smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1I 3040833 GFINMJBPLJDTGO-LCYFTJDESA-N 469.076 3.515 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 8914769 NKFDGGIKRZSLNZ-SDXDJHTJSA-N 490.651 3.549 10 40 JHCB COCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 9374549 NMEGFEGCXBDWNN-KIHYJURLSA-N 486.663 3.723 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Cl)c1O 59336666 YVKPJMYDGLJWOI-IZZDOVSWSA-N 469.650 3.622 10 40 JHCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223206710 OECIELCEVGCEAB-CLJLJLNGSA-N 491.661 3.884 10 40 JHCB CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 408831251 ZGEBOPJTCGHLDS-FYJGNVAPSA-N 459.502 3.796 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccco4)n3-c3ccccc3)CC2)cc1 3555615 TYKYXCIHXOPGLH-UHFFFAOYSA-N 475.574 3.977 10 40 JHCB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cc(OC)c(OC)c(OC)c1)C3 9061246 APZFBXUFTAQERQ-UHFFFAOYSA-N 469.490 3.508 10 40 JHCB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 9139624 VJAINIMVTGYCNG-UHFFFAOYSA-N 468.918 3.618 10 40 JHCB CC(C)(C)OC(=O)C[C@@H](NCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12)C(=O)O 12296216 NLVYHRJWYJLFLS-QGZVFWFLSA-N 455.463 3.566 10 40 JHCB biogenic O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 59249785 VGDHPHXUDUZKGA-VZUCSPMQSA-N 485.732 3.942 10 40 JHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409231897 LROGFIRAUSUGFQ-DHDCSXOGSA-N 483.234 3.679 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1OC 8800171 NITAASMHSLICBP-HSZRJFAPSA-N 473.639 3.592 10 40 JHCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008134 WJJBONMWNSSADQ-HSZRJFAPSA-N 455.002 3.923 10 40 JHCB CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 26533826 ASIDIWADHCVTCW-QGOAFFKASA-N 455.381 3.974 10 40 JHCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)c1C 41083855 BOOFOEVDMNPFLD-OMLAYDHKSA-N 485.591 3.504 10 40 JHCB CCOc1ccc(S(=O)(=O)Nc2ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)cc1 8871928 UEKRIDQPWNLRDS-SFHVURJKSA-N 489.468 3.758 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 40221189 UDHBSCIZUSNPPL-VBKFSLOCSA-N 473.963 3.988 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223290711 YAKMNVBRDUKVOJ-BJKOFHAPSA-N 477.634 3.810 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 409228478 ZBJQUORLJKCGAR-VCHYOVAHSA-N 481.961 3.998 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC 409242576 OUNHDJJNLPKXSX-YRNVUSSQSA-N 481.755 3.951 10 40 JHCB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 409365332 YLJHSZRVESWBGU-BKUYFWCQSA-N 496.545 3.723 10 40 JHCB Cc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccccc1 9120483 HRYUQHMLKSGXOT-UHFFFAOYSA-N 458.518 3.687 10 40 JHCB COc1ccc(Cn2nnnc2[C@H](c2ccccc2F)N2CCN(c3ccc(OC)cc3)CC2)cc1 13505020 AGRCQKXZJMJPLX-SANMLTNESA-N 488.567 3.789 10 40 JHCB O=C(c1cc2ccccc2c(CN2CCN(c3cccc(Cl)c3)CC2)c1O)N1CCOCC1 16079669 JAHZZLCGILDRFB-UHFFFAOYSA-N 465.981 3.993 10 40 JHCB Cc1ccccc1Cn1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21 20205863 PFAUWHVKIURNQM-MHHBVAOCSA-N 477.571 3.619 10 40 JHCB COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 59135679 MKAQZOQKAAPGHH-OQLLNIDSSA-N 477.242 3.647 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]32)cc1 102650997 NXQMARQXTKBYIX-BDTNDASRSA-N 473.431 3.968 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223654932 XGGNQWGGJUQALB-DHIUTWEWSA-N 478.574 3.723 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 408894333 CCHPBCHPVXPRSX-UDWIEESQSA-N 462.893 3.513 10 40 JHCB Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 409260026 JLEOIXFWDDLSAQ-QNGOZBTKSA-N 471.538 3.844 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCN(c2ccccc2)CC1 9338319 NPPJXBHURUFQPG-UHFFFAOYSA-N 464.591 3.782 10 40 JHCB CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2sc3c(c2c1=O)CCC3 9669644 CCYKFUPELPDMJD-UHFFFAOYSA-N 498.674 3.806 10 40 JHCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1NS(=O)(=O)c1ccccc1 15986556 DMGRPZIUVKNGBN-GXDHUFHOSA-N 455.380 3.544 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 41084103 OTBYCBGRDMWPRU-FWPSJRISSA-N 488.978 3.930 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 44883322 SELYSMWHMMBCGB-UHFFFAOYSA-N 473.614 3.674 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 108120015 PYNSBCGCPHJWQW-NDENLUEZSA-N 459.458 3.952 10 40 JHCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1 408536993 YSQFXORTKSDHPX-MHWRWJLKSA-N 471.311 3.603 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@H]23)cc1 17118324 NXQMARQXTKBYIX-FDFHNCONSA-N 473.431 3.968 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 27016488 VVJABWDNAGICIY-CENUYRETSA-N 496.614 3.611 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccco1 408536528 RSZRSCFOWSXLMC-DTQAZKPQSA-N 476.441 3.573 10 40 JHCB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408667332 SQWKFVQJGFMUSE-XQBPLPMBSA-N 480.948 3.693 