-HYARGMPZSA-N 474.488 4.778 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(C)c1 408771923 LIJJKARNQYGOAQ-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408815590 XFRWMYJQBYBPAG-CPNJWEJPSA-N 450.853 4.725 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccccc2F)c1 408888163 SWDJNFBHQSPZSZ-FYJGNVAPSA-N 474.488 4.697 10 40 JJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408947289 BTTMFPAPYWVJPW-OQLLNIDSSA-N 471.252 4.649 10 40 JJCB COc1ccc2c3c(n(C[C@@H](c4ccccc4)N(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604404555 PNJURNUYEIAFLY-NRFANRHFSA-N 454.526 4.533 10 40 JJCB biogenic O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 13602125 KVOFLQAVZKNDBL-ACRUOGEOSA-N 492.314 4.689 10 40 JJCB biogenic Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 27549237 WSYCYEOTIYTKPW-QDLOHUEYSA-N 456.483 4.621 10 40 JJCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)SC1=S 33665477 CDAVFLLGXDBMLO-BOPFTXTBSA-N 477.405 4.688 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc(C(=O)O)c2)ccc2ccccc12 33705679 UYPCNKADLJPJCJ-JLPGSUDCSA-N 464.477 4.578 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 41082619 FHCJRUWVKKXWRR-JLZYVWBQSA-N 461.518 4.610 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(C(=O)O)cc1 223463388 WKUSTFLBJAZCON-RPBOFIJWSA-N 483.597 4.755 10 40 JJCB COC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2Cc2ccco2)cc1 1328825 HRGIDVMUWSOHKJ-UHFFFAOYSA-N 477.542 4.717 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)cc1 8820103 KZHDJQTWABZXOD-PYCFMQQDSA-N 496.654 4.594 10 40 JJCB N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 101074926 NROGERVTHMITMN-VFHVDCSJSA-N 481.965 4.622 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 223012544 UDWVEFIFOVGCGY-UIOOFZCWSA-N 477.678 4.954 10 40 JJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Br)cc1 1268971 LCTYZGXMNCGCBG-RVDMUPIBSA-N 451.367 4.662 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1 15219945 WGVQNKUHRMAXAZ-QNGOZBTKSA-N 467.367 4.794 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C\c4c(Cl)nn(-c5ccccc5)c4C)C(=O)N=C3S2)cc1 32109364 NYSYTPADBSXBFL-LSZLNTRYSA-N 460.950 4.810 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 33457426 LWEPCGGMLSRVMR-CGQRCSLRSA-N 484.965 4.754 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 225267041 DHVGYYJAAZMCRH-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408526248 BFFBULSPCROAHC-PTNGSMBKSA-N 462.307 4.903 10 40 JJCB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408536718 APZPSGHIOFGAMU-RGEXLXHISA-N 456.926 4.974 10 40 JJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1[N+](=O)[O-] 408772685 HAPYGWITYREPFZ-RGVLZGJSSA-N 478.892 4.631 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c(C)c1 408938087 RQVTWHJAIKNNES-CFRMEGHHSA-N 471.582 4.576 10 40 JJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 409017179 VFMDKBAALAHREB-XDHOZWIPSA-N 461.499 4.611 10 40 JJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1O 16311351 YZRLMINQTJSWTQ-UDWIEESQSA-N 451.324 4.763 10 40 JJCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 27021412 VUENNZHZJKNGAS-DEDYPNTBSA-N 479.583 4.614 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br 33532887 HEBNHJNZPKJORP-WOJGMQOQSA-N 493.379 4.911 10 40 JJCB CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221159 PANGMBJSCNNIEI-OAHLLOKOSA-N 490.464 4.511 10 40 JJCB biogenic C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc21 208242944 HOYWKVLACMFYKP-RKPNYOAGSA-N 455.917 4.868 10 40 JJCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 408834710 WXKBOVLGSYNRBY-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OC(C)C 408897301 ITSFWBJRTFJGIL-OVCLIPMQSA-N 493.741 4.565 10 40 JJCB Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1 409210071 DIZXNFFOJLOHSM-BUVRLJJBSA-N 482.515 4.669 10 40 JJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1 409245397 SEIAFHYSRYUYJA-YDZHTSKRSA-N 457.530 4.590 10 40 JJCB COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)cc1 409350043 WXKMJWBSBIOPLY-CPNJWEJPSA-N 496.591 4.522 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2c1 1407211 CKYGOSNHYVIUNC-RGEXLXHISA-N 464.518 4.608 10 40 JJCB COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc(OC)c1 22419202 WNLXKJBLBAFHRR-MHZLTWQESA-N 474.605 4.691 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223271252 XISKFBREWHZWCN-SVBPBHIXSA-N 490.721 4.869 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408785090 XZMWRCYDZYGFJB-VXLYETTFSA-N 498.322 4.766 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408796107 DQUWPMSCSZRPRF-MHWRWJLKSA-N 463.715 4.558 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(Cl)c1 408802891 IVXJZJRVWCXISI-KGENOOAVSA-N 476.916 4.984 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(Br)c3)C2=O)cc1C 409015732 RZPCPCQDUNDZHN-DEDYPNTBSA-N 464.319 4.523 10 40 JJCB CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409041093 IFWDQUSORJNNNM-LZYBPNLTSA-N 478.288 4.603 10 40 JJCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1cccc(F)c1 409134431 SPRJPCKZEWGURK-HMAPJEAMSA-N 462.502 4.814 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 409345480 ISDMIMZSKAFENN-DEDYPNTBSA-N 451.529 4.859 10 40 JJCB CCCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12 524731185 MWTMOGWXWUTECU-WMZHIEFXSA-N 477.045 4.817 10 40 JJCB biogenic COc1ccc(-c2cc(=O)oc3c(CNC4CCN(Cc5ccccc5)CC4)c(O)ccc23)cc1 13623933 SSIBEQSOHBYJME-UHFFFAOYSA-N 470.569 4.928 10 40 JJCB CCOc1ccc(C2=N/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1OCC 34687621 AEBRWOUUBXACTH-XMHGGMMESA-N 465.506 4.727 10 40 JJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 408692913 YHNGCWGBOVLDRY-GXDHUFHOSA-N 463.715 4.767 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O[C@H](C)CC 408903060 ORAHIXXFHPJDGF-VGSSETLESA-N 460.889 4.722 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccn1 409229281 MNVHYASVTSAGQG-MHWRWJLKSA-N 471.369 4.627 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 8452947 MSMNIUMNGVOCTD-KUYAPCGNSA-N 452.511 4.833 10 40 JJCB COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 8819983 JCVUIWSHWGBVIC-BKUYFWCQSA-N 484.599 4.824 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)[C@@H]1C(C)=O 8918239 WIWMACOIHUNZNJ-GSDHBNRESA-N 477.516 4.634 10 40 JJCB biogenic COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12 9311489 IBFGOGKDEFOKNB-UHFFFAOYSA-N 480.973 4.680 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)ccc1OCc1cccc(F)c1 16214796 PNXGDNYVOWLZQF-NDENLUEZSA-N 491.431 4.828 10 40 JJCB C/C(NC1CC(C)(C)NC(C)(C)C1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20287999 NIQIYXAWCYLHPX-XLNRJJMWSA-N 461.566 4.519 10 40 JJCB CSc1nnc(-c2ccccc2N/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c(O)n1 101013432 OZFBMXRUMUTYOE-ZHZULCJRSA-N 468.542 4.838 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 225583661 WIIYATQZDUSXBQ-UHFFFAOYSA-N 479.646 4.737 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=S 409013453 ACFPHFVLBCENQS-HKWRFOASSA-N 460.511 4.599 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)N3CCCCC3)c12 409148727 QXDJFRBURJXULC-IDCRMVTHSA-N 497.686 4.596 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S)c1ccccc1 409177587 CKHXHTVVFOXKAD-KGENOOAVSA-N 464.543 4.951 10 40 JJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409249618 NQSHIGZAFLCYFP-GXDHUFHOSA-N 487.320 4.783 10 40 JJCB Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O 640854 METCZUXBFMJMPY-KGENOOAVSA-N 463.331 4.798 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\NCCC(c3ccccc3)c3ccccc3)C2=O)c1 2593635 NKPODRVPSMOABD-XIEYBQDHSA-N 453.542 4.582 10 40 JJCB CC(C)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 8450583 YNUXTZYNRBUWGV-NKFJNAIASA-N 457.559 4.995 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 