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc4ncccc4c3)c3nnnn3C(C)(C)C)CC2)cc1 1337530 GOVKENBJNVMCAB-DEOSSOPVSA-N 457.582 3.897 10 40 JHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008083 BMSUKBINUBSVJM-HSZRJFAPSA-N 455.002 3.923 10 40 JHCB CCOc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 59488117 QLTAFDRZXFSHQP-UHFFFAOYSA-N 470.488 3.504 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cc(C)cc(C)c1 408891984 WTOVOCZHGHAHMQ-UHFFFAOYSA-N 489.391 3.958 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 408942356 QKPUJEKGQJESJW-CPNJWEJPSA-N 460.417 3.769 10 40 JHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409064313 CNQYEDUFSPRZNQ-AGZSBTIMSA-N 459.480 3.609 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCSCC3)nc12 2276555 KIHUSUQUOXZMOC-LGMDPLHJSA-N 474.677 3.803 10 40 JHCB COc1ccc(-c2coc3c(CN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)c(O)ccc3c2=O)cc1 85387554 WKQHKMRCOFAVLC-PKOBYXMFSA-N 470.525 3.955 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 100324000 GRCNEYWMYYTEJQ-FDFHNCONSA-N 482.448 3.598 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 408767787 OGYSYFVBBDRPRQ-UDWIEESQSA-N 474.473 3.986 10 40 JHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409339839 ZHUXDZXYRXBEAX-RQZCQDPDSA-N 480.545 3.511 10 40 JHCB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100415697 GRFMIDRYNOVTIM-RJGXRXQPSA-N 467.477 3.780 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C(=O)N1 409053289 BTPLGBRRLOCQFO-UHFFFAOYSA-N 498.102 3.679 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 18061966 QXBFNCLYLHXWGK-RJGXRXQPSA-N 451.478 3.999 10 40 JHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 95276479 FOKRFVSDQSWXCD-CPNJWEJPSA-N 453.549 3.971 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2OC)cc1 408533516 JZDBYTIMDXDIHC-XSFVSMFZSA-N 486.480 3.898 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1O 409220862 GZJFUCOQNLZMTM-NTUHNPAUSA-N 461.337 3.611 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O 409046029 HYZDQXSYGOAFKA-MKMNVTDBSA-N 479.272 3.522 10 40 JHCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 409231640 DQEMJPLZDQJCPC-RQZCQDPDSA-N 467.934 3.607 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)S1 408758694 PHHUCFUCAYMMLC-MOSHPQCFSA-N 452.513 3.714 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409072389 NFYZXIBZXHTMTG-XMHGGMMESA-N 482.901 3.774 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 225590613 PGGVLZAUDDWUKS-QGZVFWFLSA-N 452.020 3.966 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)c2C)cc1 13141705 BWPVAWRYKOBSKQ-UHFFFAOYSA-N 496.585 3.927 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2400676 GCGOWJMBKYBOEW-LGMDPLHJSA-N 471.535 3.864 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4n(CCc4ccccc4)c3=O)CC2)cc1 9950659 DUJRHIDGKWXNGX-UHFFFAOYSA-N 496.611 3.929 10 40 JHCB CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107767109 NFSRJDMNAKLEEV-ZENNRRHLSA-N 460.284 3.996 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 260890371 CQGDLITZLOUGJI-UNMCSNQZSA-N 455.624 3.640 10 40 JHCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408527220 FMMXFPSUOJDRRS-KAMYIIQDSA-N 473.364 3.968 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNc2ccc(Cl)cc2)C1=O 408534097 UUSGCOXGLSWTBO-XNTDXEJSSA-N 463.719 3.748 10 40 JHCB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408757895 RWIYNWIOKIWALV-ODLFYWEKSA-N 465.853 3.717 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br 409242493 NYRZYICQOVPNIW-RIYZIHGNSA-N 475.364 3.914 10 40 JHCB CCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9574146 KJOCZOOOGKYKDL-UHFFFAOYSA-N 471.561 3.520 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(c3ccccc3)[C@H]3C=CS(=O)(=O)C3)c2C)cc1 16695207 WNAAQGCQHGUBPW-QFIPXVFZSA-N 494.569 3.603 10 40 JHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)c(OC)cc1Cl 408774234 BKULDGUVJZKANY-KPKJPENVSA-N 465.687 3.786 10 40 JHCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 408901885 IKILQZAOUSHUNZ-MHWRWJLKSA-N 476.270 3.649 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 409052959 FQTKKMCFJDEYBA-KZVLXBEFSA-N 491.588 3.538 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccccc1 409056762 NRABIZFLRSLMFW-YFORGORKSA-N 487.625 3.789 10 40 JHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 9332131 PCCDMSHXXOPQAM-CYVLTUHYSA-N 480.615 3.934 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)n1-c1ccccc1 9469623 IBLXLUINXVCZPT-MHZLTWQESA-N 473.529 3.905 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 43729133 LZBVGPLDMASHQE-WWQFTLRMSA-N 465.509 3.652 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59536176 GBNLBWPWVFTDSI-UHFFFAOYSA-N 455.681 3.984 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 95496450 WNOBUWCXKKCFJY-XPWALMASSA-N 467.477 3.699 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 107757147 BWJMBNQLYZOZCX-NDENLUEZSA-N 459.458 3.952 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 