8964945 NSPZWGPIOFEQFR-XMHGGMMESA-N 454.573 4.785 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C 9234589 SNYDPDIMCAQINL-UWLIRHCWSA-N 473.533 4.909 10 40 JJCB COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)CC2)cc1 69950870 WVUKCVWHQNNNQE-UHFFFAOYSA-N 463.603 4.681 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1 408882191 QKAZMCHVKFVDBR-PCLIKHOPSA-N 470.525 4.948 10 40 JJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409099321 LBEVEYSJUTXMNC-MDWZMJQESA-N 455.750 4.877 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC 409224463 KGGNTEIFBXLNPT-OVCLIPMQSA-N 479.385 4.931 10 40 JJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccccc1Cl 409228568 ZIHJQGPERJSQQK-XDHOZWIPSA-N 459.930 4.754 10 40 JJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409230313 BVUVVCOMCFWHLM-BUVRLJJBSA-N 470.573 4.805 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 409404472 CXRUNJJJYFKRGZ-UNOMPAQXSA-N 467.294 4.629 10 40 JJCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 8452948 BKXDHZIOKFSSPS-JTPDXPAISA-N 452.511 4.688 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@@H](C(C)=O)[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 9087346 FONIOBIYPHOURF-ZNZIZOMTSA-N 495.506 4.773 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)C2=O)cc1 408794625 AAOTVSYEVOIOBS-XQNSMLJCSA-N 456.498 4.639 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1 408801128 UBCWVPKDHOBKIY-PXLXIMEGSA-N 476.916 4.984 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 408934594 FFGMRXAHQOIMSR-XDHOZWIPSA-N 483.307 4.944 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2c(C)cccc2C)N[C@@H]1c1ccc(N(C)C)cc1 408990644 OIJUDBJYJXSELQ-XMMPIXPASA-N 480.634 4.579 10 40 JJCB CCOC(=O)c1oc2c(CN3CCCC[C@@H]3C)c(O)ccc2c(=O)c1-c1ccc(OC)cc1 8817577 ZYFMAVKIDAQEPE-INIZCTEOSA-N 451.519 4.725 10 40 JJCB biogenic COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl 9193180 KIFVIROJVKRZSE-AXWKRHODSA-N 490.976 4.819 10 40 JJCB CCOc1cc(/C=C2\C(=O)N(c3cc(C)ccc3C)C(=O)N=C2O)cc(Br)c1O 38168791 QQPBZEDWBSPGTH-ZSOIEALJSA-N 459.296 4.677 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 41074163 HZTNQYVJJVMCRZ-PXLXIMEGSA-N 485.341 4.763 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc1 59135834 XCFQBBUAGGUMHD-GHRIWEEISA-N 464.474 4.934 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc(Cl)ccc3Cl)C2=O)ccc1Br 408530902 MZPWJWZOJNCJAF-XYOKQWHBSA-N 469.122 4.643 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1Cc1cccc(F)c1 408880691 GUSZJTSMZWGUOV-UYRXBGFRSA-N 452.844 4.875 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1C 408959564 BAGRNHGWNYSFNI-IWIPYMOSSA-N 470.573 4.805 10 40 JJCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cccc1OC 409220914 HRWBVUUPQPXODS-MPMPPSQCSA-N 458.967 4.666 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(Br)c2)C1=O 409228727 DGTAJURAEIEUAK-SFQUDFHCSA-N 484.737 4.868 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC 409341292 AUUXSNKDBYXFMK-WOJGMQOQSA-N 477.991 4.692 10 40 JJCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCc4ccccc4)c4ccccc34)[C@H]21 1565524388 LPQCOUQMXKHWNN-LJAQVGFWSA-N 478.596 4.537 10 40 JJCB O=C1C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 16713089 DABKSJXPBRTMGZ-ZRAWKSOBSA-N 488.512 4.795 10 40 JJCB COC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C 44827048 JLXULNYSOWPBID-FOWTUZBSSA-N 455.536 4.517 10 40 JJCB CCOC(=O)c1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003982 IGXUIPJNYPVDEG-UHFFFAOYSA-N 488.993 4.542 10 40 JJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c1 208659047 ZLHIAZLLNRPUTA-BKUYFWCQSA-N 478.346 4.831 10 40 JJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1 223559426 PADXJVUSOABOBU-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c1C 409137027 WCHGTKFPFKZKAQ-FYJGNVAPSA-N 487.581 4.549 10 40 JJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S 409174039 QIFGZEIRJWZVPQ-VBKFSLOCSA-N 483.343 4.549 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)c(C)c1 409232817 SEJDDSOOSOLGAB-XDHOZWIPSA-N 494.956 4.835 10 40 JJCB COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)O 2119809 VYKVUKXEWUALQJ-LZYBPNLTSA-N 469.462 4.583 10 40 JJCB COc1cc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)ccc1OCc1ccc(C(=O)O)o1 34720282 LLSQCNVROLSQRT-JAIQZWGSSA-N 468.462 4.787 10 40 JJCB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1 101060890 ALABFLUHXVUNGN-SDHSZQHLSA-N 458.514 4.622 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 260916280 IHQQPKCOELIZOO-ZSQFBXSQSA-N 475.662 4.707 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C)c(C)c1 408804188 CYHZEUDGHWFNPY-OEAKJJBVSA-N 470.525 4.866 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 408946537 AMNRPYAVAKVIHA-FSJBWODESA-N 471.513 4.729 10 40 JJCB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1ccc(N(C)C)cc1 408985899 BJYJUDNVRYZPNH-QFIPXVFZSA-N 464.547 4.956 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(I)c(OCC)c(OCC)c2)SC1=S 409345240 KJYFBPLFSQCUCC-UVTDQMKNSA-N 477.389 4.700 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409347738 NGTLMLFLUIWATE-PXNMLYILSA-N 466.924 4.767 10 40 JJCB Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 9281164 RUXKHLMPLAALBS-GPMQGLMRSA-N 451.861 4.929 10 40 JJCB O=C1C(=Cc2ccc(O)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 9891791 HMXQWIQIORGQHA-UHFFFAOYSA-N 463.287 4.738 10 40 JJCB Cc1ccc(OCCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1C 13569686 UZMNVPNLAOXOMX-PCLIKHOPSA-N 497.551 4.982 10 40 JJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCc2ccc(O)cc2)cc1 20288862 CGOIUGDICLYDJQ-ULJHMMPZSA-N 484.581 4.868 10 40 JJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)S1 32111762 WHDPHMBKZJZJDU-RQZCQDPDSA-N 465.756 4.788 10 40 JJCB O=C1[C@H]2CCC[C@@H]1[C@H](c1cc(Br)ccc1O)N[C@H]2c1cc(Br)ccc1O 36085641 BNLUROIUVWWAIF-JSVGYJQLSA-N 481.184 4.994 10 40 JJCB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cnc2ccccn2c1=O 40145558 MYVXLMFOCXIIAN-HXUWFJFHSA-N 466.463 4.620 10 40 JJCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)cc4Cl)ncn3)CC2)cc1 49006844 GWMAEHOEDVJZED-UHFFFAOYSA-N 484.025 4.504 10 40 JJCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1 58849940 YXMJFJRTBMXIQO-WZOHSFFVSA-N 490.537 4.741 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]32)cc1 101156901 HCLXKQQBAXTDEU-ZRBLBEILSA-N 485.923 4.652 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 223012425 UDWVEFIFOVGCGY-FTJBHMTQSA-N 477.678 4.954 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1Br 223268450 LAZCNQOUNRBHJL-PKTZIBPZSA-N 498.494 4.786 10 40 JJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)nc1 225509643 IWVXFZOLCPUTRO-KAYWLYCHSA-N 496.640 4.804 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409242495 NYYNPNYUWZUPQH-QGOAFFKASA-N 450.878 4.974 10 40 JJCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O1 2194471 KSQOSOGYXWLKQJ-UHFFFAOYSA-N 464.268 4.863 10 40 JJCB O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1ccccc1C(F)(F)F 12583132 MPSWVZJTDJQSFY-NVNXTCNLSA-N 472.897 4.865 10 40 JJCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5)o4)C(=O)N=C3S2)cc1OC 13751962 YMPRLGPFKKFCTD-KTXRHGARSA-N 472.526 4.826 10 40 JJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 16292669 WSJKTGJDXPXOEY-HYARGMPZSA-N 457.442 4.989 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)o3)c2C)cc1 21166331 XDTMAHYCYOJQQI-UHFFFAOYSA-N 451.504 4.807 10 40 JJCB O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccc(Cl)cc1 27015604 KSCSVSNGVQMGLE-GEBKJHSDSA-N 459.976 4.939 10 40 JJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc5ccccc45)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100416647 ZSENKXVEMHFTBR-ZNZIZOMTSA-N 487.511 4.843 10 40 JJCB