107824874 REJJRYUZYZQFNU-STZFKDTASA-N 458.470 3.824 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408946678 ZCAWMXUOVPKUSI-FYJGNVAPSA-N 461.405 3.979 10 40 JHCB COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c3c(C)noc3n2)cc1 36617462 HJGXKAKCFXHTIS-UHFFFAOYSA-N 458.518 3.973 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccc1Cl 214679664 OCKRVDJJGGCAFU-XDHOZWIPSA-N 459.955 3.643 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)cc(Br)cc3[N+](=O)[O-])C2=O)c(C)c1 408536422 WLTVMFHIRHAVPB-NTEUORMPSA-N 473.283 3.861 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2OC)cc1 408536918 UAKJHBUZPLZDRJ-KGENOOAVSA-N 486.480 3.898 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S)c1cccs1 409330026 JSFOESKAUJRGKK-GHXNOFRVSA-N 488.353 3.605 10 40 JHCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138127 SYIVJZVRVWCGNM-DEOSSOPVSA-N 464.610 3.668 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OC)cc3OC)C(=O)NC2=S)c1 16693229 NHDFJKDXBHVQLN-NVNXTCNLSA-N 491.363 3.696 10 40 JHCB COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 16732971 VNMARFLSJIKEIA-PDGQHHTCSA-N 466.588 3.925 10 40 JHCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1 20207267 VUGOQLVECUUFQN-GQZSXMDHSA-N 498.586 3.674 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1 108946726 GZDYXWXNOOHBIZ-HYARGMPZSA-N 489.459 3.518 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(C)cc1 408530262 DQCQYXKCVRGCSD-RTKWLQCYSA-N 474.513 3.873 10 40 JHCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408532145 SNLQAYYIWJNIIU-DHDCSXOGSA-N 479.377 3.964 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C1=O 408882238 OCIPXCSQOLEWFO-JWGURIENSA-N 490.537 3.992 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408891289 ODHPMBMBDZDKHF-RCCKNPSSSA-N 476.510 3.738 10 40 JHCB CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 6600660 UHNWRPFMPHSHRF-DJCXZETLSA-N 484.559 3.800 10 40 JHCB Cc1cc(I)cc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 8837737 AQKJTOBKTAHSBA-OAHLLOKOSA-N 455.321 3.784 10 40 JHCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNC3CCN(Cc4ccccc4)CC3)c2oc1=O 9183835 LJQVTQHVMLVLGO-UHFFFAOYSA-N 484.980 3.930 10 40 JHCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1C 10113316 WZPNWGBUVRAOLJ-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 13504798 WZOHXCRWMXHNGH-AREMUKBSSA-N 471.584 3.838 10 40 JHCB Cc1cc(-n2c(C)cc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])c2C)ccc1I 33694012 NIEYCWCGBWYOAO-QPJJXVBHSA-N 492.273 3.875 10 40 JHCB COC(=O)Cc1c(C)c2cc(CNC3CCN(Cc4ccccc4)CC3)c(O)c(C)c2oc1=O 57156125 DGNSGXHJABMKHV-UHFFFAOYSA-N 464.562 3.585 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223657641 HSUOQGBUAWWHGN-DNQXCXABSA-N 478.574 3.753 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225863348 AWFNXBUYFKZDKM-WOJBJXKFSA-N 487.666 3.992 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)c1 408849644 XXSSWZNFFWQGEE-XNTDXEJSSA-N 489.322 3.922 10 40 JHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)O)c(I)c1 408902837 RVOJZVLEUYUKQZ-OQLLNIDSSA-N 462.243 3.561 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1 409249936 JZMBHUAOBZPBKX-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 409267251 UGCMJCGIPQOQIH-UHFFFAOYSA-N 478.357 3.542 10 40 JHCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 409367739 KBZLAHQTKOIJTR-VIZOYTHASA-N 497.385 3.795 10 40 JHCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 9580704 LJFVQARCGWBPNU-XMMPIXPASA-N 474.473 3.931 10 40 JHCB COc1cc(/C=C2\C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)ccc1O 12467611 JMZXBSXQDDRMMT-AZAZKDLZSA-N 454.533 3.790 10 40 JHCB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1OC 13149543 CYTZNKUJAHGZPA-UHFFFAOYSA-N 493.899 3.606 10 40 JHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 59249980 IYXFAEPVQVWYMQ-FMIVXFBMSA-N 464.316 3.613 10 40 JHCB COc1ccc(N(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)Cc2ccccc2)cc1 12545820 XLWIMIDOVBBDBH-UHFFFAOYSA-N 467.591 3.899 10 40 JHCB COc1ccc(N2CCN(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)CC2)cc1 57293258 VYUNTDNTDDIZHX-UHFFFAOYSA-N 450.608 3.833 10 40 JHCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F 108119359 KWMUQSUDHJNLTL-AQTBWJFISA-N 465.868 3.958 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC(C)C 108926904 RPOVXSVVADHFAC-YVLHZVERSA-N 458.898 3.531 10 40 JHCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409083937 WTLOPUJGFGNHKK-WOJGMQOQSA-N 494.978 3.921 10 40 JHCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)o1 409103218 VHZNGPAWBUWRBA-LDADJPATSA-N 492.509 3.582 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccccc1F 409191709 LFSBXUFRWQNWGJ-LDADJPATSA-N 463.490 3.763 10 40 JHCB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1C 2637714 NTXZJTHSRPLOCI-UHFFFAOYSA-N 466.490 3.984 10 40 JHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1 11907939 