Cc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 222614890 UANYPDOTGJSOMX-IRLDBZIGSA-N 471.667 4.655 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1F 223308525 XJNAOPXRAVBPSP-GKVQRAMASA-N 450.583 4.780 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 223559819 WBAJSUDRGHJSJL-CLJLJLNGSA-N 497.624 4.843 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OC 408803567 QPCFOMGUBITEHW-UDWIEESQSA-N 492.915 4.603 10 40 JJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC1CCCC1 409138812 IJLHGEOKXQUPAN-MTJSOVHGSA-N 465.600 4.695 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S)c1ccccc1 409177989 FQRWJFHONSEGRQ-KGENOOAVSA-N 464.543 4.951 10 40 JJCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 409350573 YLPMLSPRUHSALQ-JMIUGGIZSA-N 456.633 4.923 10 40 JJCB CCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2OC)SC1=S 8451869 WUZCMMZCQSYRPZ-WDZFZDKYSA-N 451.205 4.831 10 40 JJCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 9291110 ZZPSESLTDFMKQU-OEMPCWLZSA-N 496.614 4.818 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(O)=NC2=S)cc1 13800161 ZUBUBPYXFIWBMA-UYRXBGFRSA-N 462.483 4.715 10 40 JJCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 106884244 MGXKTFPXYCNLBC-CAOOACKPSA-N 483.398 4.898 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C2=O)c1 208513369 LRZTUXPECDFUOB-HYARGMPZSA-N 459.546 4.774 10 40 JJCB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(C)=O 408585044 BBIBPCIOMNYFDE-UHFFFAOYSA-N 472.950 4.729 10 40 JJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc(Br)c1 408867951 KULMOOLXSCORHN-KGENOOAVSA-N 477.314 4.695 10 40 JJCB CCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408900183 RVLJOBDEVPMIMW-WJDWOHSUSA-N 477.742 4.866 10 40 JJCB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)cc(Cl)c1OCc1ccccc1F 409149523 IZHUEZCPMCPTCD-IBGZPJMESA-N 484.014 4.875 10 40 JJCB Cc1cc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)ccc1Cl 13940854 LFDONLAMOIDFNS-JWGURIENSA-N 476.916 4.773 10 40 JJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]23)cc1 18180193 FOHKZZTYFWSEOG-DSNGMDLFSA-N 479.532 4.814 10 40 JJCB CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 32594547 DNVDGNCADBPVJK-YVLHZVERSA-N 465.522 4.611 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223721934 KFNRCPQRZCUUAK-UIOOFZCWSA-N 476.646 4.977 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)C2)cc1 225525922 LPOSOVFHLSRXHB-LADGPHEKSA-N 483.678 4.509 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(Cl)cc3)C2=O)cc1 408806846 BZCKXXHPWKBIEQ-LPYMAVHISA-N 492.915 4.603 10 40 JJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1OCC 409192943 GKBIXACDZBYUMO-MHWRWJLKSA-N 493.343 4.549 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(O)c3)C2=O)cc1OC 8819926 GVZDVOJUPIHZTI-STZFKDTASA-N 486.615 4.810 10 40 JJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8884260 CWZJJRBDCJRELL-JZQBQCRLSA-N 453.516 4.983 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)NC2=S)cc1C 9805404 TVRPCJBSALBPEK-ONUIUJJFSA-N 486.641 4.810 10 40 JJCB CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 13897368 HYRPNEBHVZMXKI-PLRJNAJWSA-N 456.542 4.903 10 40 JJCB CCN(CC)c1ccc(CN(C(=O)c2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1 27755610 HZWFQDGQJIIUBH-QHCPKHFHSA-N 450.604 4.516 10 40 JJCB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 32125038 JJDKMYZMNRTWAJ-MHWRWJLKSA-N 452.966 4.738 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 208233401 RDMKXKQZQZBPPN-WMRWHDLOSA-N 463.603 4.557 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 409062992 FATPGFWXPIKXDR-UDWIEESQSA-N 464.319 4.523 10 40 JJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 409126588 LLQYSWVOMHFOJC-FYJGNVAPSA-N 487.581 4.549 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c1C 409134464 SZWWRBCGYNLXOI-MHWRWJLKSA-N 473.392 4.684 10 40 JJCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)cc1 409230533 FEWXULZVYCGDND-DEDYPNTBSA-N 460.511 4.600 10 40 JJCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 9783777 SINBJIIQXMVMGL-UHFFFAOYSA-N 487.585 4.829 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1C 13943634 JRVAODROPHNDMZ-AHBWAQPJSA-N 485.363 4.594 10 40 JJCB Cc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)c1 17010471 BCPQOQGGYIKEHE-MUUNZHRXSA-N 474.624 4.802 10 40 JJCB Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 27015546 DYFZLGQPZZIWPH-DZWBUWGUSA-N 465.596 4.994 10 40 JJCB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)C2)cc1 260899518 LPOSOVFHLSRXHB-ISKFKSNPSA-N 483.678 4.509 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 408962594 ZOKCYXZYCGAGEE-JWGURIENSA-N 465.575 4.751 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 408986997 NZANEARYAFONMQ-SFQUDFHCSA-N 465.849 4.737 10 40 JJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)N(c2ccccc2)C1=O 409020004 LLIAOVCZWSSSQO-UQQQWYQISA-N 471.557 4.736 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)C1=O 409067624 GNAHMFIUIMMYDL-MTJSOVHGSA-N 490.899 4.592 10 40 JJCB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409333554 UJZWEAKIYQBNJC-XNTDXEJSSA-N 483.434 4.846 10 40 JJCB COc1ccc2c(ccn2CCn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)c1 604406388 VENWBIAILDYIIK-UHFFFAOYSA-N 480.520 4.894 10 40 JJCB biogenic O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2cccc(Br)c2)C1=O 1736953 ANJULRDKYZIHJU-YPKPFQOOSA-N 496.205 4.940 10 40 JJCB CC(=O)Oc1cccc2c1N1[C@H](C(C)=O)[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 9087345 FONIOBIYPHOURF-UODIDJSMSA-N 495.506 4.773 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 9462227 HKVRSQUFKZSDRW-MNDPQUGUSA-N 488.679 4.703 10 40 JJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)c(Cl)c1 9908159 NUUIQAIXCFDARM-ODLFYWEKSA-N 455.992 4.995 10 40 JJCB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)n1 9934534 YJGWBNJIXDABTG-UHFFFAOYSA-N 453.351 4.519 10 40 JJCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C1\C(=O)Nc2ccc(Br)cc21 12412805 JMCNRXXTTHZVKX-NXVVXOECSA-N 450.214 4.596 10 40 JJCB CCCCOC(=O)c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1 21359458 JICGUMGWKGAXKZ-UHFFFAOYSA-N 482.602 4.669 10 40 JJCB Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C\c2cc(Br)c(N(C)C)o2)C1=O 59105088 SHUMSJSJDKXQBO-KPKJPENVSA-N 497.143 4.686 10 40 JJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274570 XOKSXTPFCNZVAP-DNQXCXABSA-N 484.069 4.685 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 223350662 ZAFRICYIWHCTQR-LOSJGSFVSA-N 472.570 4.984 10 40 JJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2[C@@H](C)CC1(C)C 223559713 IJOFVOAIUWTCCU-YODDIOPGSA-N 475.545 4.582 10 40 JJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223692714 ACBYMZZMCTYYPF-DQEYMECFSA-N 462.619 4.642 10 40 JJCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 223713414 FTYAKFUFCSEZQA-ZEQRLZLVSA-N 464.635 4.639 10 40 JJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408798542 VTDYGICYYKDKJV-JXAWBTAJSA-N 475.463 4.638 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C 408809145 KGJLMMCKRVUPSM-LZYBPNLTSA-N 463.317 4.846 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Cl)c1 408873872 WNLGTPBIVLPDKA-VXLYETTFSA-N 479.851 4.645 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408889410 GJKPXWDUNQAOLU-XDHOZWIPSA-N 495.304 4.834 10 40 JJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)C2=O)cc1 408941640 XLXAQVCLFGAYEY-JLPGSUDCSA-N 456.498 4.639 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)cc3Br)SC2=S)cc1 409347840 NNARXXQYSDMJGL-MFOYZWKCSA-N 466.378 4.968 10 40 JJCB O=C(OCc1csc(-c2ccccc2)n1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 3330766 PIUWZNRSFFOHME-UHFFFAOYSA-N 472.569 4.735 10 40 JJCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)c2C)c1 