BJJVWVVNARMKBX-VJBWXMMDSA-N 458.474 3.712 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 12543777 KCCBVIOJOMXTOR-VWLOTQADSA-N 463.465 3.612 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C)c1 13895825 IROPRLZQYGAFOO-UHFFFAOYSA-N 458.898 3.549 10 40 JHCB COc1ccc(N2CCN(C(=O)C3=NO[C@H](CNc4ncc(C(F)(F)F)cc4Cl)C3)CC2)cc1 20365894 BFTXQPDALYSEQY-KRWDZBQOSA-N 497.905 3.668 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223690980 IKOVEEOXFQCKMO-XZOQPEGZSA-N 478.574 3.723 10 40 JHCB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 260813123 PSSOGMDIPXNZQM-SFTDATJTSA-N 457.640 3.870 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)cc1 409012672 RFLFEQYLLQHRCT-LZYBPNLTSA-N 456.321 3.770 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)NC1=S 409174804 VFWOVWBQYAFLQP-NTEUORMPSA-N 460.939 3.976 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1O 409236770 HEPNOHCGCCDAGK-LFYBBSHMSA-N 481.755 3.956 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N(CCO)Cc1ccccc1 2333327 PCCCANFYGSCTLQ-RGEXLXHISA-N 461.008 3.952 10 40 JHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1CCN(c2ccccc2)CC1 8819250 FLPQVEUXPBKCGV-CAPFRKAQSA-N 455.580 3.766 10 40 JHCB Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3 9547209 GGZBTOBBERZBLB-NRFANRHFSA-N 488.327 3.543 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(NC(=O)C(C)C)c3)CC2)cc1 224402722 MVYWQNJLMZDSOC-UHFFFAOYSA-N 463.625 3.523 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 225142844 GQEORXHIGVWQNQ-OAQYLSRUSA-N 450.004 3.656 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)N2 408736237 NDGGBQZSALSMAK-UFPGJGBJSA-N 462.546 3.927 10 40 JHCB Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)c1C 409258495 VGAKVVOTOYOLID-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)c3c(C)nc(-c4cccs4)nc3SC)CC2)cc1 32905949 GWSNCRNESLCGOQ-UHFFFAOYSA-N 498.630 3.750 10 40 JHCB COc1ccc(NC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)cc1 49006799 JECNMQILUVSBPF-UHFFFAOYSA-N 465.579 3.551 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(OC)cc(OC)c4)ncn3)CC2)cc1 49006808 PPZURFDVBCMANV-UHFFFAOYSA-N 495.605 3.560 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 169694788 JLYNNJFGIDTPQX-YPAWHYETSA-N 455.441 3.829 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 223705953 RYSAWPCOKJTESW-HXUWFJFHSA-N 487.666 3.992 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC 408723438 UTTNYMGBDMWYKS-AWNIVKPZSA-N 481.755 3.951 10 40 JHCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c1C 409259607 BHWZPEISUKAGMI-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB O=C(O)c1cccc(/N=N/c2c(S(=O)(=O)O)ccc3c2C(=O)c2ccccc2C3=O)c1O 3954370 SGZIPXUJJLQYDT-GHVJWSGMSA-N 452.400 3.528 10 40 JHCB in-vitro COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1OC 13756422 DNENMPQCGGKATE-TZRRMPRUSA-N 497.503 3.707 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21)N1CCCC1 27549091 ILLYSKQUTIVMBZ-QGOAFFKASA-N 460.465 3.910 10 40 JHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Br)cc3C)C2=O)c1 408527426 FRNDZLFIWTVKOB-XNTDXEJSSA-N 471.311 3.663 10 40 JHCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409214280 WMFFBPPXPWLHSN-MTJSOVHGSA-N 477.452 3.673 10 40 JHCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@@H]12 409295758 RKXCSNOAPSFUOK-SAZLRWBQSA-N 489.484 3.676 10 40 JHCB CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)SC1=S 409332705 REEMFPNVDZZFET-LICLKQGHSA-N 464.546 3.892 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Br)c1OCC(=O)O 33456023 KZQBYMDPCQPMRI-ZSOIEALJSA-N 489.278 3.818 10 40 JHCB COC(=O)C[C@@H](c1ccsc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115205 IVFHUVCBYHVKAA-LBPRGKRZSA-N 470.455 3.745 10 40 JHCB biogenic O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1F 100582720 ZPXFEUIGIUOARN-PCCBWWKXSA-N 459.404 3.660 10 40 JHCB COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc(C(=O)OC)c1 103917385 GXWIFFPLTCPMTI-UNOMPAQXSA-N 464.503 3.978 10 40 JHCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)cc2)C1 223188496 JPWIXXVTBNZJJQ-INIZCTEOSA-N 471.608 3.505 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273587 ALCSJVLULWYCOH-DNQXCXABSA-N 494.621 3.940 10 40 JHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)N(c2ccccc2)C1=O 409008983 AWZIMVNXMJQIFO-JWGURIENSA-N 458.518 3.823 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 409094700 FKMBVFPVNUYKTF-WSDLNYQXSA-N 473.489 3.842 10 40 JHCB COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 1642505702 VJUFZJYASJULQO-OAHLLOKOSA-N 458.511 3.662 10 40 JHCB O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2356677 XOAWWCGRIHJJIG-JXAWBTAJSA-N 480.640 3.649 10 40 JHCB COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc(OC)c1OC 8834383 QADXNXPLCPDHQU-ZHZULCJRSA-N 457.527 3.644 10 40 JHCB C[C@H](OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 13098421 MOQWKQZKGBFNLL-NRFANRHFSA-N 484.552 3.642 10 40 JHCB