9157808 NEXQTMODQJSFFF-RUZDIDTESA-N 468.557 4.538 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(O)=NC2=S)cc1 33735287 SMFMLMXSMGUIKU-LFIBNONCSA-N 458.381 4.749 10 40 JJCB O=C1C[C@H](c2ccc(F)cc2Cl)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96220994 GRHYIKSMLZFBBL-GFCCVEGCSA-N 484.819 4.516 10 40 JJCB biogenic Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)n1 104090895 NEKGPXIAACPVOJ-BRMDCIMDSA-N 488.537 4.976 10 40 JJCB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(I)c1OC 107783341 WXVPXNBVLKGNEP-WJDWOHSUSA-N 480.327 4.781 10 40 JJCB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956448 DGQCNURIRXBNFP-MRXNPFEDSA-N 478.588 4.819 10 40 JJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408773891 MVFPGWSVEALOPX-XGDNCFSYSA-N 496.563 4.820 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 408866235 GFPHWJSEDCSYPH-ATVHPVEESA-N 495.304 4.834 10 40 JJCB CC[C@H](C)Oc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408898347 LJPIZALLSQKPBD-FBJMNJBLSA-N 487.350 4.610 10 40 JJCB CCOC(=O)C1=C(C)N=C(SCc2cc(OC)ccc2OC)N[C@H]1c1ccc(N(C)C)cc1 408986302 BRIPVHWUURQPKQ-QHCPKHFHSA-N 469.607 4.541 10 40 JJCB O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1ccccc1F 9233846 QPUSVNLMWIOXND-RIYZIHGNSA-N 457.289 4.542 10 40 JJCB Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 32701759 RNICWTYEMLCCAS-DEDYPNTBSA-N 484.599 4.799 10 40 JJCB CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cccc(OC)c4)c3)C(=O)N=C2S1 41083449 HLPVBCPRTDSAAP-FTNSYOLJSA-N 464.547 4.572 10 40 JJCB COc1ccc(/N=N/[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)c(S(=O)(=O)O)c3)N=C2C)cc1 97963995 VGSFQCFEPACHJI-ZELUPATCSA-N 480.502 4.609 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 223979420 IQISXSGSRXBFTR-UHFFFAOYSA-N 451.592 4.572 10 40 JJCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(-c5ccccc5)cc4)no3)CC2)cc1 225832989 MFUUCNWKRNDYMF-UHFFFAOYSA-N 468.557 4.694 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCc1ccccc1 409226953 OBXZANLUXAVWTF-KGENOOAVSA-N 472.566 4.722 10 40 JJCB CC[C@@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 13687681 SAQCWQNTNXTCTO-YLPLVBRQSA-N 475.520 4.886 10 40 JJCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665206 OPLCGUPBXKVFQM-AREMUKBSSA-N 493.051 4.708 10 40 JJCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3c(O)c(C(=O)O)cc4ccccc34)cc2)s1 104123465 UMOBZXXKVLTDIS-FCQUAONHSA-N 469.504 4.620 10 40 JJCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(Br)c1 106953509 PDOFTAVUZWKJIT-JAIQZWGSSA-N 450.361 4.627 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 225048880 BCDLBCNROHZNFW-UHFFFAOYSA-N 479.646 4.661 10 40 JJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 408941466 WPSFBMPKQLJEEN-MTJSOVHGSA-N 450.853 4.725 10 40 JJCB N=C1/C(=C\c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 7003961 KIABEGSUFYLNGK-ZBVAQKGLSA-N 494.882 4.979 10 40 JJCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1 9057182 TYVARSZYZGVXTM-CJHGCLHJSA-N 474.296 4.646 10 40 JJCB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9397247 XUOZERGVPRVBBE-DSNGMDLFSA-N 482.467 4.756 10 40 JJCB Cc1ccccc1C1=NN2C(=N)/C(=C/c3c(C)nn(-c4ccccc4)c3Cl)C(=O)N=C2S1 27549256 FIHRUGHZFNVWJR-QDLOHUEYSA-N 460.950 4.810 10 40 JJCB O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 36022850 ZQMRKDKGGFLAHB-YXYSEUPNSA-N 456.498 4.788 10 40 JJCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)SC1=S 97999113 QUGSCORLQJUNRU-MOSHPQCFSA-N 457.573 4.672 10 40 JJCB COCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 101375084 GJWCPHBOMZJDBG-NBVRZTHBSA-N 452.605 4.610 10 40 JJCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102740219 SWQASVHFACEOHY-JAXLGGSGSA-N 485.323 4.759 10 40 JJCB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 408539635 XTGXAIZBEWJITG-HKWRFOASSA-N 481.505 4.619 10 40 JJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408866567 GJLCYJAEFXIQPQ-MTJSOVHGSA-N 494.504 4.816 10 40 JJCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409241836 SHOREMQAKXRVAC-VGOFMYFVSA-N 465.358 4.540 10 40 JJCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 409249770 VNMIFAAXBPFVJB-FOWTUZBSSA-N 490.412 4.824 10 40 JJCB CCOc1ccc2c(c1)SC1=NC(=O)/C(=C/c3cccn3CCOc3ccccc3OC)C(=N)N12 2348547 SVKNOLNKDNIPBH-HJLDNAKXSA-N 488.569 4.844 10 40 JJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 8383662 FKTORXUWFGNHLK-PDGQHHTCSA-N 466.921 4.889 10 40 JJCB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)c1 9159089 RCNHNHZJRRBGHD-PDGQHHTCSA-N 451.573 4.750 10 40 JJCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 41108513 RTHACSFNHLHXGU-BRDBGPSPSA-N 455.543 4.738 10 40 JJCB O=C(O)c1cccc(Cl)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1O 257200768 AEUSCZGXCUXCFR-UHFFFAOYSA-N 478.932 4.875 10 40 JJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 408900026 SIOGQHSPSHKLSR-GHRIWEEISA-N 450.853 4.725 10 40 JJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C2=O)c1 408963150 AIMMJLSNLVFZSL-DEDYPNTBSA-N 453.420 4.779 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408998876 JFRZNNLQAPJZQS-UHFFFAOYSA-N 477.948 4.760 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S)c1cccs1 409343576 HUOLJFIUILOAGC-XDHOZWIPSA-N 497.579 4.782 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc(OC)c1OC 1246551 MSYJHWRJKWRRDE-YBEGLDIGSA-N 466.378 4.881 10 40 JJCB COc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c2ccccc21 8986298 WQBIRCOFCGUNFQ-RSPUHVBCSA-N 473.558 4.758 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 9232977 WCTLJHPFQNQYFZ-CIAFOILYSA-N 476.510 4.937 10 40 JJCB O=C1[C@H]2CCC[C@H]1[C@H](c1cc(Br)ccc1O)N[C@H]2c1cc(Br)ccc1O 100455177 BNLUROIUVWWAIF-MBZVMHRFSA-N 481.184 4.994 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223657832 QEGSOCTZTOWTKD-AZGAKELHSA-N 476.646 4.950 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2c1 408767491 LIFGUIFVVTYORJ-HZHRSRAPSA-N 458.514 4.920 10 40 JJCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br 409092367 UZZWOCOURCSOIP-UYRXBGFRSA-N 477.314 4.747 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 409228605 ZWDCBJDCEMXQFU-WOJGMQOQSA-N 493.972 4.585 10 40 JJCB O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1CCCN1CCOCC1 25666336 VSXKUDCWUPEXBF-XMHGGMMESA-N 482.549 4.889 10 40 JJCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 34909765 UHDZGWNAQFPKPI-UDWIEESQSA-N 497.320 4.637 10 40 JJCB COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3OCc3ccccc3)CC2)cc1 38501081 XKIGSMJHRYRSCL-UHFFFAOYSA-N 486.547 4.561 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCSCc1ccc(C)cc1 96191239 KDPUWPNEVNFONG-XQNSMLJCSA-N 474.582 4.777 10 40 JJCB CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 96297467 SRPBONRGTZUWMR-NXCFDTQHSA-N 455.558 4.892 10 40 JJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1F 223308487 XJNAOPXRAVBPSP-GLYQVZKVSA-N 450.583 4.780 10 40 JJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2Br)c1 408692730 TWMBLLNBXQTXQS-XDHOZWIPSA-N 483.362 4.741 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1 409232991 CSAJVJZKRZKQJD-WSDLNYQXSA-N 479.533 4.917 10 40 JJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)cc1 1379934 YPTCEIGVVLIZEE-VWLOTQADSA-N 475.545 4.521 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 9089905 ATAIQLAAFSDANW-PKXQUSJVSA-N 465.638 4.848 10 40 JJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1ccc(Cl)cc1Cl 9138015 GQDZRJWHQGRWAD-WOJGMQOQSA-N 458.276 4.649 10 40 JJCB O=C(COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1)Nc1ccccc1 9907490 GCYCVNIISWHJHK-KGENOOAVSA-N 475.501 4.515 10 40 JJCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCC(=O)Nc1cccc2ccccc12 16779094 WEGJYBYFXVDTTP-MOSHPQCFSA-N 464.568 4.697 10 40 JJCB