COc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(OC)cc3)CC2)cc1 33292920 NHJSTAZJEONCEA-UHFFFAOYSA-N 465.579 3.551 10 40 JHCB NC(=O)Cn1cc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc21 34859657 AUQUJFLFGNRLQZ-MFOYZWKCSA-N 455.337 3.972 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 41083853 DRYQNBFXUTZFIW-PZDWWLKRSA-N 475.983 3.759 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1O 408854580 IVDUGWFLQVXPDN-OVCLIPMQSA-N 459.296 3.837 10 40 JHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)cc1 1201767 GZNXVPJIYWBSJV-VIZOYTHASA-N 457.280 3.968 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 1808565 MKZSWERHRMIAFR-UYRXBGFRSA-N 452.463 3.527 10 40 JHCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 9892472 FITWXNWTDYGKMD-PXLXIMEGSA-N 486.528 3.569 10 40 JHCB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13673167 VBDIKBYLARUWRK-UHFFFAOYSA-N 497.592 3.559 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc(C)c2)c1 408810701 UPAXXXANYXCSSS-LPYMAVHISA-N 458.470 3.955 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 408918749 OPQVNXYMZBXEMN-OVCLIPMQSA-N 493.354 3.822 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1 409069913 BNIPEPJNFSGCNW-HYARGMPZSA-N 472.453 3.639 10 40 JHCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 8820481 OEZAPANOYQMCRS-DFBITEFZSA-N 454.529 3.877 10 40 JHCB CCOC(=O)c1c(C)sc(-c2c(-c3ccc(Cl)s3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 12413800 MWVIFSRGLYSFSN-UHFFFAOYSA-N 451.913 3.846 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=N)N21 20207263 NSQXGJUUSOZMGY-BIWIXZEJSA-N 468.560 3.665 10 40 JHCB CCOc1cc(/C=C2/N=C(c3ccc(-n4c(C)ccc4C)cc3)OC2=O)ccc1OCC(N)=O 96635224 DLQJVVOUOKJJHK-FYJGNVAPSA-N 459.502 3.701 10 40 JHCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409143860 NSVNJKVBKSYCAP-MOSHPQCFSA-N 469.538 3.954 10 40 JHCB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409206284 SUWBAMOUZAVYDV-CXUHLZMHSA-N 481.393 3.957 10 40 JHCB COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504945 IMXBEPXBTAYAFK-MHZLTWQESA-N 484.604 3.959 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223692900 DIVRUXUNCAFCAF-ZEQRLZLVSA-N 478.574 3.753 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223707733 ZCACPYZRLDFJLY-DNQXCXABSA-N 492.601 3.811 10 40 JHCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 260838944 FPYUUTTYBXWPQX-OALUTQOASA-N 459.612 3.717 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)NC1=S 408744110 YSENQJYRMARBKI-SDQBBNPISA-N 496.726 3.856 10 40 JHCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408781252 BKYIAGBIFVOQNM-UYRXBGFRSA-N 452.482 3.606 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@H]1CCCO1 409141130 UGVMICVVYADUMI-BYINCCNUSA-N 481.599 3.931 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 1170684 JLWSSUKYVCSRAD-ULJHMMPZSA-N 486.597 3.762 10 40 JHCB Cc1c(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c(=O)n(-c2ccccc2)n1C 8870016 QVAUWPSYGMFVAS-QGOAFFKASA-N 464.572 3.568 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccccc1 9129337 QBENRZVJQIKOMV-AREMUKBSSA-N 459.502 3.515 10 40 JHCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(NC(=O)C(C)C)cc34)CC2)cc1 36357049 ZQVQFTMZWCGXCG-QHCPKHFHSA-N 450.539 3.719 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]23)cc1 100675467 DXCMTIXTNZQAPA-RJGXRXQPSA-N 469.468 3.825 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 408777621 DMSYXHKDCAFTPX-KGENOOAVSA-N 457.486 3.856 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408879411 GBVUKXMWIVFJMN-RCCKNPSSSA-N 476.510 3.738 10 40 JHCB COc1ccc(Br)cc1S(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 12541809 NVOFYYHZRJQWMJ-SECBINFHSA-N 459.387 3.544 10 40 JHCB Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463335 SHQYJUCIRSKPHY-UHFFFAOYSA-N 452.561 3.660 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc(I)c1O 34222861 LJSHBLLBEUVZAB-QPEQYQDCSA-N 478.242 3.821 10 40 JHCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(S(=O)(=O)O)cc4)C3=O)n2)cc1 100510863 XIRKDQJUSOVWBL-KGNHYALCSA-N 471.520 3.940 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@H]3C2=O)c1 102782616 PMFCFDUUWAOEOT-RTAAPDIRSA-N 495.535 3.698 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1C 108041878 WBYGBHPOVVJYQA-RGVLZGJSSA-N 484.534 3.670 10 40 JHCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409107985 UTGBSWYUXXALOE-ZHZULCJRSA-N 451.548 3.815 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(Br)c1 12942704 RAUYFIBETHOTBT-UHFFFAOYSA-N 453.767 3.583 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 16914456 BJZKDNHTHKWDLK-VWLOTQADSA-N 472.589 3.775 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18180009 FUSHGSHDLUSJRB-BHIFYINESA-N 455.441 3.829 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 41084023 OSPVWXMUWNFVAH-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(=O)O)c1 223619050 OJQIOCYQMVKTRO-VXKWHMMOSA-N 450.564 3.542 