COc1cc(/C=C2/SC(=S)N(C3CCCC3)C2=O)ccc1OCC(=O)NC1CCCCC1 36612287 NOKDZWKZFXYJHJ-KGENOOAVSA-N 474.648 4.667 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 108978119 MVZNUANDYVPASS-ZDLGFXPLSA-N 484.295 4.942 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 223722330 DPQORIIRVVLPMZ-DNQXCXABSA-N 466.582 4.554 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408530407 FGXXSRGDKXPXFG-DEDYPNTBSA-N 490.899 4.543 10 40 JJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 408741032 JKJAJMZLAXCLII-WUXMJOGZSA-N 456.148 4.587 10 40 JJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1 408784862 VXKIGNDPCRQRBV-UDWIEESQSA-N 476.916 4.902 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1 408810493 JFZHPUMMFYWDOT-YBFXNURJSA-N 483.952 4.727 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 408811619 LROFDSIPXSOYSR-UDWIEESQSA-N 480.879 4.733 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl 409230580 ZQPOFMHFCOAEDX-GZTJUZNOSA-N 481.917 4.956 10 40 JJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409231398 CWTUROLBWXAXPO-XNTDXEJSSA-N 485.279 4.926 10 40 JJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 638403 ULBIAZRIJIKMHB-MFOYZWKCSA-N 457.910 4.551 10 40 JJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F 1178050 PDYAQUCUMOBZSW-ODLFYWEKSA-N 495.850 4.633 10 40 JJCB CCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2199749 CRBOPXMBBMDQRU-JXAWBTAJSA-N 451.573 4.797 10 40 JJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 8820064 YOUIBPREGRVPKI-PGMHBOJBSA-N 498.626 4.882 10 40 JJCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)CC1 9303805 SZKDWADIJQMOTQ-JWGURIENSA-N 450.560 4.511 10 40 JJCB Cc1cc(C(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c(C)n1-c1ccc(F)c(Cl)c1 9587789 RDSTYZXKBUOJQZ-UHFFFAOYSA-N 492.020 4.527 10 40 JJCB Cc1cc(-c2csc(NC(=O)c3cnc4sccn4c3=O)n2)c(C)n1-c1ccc(F)cc1 32847835 TZUOYQXAYCHUDI-UHFFFAOYSA-N 465.535 4.678 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2cccc(C)c2)c1 408806571 FLGQJKLOURQRDL-OEAKJJBVSA-N 456.498 4.557 10 40 JJCB CC(C)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O 408822745 BWMLTJRCRNNDHB-ZROIWOOFSA-N 452.816 4.812 10 40 JJCB COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O 409149705 OBLHTWYKLFTXDH-CXUHLZMHSA-N 497.823 4.966 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)NC1=S 409235377 ZZDCTZIBSDSESU-QGOAFFKASA-N 494.414 4.996 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O 409241260 SNCUWZRJEFZUKT-LTGZKZEYSA-N 457.530 4.722 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(Br)cc1 8765630 ZYKXHFOOJWOXOE-WJDWOHSUSA-N 465.369 4.818 10 40 JJCB CCOC(=O)[C@H]1[C@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9291008 WSSYBTFYTFMGJB-UODIDJSMSA-N 479.532 4.692 10 40 JJCB Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 33825311 YYECABOEHBJMPJ-ODLFYWEKSA-N 463.877 4.597 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 223651457 YHOUGVCTEUCEOD-JWQCQUIFSA-N 462.619 4.587 10 40 JJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O 409235688 CWXIQVVAUHIYEG-AOHITCTBSA-N 487.350 4.692 10 40 JJCB CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3cc(C)ccc3O)=NN12 10214532 YEZDQRHHGOGIHV-NRFANRHFSA-N 465.550 4.591 10 40 JJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(F)cc1 12363118 MRSJVVQMTPZIFP-JAIQZWGSSA-N 498.377 4.827 10 40 JJCB O=C1/C(=C/c2cc(Cl)c(O)c(Br)c2)C(O)=NC(=S)N1c1ccccc1F 59136035 HNXFTHKHUPVSLD-WEVVVXLNSA-N 455.692 4.619 10 40 JJCB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1 215194680 JRXMABSOROPKDM-GZTJUZNOSA-N 464.328 4.594 10 40 JJCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)NCc1ccccc1 408571269 AVFHFHRTISHQKK-HMAPJEAMSA-N 478.570 4.927 10 40 JJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 409064355 CQMRXGMYYAXEEF-CIAFOILYSA-N 490.899 4.592 10 40 JJCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 13602120 KVOFLQAVZKNDBL-QHAWAJNXSA-N 492.314 4.689 10 40 JJCB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2c(O)ccc3ccccc23)n2c1nc1ccccc12 20675453 JAHDVNKASWTDBU-BJKOFHAPSA-N 457.530 4.811 10 40 JJCB CCCCCCOc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC 33533386 BJKYSRPSNADLAW-LFIBNONCSA-N 455.374 4.523 10 40 JJCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 33660437 OIMNOIRTZPLQEQ-RGVLZGJSSA-N 457.502 4.548 10 40 JJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)cc1Cl 408852102 IHFCWMRZSAGRRP-XDHOZWIPSA-N 478.888 4.670 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 408989484 KUTZTRDMMSJHKL-NDENLUEZSA-N 491.887 4.802 10 40 JJCB CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(C(C)(C)C)c1O 409190520 YTIFEKASOOIUNQ-GZTJUZNOSA-N 480.586 4.517 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1O 409233112 QJYIQGWQTJBOKM-CXUHLZMHSA-N 489.391 4.508 10 40 JJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409245316 QSYWNANHKSEWRQ-YBFXNURJSA-N 491.931 4.729 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N(CCO)Cc1ccccc1 8857628 AGFNYBUDDLKMPW-CAPFRKAQSA-N 474.673 4.531 10 40 JJCB CC(C)(C)c1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 9293282 SGUYCDQTDRLNPG-PGMHBOJBSA-N 450.564 4.685 10 40 JJCB Cc1ccccc1N1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 9339660 OEZSEWRRFBJOJS-JCMHNJIXSA-N 451.551 4.829 10 40 JJCB CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 28464685 HFXSSNZENBFPDV-CYVLTUHYSA-N 472.588 4.857 10 40 JJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223656571 BMLARTCILLNZLH-RPBOFIJWSA-N 462.619 4.642 10 40 JJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 408783005 ZZTWMUIPFKCQQH-KGENOOAVSA-N 464.905 4.957 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C 408990672 LILPSNLFQSAUIA-LDADJPATSA-N 490.566 4.589 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 409140870 GKYRFOMXNAAXHU-XSFVSMFZSA-N 474.538 4.571 10 40 JJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1 1181414 WVCYZFRGXWEKNW-GZTJUZNOSA-N 461.406 4.988 10 40 JJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)c2C)cc1 2651301 WZOZTXARTDZEOX-UHFFFAOYSA-N 463.515 4.856 10 40 JJCB O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 2958402 CMMANRANYLCHFH-RGEXLXHISA-N 498.563 4.768 10 40 JJCB COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc5c(C)cc(=O)oc5c4)cc3)CC2)cc1 3411123 SMZSEWPFZGCQAY-UHFFFAOYSA-N 484.552 4.651 10 40 JJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 8818975 AUXHKCASQCGBTB-BPKVKKHESA-N 498.991 4.916 10 40 JJCB CN1C(=O)/C(=C/c2ccc(C(=O)NCCCCCCCCCCC(=O)O)cc2)SC1=S 8869999 GJNNJGSAIXWAHS-MNDPQUGUSA-N 462.637 4.843 10 40 JJCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 9292393 LHXUHAAOUZZUOU-VVZNPABPSA-N 458.653 4.629 10 40 JJCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OC 9323184 JBHKRYYFKFHCSO-QRVIBDJDSA-N 486.568 4.838 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 9615647 PCPXJDZNXGJVRL-DEOSSOPVSA-N 453.901 4.537 10 40 JJCB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113160 DIXYJXNWFNQJQI-UHFFFAOYSA-N 477.630 4.573 10 40 JJCB O=C1N=C(O)/C(=C\c2cccn2CCOc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccco1 13940182 BRKAYXRUDKSWPB-SFQUDFHCSA-N 474.300 4.969 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 35177768 LDFHNTFUCGGESL-ZDLGFXPLSA-N 484.295 4.942 10 40 JJCB COc1cc(C)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC 408548075 CYDQIIAVMXODMH-UHFFFAOYSA-N 458.539 4.761 10 40 JJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)c1 408753648 BKFMJIZXMDEDOT-CIAFOILYSA-N 494.414 4.996 10 40 JJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC(C)C 408897894 JLRCMMAXVAYKEQ-BOPFTXTBSA-N 487.350 4.610 10 40 JJCB COC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1Br 409347661 MKIQWWOIBFTGFA-YBEGLDIGSA-N 470.410 4.535 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1 3864862 OZDJISKZJCGJKX-HKWRFOASSA-N 456.589 4.801 10 40 JJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCCOc1ccccc1C 9660161 WSWCWHSOCMBZBQ-BOPFTXTBSA-N 480.405 4.713 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1 15931087 FMRHHYLNGLZXRV-QRVIBDJDSA-N 499.523 4.525 10 40 JJCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)cc1 18058651 GOPYGJAUHOZQFQ-VJBWXMMDSA-N 492.373 4.566 10 40 JJCB COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 35848347 JNIJLEPTRJTOKD-SGNDLWITSA-N 469.924 4.946 10 40 JJCB CC(C)Oc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96220972 NJDZALSOJYHVDK-INIZCTEOSA-N 490.464 4.511 10 40 JJCB biogenic O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 108945546 LSMZMEMGDRZMCE-OEAKJJBVSA-N 470.456 4.813 10 40 JJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(=O)O)c1 223463095 JRJWQTVFIOJWBW-JWQCQUIFSA-N 483.597 4.755 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 225751117 BDOVXRNXSPCESP-UHFFFAOYSA-N 493.673 4.970 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260925543 VKVHJZSUCLZBPZ-XZOQPEGZSA-N 485.053 4.902 10 40 JJCB CCN(CC)c1ccc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)c(O)c1 408632155 OCSILJDHHKLKMO-GRSHGNNSSA-N 474.970 4.903 10 40 JJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Br 408752114 FXCDXEYUTMJCMN-BOPFTXTBSA-N 496.273 4.592 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 408871828 XPTQONTZOGFUEP-UYRXBGFRSA-N 495.304 4.834 10 40 JJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2375428 PITVDYLNTHZLRC-RGEXLXHISA-N 454.573 4.567 10 40 JJCB N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2388928 QNWUWNKDSFYPCI-FSWFDUBRSA-N 492.564 4.783 10 40 JJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1 13894790 AXZLGHUALPQMPM-VOYWMKQHSA-N 484.965 4.836 10 40 JJCB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc([N+](=O)[O-])ccc2O)cc1 19325742 RNDBDFDWOALNDS-UHFFFAOYSA-N 463.534 4.724 10 40 JJCB Cc1oc2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2c1C(=O)NC1CCCCC1 19794045 GZVPUFUQXZHGTP-UHFFFAOYSA-N 461.606 4.827 10 40 JJCB Cc1ccc(C)n1-c1ccc(C(=O)NS(=O)(=O)c2cccc(Br)c2)c(Cl)c1 257306456 SUIPEJMXTZQZID-UHFFFAOYSA-N 467.772 4.629 10 40 JJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)C1 260843290 PZUOJHLTYFRDLQ-RBUKOAKNSA-N 493.620 4.625 10 40 JJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC 409343575 DYWGBUOCUBMDGB-LICLKQGHSA-N 481.954 4.835 10 40 JJCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(Br)c1 1218336 GICHELCGFVMJDJ-UVTDQMKNSA-N 453.408 4.741 10 40 JJCB CCCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 9137168 XKZWAGUBFZEZSU-DIZJOYMFSA-N 484.691 4.958 10 40 JJCB COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 15930886 CGXWVEYEXRMGON-UCQKPKSFSA-N 499.523 4.525 10 40 JJCB O=C(O)c1ccc(COc2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2)cc1 59135114 REYRILFTDKRKKU-FYJGNVAPSA-N 460.417 4.610 10 40 JJCB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)c1 214538676 KEDQVQYJXCECNO-RGVLZGJSSA-N 463.467 4.888 10 40 JJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223559684 FSBQEQHOMVEDRY-IZZNHLLZSA-N 497.624 4.843 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=O)c1 408762233 NTJSEQKWDGMWPW-BUVRLJJBSA-N 457.530 4.722 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(F)cc2)c1 408809971 HXVCWPUGCWCAGB-YDZHTSKRSA-N 474.488 4.697 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408990683 YCUYKDDFIYHFMV-HMAPJEAMSA-N 474.488 4.642 10 40 JJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc(Br)c1 409097715 JCOQTVNVJHMODZ-GIJQJNRQSA-N 477.380 4.845 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1Cl 409240134 ORRUVNRUCYYKNF-WJDWOHSUSA-N 467.890 4.648 10 40 JJCB Cc1ccc([C@@H](c2cc([N+](=O)[O-])ccc2O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12939041 HJWIVDGVIQXMEA-QHCPKHFHSA-N 472.467 4.934 10 40 JJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]23)cc1 18276801 HCLXKQQBAXTDEU-VJBWXMMDSA-N 485.923 4.652 10 40 JJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C 223009862 SAFHGEHAXIXIHP-FGZHOGPDSA-N 485.451 4.871 10 40 JJCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 225306517 UBCIGMUESWULAB-CTDSJEBPSA-N 473.573 4.927 10 40 JJCB COc1cc(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1O 409032530 JEXCBBBJDSSSIB-RUDMXATFSA-N 477.183 4.665 10 40 JJCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S 2156328 PGCNFBLKHXXMBR-XMHGGMMESA-N 480.387 4.634 10 40 JJCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 2618862 PNLCUSLKCNZZSO-DEOSSOPVSA-N 469.463 4.763 10 40 JJCB Cc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1 3770333 PQYIUBMQLAIFEL-OXWVMCNISA-N 477.633 4.693 10 40 JJCB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1 21375509 XJEXBMHGIYXCMV-QGZVFWFLSA-N 482.565 4.779 10 40 JJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2)c1 33449004 BKMYNUQUFRHRSV-HMAPJEAMSA-N 473.460 4.658 10 40 JJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 41078295 OKPURSJSWAJSFW-IFSIZWCKSA-N 488.378 4.865 10 40 JJCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 59139651 UMCRZBXLWVARQK-UHFFFAOYSA-N 494.016 4.925 10 40 JJCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(N)=O)cc1 100524926 ITKBGABXCFAZPH-OIUDPUMTSA-N 483.351 4.547 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208241483 UVHFFZMRZIIFNH-YRIIZNAFSA-N 467.953 4.737 10 40 JJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C 222880930 ZPKBYKBJZKVFBW-PKTZIBPZSA-N 465.579 4.788 10 40 JJCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 408742864 TVBRSFPUBPXLMW-PDGQHHTCSA-N 481.371 4.751 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c2ccccc12 408782636 XYIDDUKQHBBISD-GZTJUZNOSA-N 480.904 4.576 10 40 JJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1 408967155 QDTDAPAMHYDZLG-GIJQJNRQSA-N 471.916 4.857 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1 409371722 GPUZOBCNHDISLI-UDWIEESQSA-N 480.904 4.573 10 40 JJCB CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409374262 ZHRMEKUKBBSPJG-LZYBPNLTSA-N 482.370 4.857 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)o1 3003981 ZIHDZJZWIHXNGV-WOJGMQOQSA-N 451.435 4.974 10 40 JJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cc(C)ccc2C)cc1 13668679 HWOHRELXLLFDRU-UHFFFAOYSA-N 491.657 4.724 10 40 JJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc(OC)c(OC)c(OC)c2)cc1 20288855 GQSWSAFSPASYPR-JLPGSUDCSA-N 491.519 4.997 10 40 JJCB CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(C)C1=S 59139733 NMLNKZXIWYRBEQ-UHFFFAOYSA-N 458.370 4.595 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 208241439 UVHFFZMRZIIFNH-HIPSJFSSSA-N 467.953 4.737 10 40 JJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621997 KKNWQZFXGDRYQT-PKTZIBPZSA-N 455.027 4.806 10 40 JJCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 223722131 WVBDSWZECCYIBD-UIOOFZCWSA-N 476.646 4.977 10 40 JJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1ccc(Cl)cn1 408528038 DYFNZTBPJKBDPU-KGENOOAVSA-N 476.964 4.782 10 40 JJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)c2C)c(C)c1 408757620 NZXGPDAXEWRGSM-HZHRSRAPSA-N 464.525 4.926 10 40 JJCB COCCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3OC)c3ccccc23)SC1=S 409131627 YNGIDQRZFJTHRX-KQWNVCNZSA-N 482.627 4.967 10 40 JJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c(C)c1 409132710 KNZJKJWQQYTZHD-BOPFTXTBSA-N 480.929 4.746 10 40 JJCB Cc1cc(/C=C2/N=C(S)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 8997330 RXNNYJATMMGWEV-UDWIEESQSA-N 450.545 4.910 10 40 JJCB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1 9331796 ALABFLUHXVUNGN-GVAUOCQISA-N 458.514 4.622 10 40 JJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 