10 40 JHCB C[C@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 260838939 FPTUTHOXAQVMRE-LSDHHAIUSA-N 465.645 3.799 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 408819517 ZDWSXHVQNLLYBA-OQLLNIDSSA-N 474.267 3.813 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cc(C)cc(C)c1 408894884 KXPQTQCLCZPQQB-UHFFFAOYSA-N 473.323 3.793 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccccc1 408903080 OUBNRUHUGNDKTC-XSFVSMFZSA-N 489.459 3.518 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Br)cc1 408910232 JTHSHIZPBFEBMR-MHWRWJLKSA-N 475.364 3.683 10 40 JHCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 9933362 NSQXHUMHTBXBGY-DHDCSXOGSA-N 461.293 3.584 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 19877633 XPBZGPXIGORBIQ-GZTJUZNOSA-N 467.434 3.834 10 40 JHCB COc1cc(C)ccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 41084760 JGBMKTZYXPWABP-WWCJOAGCSA-N 492.605 3.947 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 102470684 UGXAZLCLOTZGJV-ZQCYNNBZSA-N 490.589 3.734 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(=O)O 223618713 BEIZUQXILSGOGP-FGZHOGPDSA-N 450.564 3.542 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(O)c1 408739950 BZOOIGPCNGBVMD-LICLKQGHSA-N 474.380 3.832 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c(OC)c1 409099632 SLQXWTGQHQLQFY-WJDWOHSUSA-N 479.470 3.703 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 2185132 CVAXDOCCWPRNON-UHFFFAOYSA-N 472.925 3.857 10 40 JHCB O=S(=O)(c1ccc(NC(=S)NNc2c(Cl)cc(Cl)cc2Cl)cc1)N1CCOCC1 3316401 RLKWCSUIKJSRJQ-UHFFFAOYSA-N 495.841 3.981 10 40 JHCB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 9349013 VOZNGXZWDJYXHF-CTDFXDFQSA-N 471.344 3.839 10 40 JHCB COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(=O)Cc4ccccc4)cc3)CC2)cc1 31689549 BKXDQYYAMHTMLR-VWLOTQADSA-N 460.574 3.683 10 40 JHCB COC(=O)C[C@H](c1ccc(F)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96222374 KTQUUMDHURNNDU-CQSZACIVSA-N 482.416 3.822 10 40 JHCB biogenic CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 408945504 WOAZXKCXSPJNBX-LFIBNONCSA-N 474.267 3.813 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1 4001749 ZZXYDUGSSGIMAF-UHFFFAOYSA-N 469.538 3.598 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnnn2-c2cccc(Cl)c2)cc1 12640309 ZDTPSMMZNSSIQU-OAQYLSRUSA-N 487.029 3.682 10 40 JHCB O=C1c2ccccc2C(=O)c2c(O)c(-c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)cc(O)c21 12655867 MGZDNCWJINYJFH-UHFFFAOYSA-N 478.412 3.727 10 40 JHCB biogenic CC(C)CCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 13505353 SCYQCNKNTMPDAJ-DEOSSOPVSA-N 451.594 3.836 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc(C)c([N+](=O)[O-])cc3C)C2=O)ccc1Br 408526431 BHSKUKIDXCPHGI-NTEUORMPSA-N 473.283 3.861 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)N(c2ccccc2)C1=O 409020613 RCBICBFESUDTRS-HKWRFOASSA-N 491.456 3.889 10 40 JHCB COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S 409166352 FCMATOPEAZRDRU-UYRXBGFRSA-N 476.514 3.842 10 40 JHCB Cc1cc(C)n(CCNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)n1 1565524891 WCTPIMIUGFKISB-MUUNZHRXSA-N 496.615 3.808 10 40 JHCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N(CCO)Cc1ccccc1 8911463 PCCCANFYGSCTLQ-XMHGGMMESA-N 461.008 3.952 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(OC)c3)C2=O)cc1 8983618 SVIRNCDJIBZIFO-JWGURIENSA-N 488.496 3.828 10 40 JHCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 9259929 ASRCJJVMOOCOOQ-UHFFFAOYSA-N 462.487 3.903 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 13673939 CQIYAWGJFWWIEY-UHFFFAOYSA-N 469.529 3.778 10 40 JHCB CCOC(=O)c1ccc(OCc2noc3c(CN4CCC[C@@H](C(=O)O)C4)c(O)ccc23)cc1 94993352 KTDNFPMWXMQFMA-MRXNPFEDSA-N 454.479 3.586 10 40 JHCB COc1ccc(N2CCN(C(=O)CN3C(=O)[C@@H]4CCCC4=Nc4cc(C)c(C)cc43)CC2)cc1 101945594 SPHJGPVYTTZQLD-JOCHJYFZSA-N 460.578 3.880 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(=O)O)c1 223270535 RMVUYLMGHRMRDJ-GOTSBHOMSA-N 463.607 3.721 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408799979 MHHVZUSPQMGLNL-FYJGNVAPSA-N 459.414 3.546 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504830 LVGGCVPXSBMEDW-SANMLTNESA-N 488.567 3.789 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 16914451 BJZKDNHTHKWDLK-RUZDIDTESA-N 472.589 3.775 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 16914769 JGAJLVSVRBNXCN-AREMUKBSSA-N 482.625 3.734 10 40 JHCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)N=C2S1 41085260 VDRYRZDYRZTJAK-FIUAZEGQSA-N 496.570 3.553 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)C1 225539391 RSKAUUYXGZKVRE-TZIWHRDSSA-N 473.614 3.779 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3Cl)C2=O)c1 408851370 YBHMSVAKFUIFSI-OQLLNIDSSA-N 474.897 3.821 10 40 JHCB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 408983937 ORLAGOYLIADAND-NSIKDUERSA-N 493.299 3.529 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 409098594 