9762124 HQQKYJRIBKVWNK-LSCVHKIXSA-N 451.331 4.687 10 40 JJCB O=C1/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 13770719 YXPYDVXQFMQCJR-PDGQHHTCSA-N 479.514 4.620 10 40 JJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N2O1 41078327 HUVMYYVFSMWVQM-UTXWOTMXSA-N 456.271 4.618 10 40 JJCB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260813150 PXEHUYOAYOUPCA-HOTGVXAUSA-N 467.429 4.734 10 40 JJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409253009 YJZDDYBLHSCGCG-YBFXNURJSA-N 466.881 4.762 10 40 JJCB CCCCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 8859274 PRHLZYLFZOHYKC-MNDPQUGUSA-N 488.679 4.623 10 40 JJCB COc1cccc2cc(-c3cc(=O)oc4c(CN5C[C@H](C)C[C@@H](C)C5)c(O)ccc34)c(=O)oc12 9109399 HGWNUHQWPVTUAV-HZPDHXFCSA-N 461.514 4.759 10 40 JJCB biogenic Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 12862196 UCZFOBIJXYVXJB-UKTHLTGXSA-N 467.312 4.840 10 40 JJCB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCC1 13856394 UKRAKPDSXLCUBC-UHFFFAOYSA-N 498.988 4.616 10 40 JJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCCCOc1ccc(Cl)cc1 13940420 FWRMTJXTKNMKNZ-JWGURIENSA-N 493.903 4.558 10 40 JJCB COc1ccc(Br)cc1/C=C1/SC(=S)N(C(=O)c2ccc(F)cc2)C1=O 16226448 HRXVMWUWCYYKME-OQLLNIDSSA-N 452.326 4.638 10 40 JJCB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 40937794 WRMKVACEEHYXSS-DEDYPNTBSA-N 457.573 4.649 10 40 JJCB N=C1/C(=C/c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N=C2SC(Cc3ccccc3)=NN12 41076261 LLZAOSHLFOYDAD-VFHVDCSJSA-N 490.932 4.901 10 40 JJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223693976 BPQDCSBGFNZNJH-RPWUZVMVSA-N 483.037 4.987 10 40 JJCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 223717167 WFWKBNJAQYENGO-DNQXCXABSA-N 499.036 4.774 10 40 JJCB COc1cc(OC)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br 409038891 PTVGIJJPXWUNNY-RUDMXATFSA-N 491.210 4.968 10 40 JJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(F)F 409357619 JOAWTKYNEDBMTB-SXGWCWSVSA-N 484.933 4.805 10 40 JJCB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc2c2c1CCCC2 1614472766 HVGLMGJCHJOAAV-LRXUAWNHSA-N 460.618 4.772 10 40 JJCB biogenic Cc1cc(-c2csc(Nc3ccccc3)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3375609 FWRLGUQBOGLFDL-UHFFFAOYSA-N 494.642 4.982 10 40 JJCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 8575139 MFATVWKLGYOUHB-PCLIKHOPSA-N 490.585 4.831 10 40 JJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1Cl 9291468 RFIIHUMQMBWBAC-MNVVZTSHSA-N 481.887 4.938 10 40 JJCB CCc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S 9310100 PGCNFBLKHXXMBR-RGEXLXHISA-N 480.387 4.634 10 40 JJCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C)c(C)c2)SC1=S 9553479 PGKZYWFELDFXGV-MOSHPQCFSA-N 458.561 4.891 10 40 JJCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1nc(-c2ccccc2)cs1 12032405 PDRDSKFWEQJUHF-LICLKQGHSA-N 455.561 4.789 10 40 JJCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 13749716 QXQDHCVBCCNBDQ-HKWRFOASSA-N 496.633 4.861 10 40 JJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 15133480 ACWOJJRAKHYJQD-JCMHNJIXSA-N 466.950 4.859 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 28296902 NGDDUYVINWJWRF-SFQUDFHCSA-N 476.601 4.552 10 40 JJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S 33656561 UZQHYQKYHJRTIM-WQRHYEAKSA-N 477.007 4.896 10 40 JJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1 223504302 DCKYGJZSBWINEN-RPBOFIJWSA-N 454.603 4.760 10 40 JJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)c(OC)c3)SC2=S)cc1 408605953 ZMALTPFMAOPNDI-BKUYFWCQSA-N 487.599 4.830 10 40 JJCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Br)N1c1ccc(O)cc1 408847106 ZPBNESLDWAZVQK-CPNJWEJPSA-N 464.275 4.897 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C 408854229 AHQPZGFMNCDVOS-WOJGMQOQSA-N 465.849 4.791 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)cc1C 408856905 MAACRFJULZIGLD-DEDYPNTBSA-N 464.319 4.523 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)SC2=S)c(C)c1 409340590 ZULNLFHHLHIRBM-MFOYZWKCSA-N 478.389 4.935 10 40 JJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 2169126 XKEMPQBPYKYLIS-MTJSOVHGSA-N 476.510 4.937 10 40 JJCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 10113529 HSWPOVNMGWDYJA-UHFFFAOYSA-N 498.048 4.760 10 40 JJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 10232787 DBLDZGGKSJHESJ-DTBYZMGXSA-N 451.525 4.982 10 40 JJCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 35648507 ZHCDKJCRDBJHLU-YBFXNURJSA-N 459.545 4.684 10 40 JJCB COc1ccc(N2CCCN(C(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)CC2)cc1 83947471 KKHLBHIQJDOMPT-SANMLTNESA-N 492.019 4.949 10 40 JJCB COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)c(OC)c1 409095299 HCWCSMLAYMMYDK-LDADJPATSA-N 480.567 4.588 10 40 JJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1OC 8819437 RTGKSXPEWCACMJ-ZHZULCJRSA-N 456.589 4.632 10 40 JJCB O=C(COc1ccc(Br)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 14128663 SFOFCVCJGSYJPZ-UHFFFAOYSA-N 470.706 4.895 10 40 JJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@@H](c2ccccc2)N2CCN(C)CC2)c1O 20412167 BXMSMIBGVCCJMZ-HSZRJFAPSA-N 475.614 4.830 10 40 JJCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 105437028 HRODFJUKEZEFEX-UHFFFAOYSA-N 486.037 4.698 10 40 JJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 220993988 XJOYTOUNPTUVEE-PXLXIMEGSA-N 472.566 4.804 10 40 JJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222944882 QDSMATHVHAGLCO-ZEQRLZLVSA-N 462.619 4.904 10 40 JJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2Br)cc1 408889523 DOTXCTFITCCQJY-AQTBWJFISA-N 495.304 4.834 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 408984502 RNGFZUIKHVAQQH-PDGQHHTCSA-N 465.849 4.737 10 40 JJCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 12032442 OWJRJINUCZBDGR-FOWTUZBSSA-N 460.650 4.665 10 40 JJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 14009376 FLHZJVJIGIPRGH-UCQKPKSFSA-N 461.493 4.503 10 40 JJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CNc2ccccc2)c2ccccc12 101350371 IDNAHYRVBUHDDL-NHVVDLMHSA-N 450.542 4.920 10 40 JJCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223609104 SMAIYGLKNSUZMA-FQEVSTJZSA-N 486.465 4.701 10 40 JJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C 223687678 CXQXEDKTRBFPBJ-RPBOFIJWSA-N 462.619 4.587 10 40 JJCB Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 408818213 PFDOWUVQKSZZOA-OEAKJJBVSA-N 469.541 4.968 10 40 JJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC 408822188 APFALCCAYVBIIE-HZHRSRAPSA-N 486.524 4.648 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 409002517 OEYRPXOHVRECSX-LFIBNONCSA-N 469.316 4.860 10 40 JJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 409357113 IVPWXVVNJZHZPT-GZTJUZNOSA-N 463.481 4.625 10 40 JJCB Cc1ccc(S(=O)(=O)Nc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc3c2O)cc1 948872 TXRGUYNHCZZWED-UHFFFAOYSA-N 482.583 4.764 10 40 JJCB CCCn1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)N=C2O)c2ccccc21 2379696 GBJNNTAYKMTQQV-HMMYKYKNSA-N 461.518 4.613 10 40 JJCB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 8440246 RFJBNWFBLALGGQ-JWGURIENSA-N 490.585 4.831 10 40 JJCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)S3)CC2)c1 8846760 KODGMYLLGUZELS-XQNSMLJCSA-N 474.542 4.956 10 40 JJCB COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(CNC(N)=O)cc4)n3)c2C)cc1 12608674 OOWCXHTUWWVYAB-UHFFFAOYSA-N 475.574 4.647 10 40 JJCB CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N12 20114740 YTIOQHYAUNVMJN-MKBIQDCJSA-N 476.992 4.950 10 40 JJCB Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1Br 49003884 DKMYAWGEMSRYIT-UHFFFAOYSA-N 481.799 4.800 10 40 JJCB CCc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414770 CRJUXXBANOISED-XPWALMASSA-N 485.923 4.598 10 40 JJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 107962155 OTNLRBAVHYFXOU-PXLXIMEGSA-N 487.537 4.568 10 40 JJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1O 223537563 GNNPICTZJMVRMY-LOSJGSFVSA-N 455.587 4.762 10 40 JJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 225518385 DQJOIXVPPMVDER-SVBPBHIXSA-N 497.624 4.801 10 40 JJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1 408785502 ZTMDDJPIBDXKOE-YBFXNURJSA-N 451.885 4.861 10 40 JJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(Cl)cc2)c1 408797559 GQXHSRWTGYEEIR-FYJGNVAPSA-N 476.916 4.902 10 40 JJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1O 409057682 QHKQXZJHVLPNJB-SXGWCWSVSA-N 497.379 4.715 10 40 JJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14406705 YURQGPYSKVNDCR-UYRXBGFRSA-N 456.882 4.914 10 40 JJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 225680111 LGTVJCBRYUDMSN-UHFFFAOYSA-N 465.619 4.880 10 40 JJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 257295555 QYVRXYSCDPGWAA-UHFFFAOYSA-N 456.873 4.885 10 40 JJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)cc1 408890827 ZUNAYRRYTYLDBC-XSFVSMFZSA-N 477.314 4.695 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 13549376 WDTFHDGDQVMFLB-CPNJWEJPSA-N 465.303 4.938 10 40 JJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)o1 13799075 QLEVVZUGQKKVTD-WQRHYEAKSA-N 496.273 4.797 10 40 JJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1C 16806247 OQIUCNXCCPVIPN-MOSHPQCFSA-N 479.583 4.532 10 40 JJCB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(C)=O 260790550 DABQVYOGTWXAOW-DLBZAZTESA-N 461.653 4.643 10 40 JJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1OCC 409218655 XBCOUPSAROQKOW-NTCAYCPXSA-N 463.317 4.847 10 40 JJCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCCOc2cccc(C)c2)SC1=S 2847975 VUMHCYIEPQYFIN-ZHZULCJRSA-N 458.561 4.972 10 40 JJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1 8453147 CSWFBAZXEOKBRZ-PXLXIMEGSA-N 492.959 4.966 10 40 JJCB Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(COc3ccccc3)SC2=NC1=O 41108052 RWALOQSXPXULCZ-QNPCYTEQSA-N 455.543 4.792 10 40 JJCB CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96114630 HRQRAFCZQVOBCG-INIZCTEOSA-N 474.465 4.805 10 40 JJCB biogenic CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCCC)c(OC)c3)C2=O)cc1 408900796 VCOUEJSIEXNLGF-PDGQHHTCSA-N 472.925 4.593 10 40 JJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 409018399 HFXUGYOEBCWZHW-GFQQVXNGSA-N 477.742 4.946 10 40 JJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCCC3)c12 409148630 ZZTKSGZJBKRDJC-XKZIYDEJSA-N 490.654 4.623 10 40 JJCB O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S)c1ccccc1 409177705 HXRMZYVSJMCOQJ-KGENOOAVSA-N 491.550 4.720 10 40 JJCB COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccccc1F 8868379 SISXJSDJFFFKLU-HYQOKDGDSA-N 478.427 4.595 10 40 JJCB O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1nc(-c2ccccc2)cs1 11847444 HRBGXQHLPVUWJC-YBFXNURJSA-N 495.607 4.769 10 40 JJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(O)c1 12378012 WFZVSWQAWADSNO-XKZIYDEJSA-N 492.578 4.824 10 40 JJCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(NC(C)=O)c2)cc1 17042969 JHXYFAOMDJSEPQ-UNCTUWKVSA-N 463.622 5.000 10 40 JJCB biogenic COc1ccc(-c2nnc(N/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)s2)cc1 103785094 WGAVXUGKEAJFKU-BOPFTXTBSA-N 470.352 4.695 10 40 JJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 223658902 OJYRKTDUSDMAIN-BJKOFHAPSA-N 483.037 4.987 10 40 JJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1 408809067 GMUXVYCXFSWOBB-RGVLZGJSSA-N 481.911 4.952 10 40 JJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 408872023 JEJRZCGZLPBWHN-UDWIEESQSA-N 495.304 4.551 10 40 JJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 408983898 OBANOAQOOHDKQR-MOSHPQCFSA-N 459.458 4.700 10 40 JJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=O)cc1 409234875 NOJPXOJBIQTNKP-QRVIBDJDSA-N 491.569 4.786 10 40 JJCB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 6177634 AZUUYNHYBXXORR-UHFFFAOYSA-N 461.434 4.938 10 40 JJCB Cc1ccc(C(C)C)c(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 13660791 RNHQPRAKAFZETP-KQWNVCNZSA-N 475.520 4.804 10 40 JJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)c1 20036442 FAGUBAKOHOWKCY-OEAKJJBVSA-N 456.546 4.551 10 40 JJCB C/C(NCCSCc1nc[nH]c1C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 20288214 COTNXVCZUAXPDP-XLNRJJMWSA-N 488.642 4.876 10 40 JJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F 41078361 OMYBSPQLXBRKCA-ZDNISJIOSA-N 455.873 4.907 10 40 JJCB O=C(C1=CN(c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2S1(=O)=O)N1CCCC1 49003802 YGCNSZSAKKJPIU-UHFFFAOYSA-N 456.873 4.748 10 40 JJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc21 208472197 CNNZZWLWCSTCBT-GIJQJNRQSA-N 453.901 4.777 10 40 JJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408778604 IJHCOADQSSSXMK-ONUIUJJFSA-N 496.563 4.567 10 40 JJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408883476 UTNOZTXBHDXXTD-UCQKPKSFSA-N 480.536 4.562 10 40 JJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)c1 408947468 QBPYWOJUERKGRX-RGVLZGJSSA-N 493.972 4.585 10 40 JJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3OC)C2=O)c1C 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C[C@H](C(=O)O)n1ccc2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)ccc21 409193723 LANWKYRGWJSBEX-GOSISDBHSA-N 479.492 4.870 10 40 JJCB CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 1783914 HYRPNEBHVZMXKI-NCELDCMTSA-N 456.542 4.903 10 40 JJCB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 9354899 PPYDWJPOFVMIFX-BPLOPXJWSA-N 481.595 4.694 10 40 JJCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 10434575 NJUFZNRJBJGOEK-ATVHPVEESA-N 476.601 4.552 10 40 JJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc(F)cc1 13025059 KDOYKVYJKUDXPK-AREMUKBSSA-N 491.563 4.702 10 40 JJCB CCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 26532136 NPKUFIZNSVQWBT-ZAODVUJUSA-N 470.664 4.568 10 40 JJCB COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 32594740 ZKNWVUAQSYNCBN-PDWGEAQMSA-N 480.549 4.839 10 40 JJCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C 33897294 YMHWZLXNZCTSBS-ANYROYSUSA-N 473.533 4.909 10 40 JJCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c(OC)c1 35043017 FCIKRACNSZEYDE-NDENLUEZSA-N 451.460 4.954 10 40 JJCB Cc1ccc(C2=NN3C(=N)/C(=C/c4c(C)nn(-c5ccccc5)c4Cl)C(=O)N=C3S2)cc1 41108000 GFFTWRFMWQXADQ-QDLOHUEYSA-N 460.950 4.810 10 40 JJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223271138 XISKFBREWHZWCN-SXOMAYOGSA-N 490.721 4.869 10 40 JJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1 408798915 JIDDTMRCXGNRHE-HYARGMPZSA-N 476.916 4.902 10 40 JJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)C1=O 409020930 VXKSHFUATNLUHI-VVSAQIQQSA-N 477.926 4.644 10 40 JJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3OC)C2=O)cc1 409099526 OCRXWNUNLGBXTA-HZHRSRAPSA-N 495.601 4.759 10 40 JJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 409369693 VXWCKIQHHCHUSA-MKMNVTDBSA-N 485.330 4.545 10 40 JJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 1476391 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CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S 26967217 DHUGPPDGACOIJP-RCBBPTIPSA-N 481.854 4.755 10 40 JJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc2ccccc12 223614148 UZQGUPFKDBGASL-UIOOFZCWSA-N 456.615 4.997 10 40 JJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1 409175311 ZCMZBUBOMPOHDG-XSFVSMFZSA-N 478.551 4.670 10 40 JJCB CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br 409327779 MTZNNNOHICIEIB-YBEGLDIGSA-N 496.839 4.715 10 40 JJCB