PIWKKVJLUBMZNO-CPNJWEJPSA-N 484.350 3.569 10 40 JHCB COc1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)[nH]c3ccccc34)CC2)cc1 12844745 MHCGPYYACZBJCO-UHFFFAOYSA-N 451.548 3.542 10 40 JHCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 13574543 LTUIFKAKEFTWBL-HRXHUYTNSA-N 478.530 3.888 10 40 JHCB O=C(/C=C/[C@@H]1CC=CCC1)Oc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 13800511 IMPCYPFETZEDOE-ZBGOOHOQSA-N 489.640 3.893 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(CCc4ccccc4)C(=O)[C@@H]23)cc1 18180781 YZLMQFDOSNTTNR-TZRRMPRUSA-N 465.505 3.728 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 33720787 OQSGCCUQCBUVOM-UYRXBGFRSA-N 460.402 3.543 10 40 JHCB COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1OC 35040730 PDTHIWVRNIJQIJ-XDHOZWIPSA-N 461.561 3.871 10 40 JHCB O=C(O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59136023 BWMQVWZDZGLWHA-YRNVUSSQSA-N 479.283 3.723 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223707279 GPWIJQQEOZMSAX-XZOQPEGZSA-N 450.564 3.725 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)N(c2ccccc2)C1=O 409013106 SSWHQYBWMCZZII-PGMHBOJBSA-N 474.469 3.758 10 40 JHCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 8820675 IBFFIKOTIRTAGU-LDFNIPPCSA-N 454.529 3.877 10 40 JHCB Cc1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCO2 9411885 TVKLQZSIHGHLSD-DHZHZOJOSA-N 456.502 3.731 10 40 JHCB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 10113383 XIBRLFIRKDFCOZ-UHFFFAOYSA-N 479.602 3.587 10 40 JHCB Cc1nc2sc(C(=O)OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)c(C)c2c(=O)[nH]1 16097235 DWYLEZWPRRQERR-UHFFFAOYSA-N 493.541 3.820 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccc(OC(F)F)cc1 22525171 HSORPDMUYOGLJI-CQSZACIVSA-N 450.482 3.972 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 40221256 MVGOSZHUHIVTJK-LGMDPLHJSA-N 453.545 3.643 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1 41077727 OURAXHVTNUAKOB-JMPIQFJJSA-N 480.980 3.847 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)cc1 101098333 WCCKDZFDMXUZSR-DNVJHFABSA-N 467.477 3.699 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621554 RCZMSBILVKHIPW-DHIUTWEWSA-N 481.578 3.761 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 408819157 YJXWLDRMNZWOKM-KGENOOAVSA-N 458.470 3.949 10 40 JHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408865563 BFQUSEGVECCFNR-MYYYXRDXSA-N 497.551 3.650 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)c([N+](=O)[O-])c1 408913014 JOUSIXNVBOTENY-VXLYETTFSA-N 478.436 3.816 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC 409143352 MZSDTIRBKHHCQZ-ZSOIEALJSA-N 475.364 3.914 10 40 JHCB COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504909 NXZAJLOBQDMUPW-DEOSSOPVSA-N 450.587 3.648 10 40 JHCB CCN1C(=O)/C(=C\c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)SC1=S 59514311 ZLZMBFVMDHRIAK-FRKPEAEDSA-N 459.461 3.943 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc2c(c1)CCC2 95927157 ZMQDTOMTQYCGIO-JAIQZWGSSA-N 452.557 3.535 10 40 JHCB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221241 XNSFJGCTDFIGNW-HNNXBMFYSA-N 478.453 3.986 10 40 JHCB biogenic COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N1C(=O)CCC1=O 224889472 IMMMAGYKULIIDE-SFHVURJKSA-N 485.606 3.624 10 40 JHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)SC1=S 256055471 IALMLFMQUBNHOE-HZQOKBKYSA-N 469.588 3.933 10 40 JHCB CCN1C(=O)/C(=C/c2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2286802 VPQIZSSQFCQZRP-AQTBWJFISA-N 450.589 3.860 10 40 JHCB Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccc2c(c1)CCC2 9847394 WVHKGDUSGFAAKI-QGZVFWFLSA-N 485.631 3.918 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCc3ccccc32)cc1 10188437 KKAXZZCHSODUCY-DEOSSOPVSA-N 473.533 3.520 10 40 JHCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCCN2CCOCC2)cc1 20288706 UXPXEZRQALBZRH-NKFKGCMQSA-N 491.617 3.642 10 40 JHCB O=C1N=C(S)N(c2ccc(Cl)cc2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1 103093674 NCPGPVLZLPCKSV-ZHZULCJRSA-N 454.983 3.637 10 40 JHCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)n1-c1ccccc1 223206510 RFICFJIWIGPSFP-RPBOFIJWSA-N 461.635 3.876 10 40 JHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408912499 HNKFNUGNIGCKHC-UDWIEESQSA-N 461.405 3.979 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3[nH]c4ccccc4c3CCNC(C)=O)C(O)=NC2=S)cc1 2157352 NEVSRPHCKIOTQF-UYRXBGFRSA-N 462.531 3.527 10 40 JHCB biogenic COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 9423466 TWBKWBNZKVXQSH-UHFFFAOYSA-N 453.451 3.961 10 40 JHCB O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)c1ccc(F)cc1 28629060 XTJIYMLZWMRODP-ZSOIEALJSA-N 453.314 3.840 10 40 JHCB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c(C)n1-c1ccccc1F 29894540 KSOMNEFLHMMPID-UHFFFAOYSA-N 454.527 3.956 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1 33397412 XCYOCGFKGMMHSW-ODLFYWEKSA-N 463.421 3.783 10 40 JHCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123957 VHIANUFVZUUAJJ-XZSMOWGESA-N 472.552 3.636 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1OC 10188445 BPRXTMYPVAJWFS-DEOSSOPVSA-N 488.588 3.629 10 40 JHCB CCCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13424036 LLOYNBZFLWBEDU-OKSBFYSISA-N 472.636 3.619 10 40 JHCB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13670035 GIZXOMVWZULJHB-QGZVFWFLSA-N 450.004 3.720 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)ccc1OCC(=O)O 22536194 ZSYIUWBELHDKHF-LICLKQGHSA-N 454.504 3.954 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(Br)cc1OCC(=O)O 59135256 ZTJFLANXJPSDFM-AWNIVKPZSA-N 493.241 3.567 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc(Br)cc1 98002882 GTUYHAGPWOSRFR-YVLHZVERSA-N 491.388 3.809 10 40 JHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(C(=O)O)cc2)SC1=S 256028153 WMNZLJRWPHYJAE-GFWHJHDHSA-N 456.545 3.673 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)cc1 408777976 NJAXGYLJDDPNAV-HYARGMPZSA-N 488.521 3.804 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 409105780 KLFHLEWSRHOUSN-XDHOZWIPSA-N 465.575 3.752 10 40 JHCB O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]2C(=O)N1c1ccc(F)cc1 13554555 DXSRGCQCCJDVEK-KVOKEACQSA-N 499.498 3.529 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCCC1CCN(Cc2ccccc2)CC1 20622896 GUBPPVKQOUWEII-JWGURIENSA-N 466.969 3.699 10 40 JHCB O=C1N=C(O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccc(Br)cc1 59198137 SCUNHVKNGAFIFL-XGICHPGQSA-N 460.196 3.593 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 409042579 NNYLJLCMWXJSII-CJLVFECKSA-N 485.496 3.769 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(OC)c1O 409344737 GTKVKUNFKBZDKT-OQLLNIDSSA-N 450.925 3.609 10 40 JHCB CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O 3656725 PWRLVEWXQPTLBZ-GOSISDBHSA-N 496.463 3.908 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 8738910 OPIGFILVUYUDDW-QNPCYTEQSA-N 473.558 3.897 10 40 JHCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3c(OC)cccc32)S1 9926595 ZYVDPJYPOAMEFO-UHFFFAOYSA-N 479.601 3.916 10 40 JHCB O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccc1C(=O)O 11866663 NVTHDMPRIBKWLW-OQLLNIDSSA-N 477.361 3.987 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 13940718 DYVCLWVQXAJUGL-UHFFFAOYSA-N 452.507 3.594 10 40 JHCB O=C1/C(=C/c2ccccc2I)SC(=S)N1C(=O)c1ccncc1 16448974 GDAPKWMTXLIDSM-LCYFTJDESA-N 452.298 3.728 10 40 JHCB O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1C(=O)c1cccnc1 32132628 GZITZRJLFJWUHM-MDWZMJQESA-N 452.298 3.728 10 40 JHCB COc1ccc(-c2nc(C)cc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 67257701 RLNVFIITIFQQMM-UHFFFAOYSA-N 464.591 3.910 10 40 JHCB COc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100415109 ZZTCOTPBMLVNSE-TZRRMPRUSA-N 481.504 3.694 10 40 JHCB COC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408902233 MISDGSYQMOONQW-CXUHLZMHSA-N 459.296 3.816 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)C(=O)NC2=S)cc1 409200635 ISJNHUYUEJPFFV-DEDYPNTBSA-N 459.527 3.932 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCSCC3)nc12 2343106 OZYPOJCGFGGYJT-ATVHPVEESA-N 484.628 3.551 10 40 JHCB CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12)c1ccc2c(c1)OCO2 2410510 PMLFQQUAFSKOJQ-UHFFFAOYSA-N 474.311 3.911 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 409102288 RMVOABFDZQCWJJ-LICLKQGHSA-N 471.966 3.789 10 40 JHCB COc1ccc2c3c(n(CCc4nc(-c5cccnc5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604405275 YHMFPMUTLOWRAZ-UHFFFAOYSA-N 480.480 3.918 10 40 JHCB biogenic COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC 8735651 GUMNWVBKHOKOMR-XLNRJJMWSA-N 497.642 3.644 10 40 JHCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1C 10113376 YDZNXNWXTRRJAM-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)c(C)c1 32990798 DMDZURCOOQJKSO-UHFFFAOYSA-N 451.592 3.858 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 34115059 ZLPDFOZLOKQVSV-ZFGGDYGUSA-N 468.575 3.711 10 40 JHCB CCc1cccc2c(C=C3C(=O)N(CC)C(=S)N(CC)C3=O)cn(CC(=O)NC3CCCC3)c12 98086692 HDLDLJVQDSWUNH-UHFFFAOYSA-N 480.634 3.641 10 40 JHCB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 223269833 DDQRMNWEEBJRNR-BWAHOGKJSA-N 474.630 3.896 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc4ncccc4c3)c3nnnn3C(C)(C)C)CC2)cc1 1337528 GOVKENBJNVMCAB-XMMPIXPASA-N 457.582 3.897 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c1 409193756 LLCJSEVINYFSJY-MTJSOVHGSA-N 475.526 3.632 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC 409237722 LEHSPKHMINVZEN-OQLLNIDSSA-N 450.438 3.944 10 40 JHCB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 32124622 BGAUMTDABVGDAZ-CXUHLZMHSA-N 463.518 3.993 10 40 JHCB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 260759362 AWGICEOTMBIAGE-GOSISDBHSA-N 461.653 3.897 10 40 JHCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408805704 CCDOTWPBIBRGCI-OQLLNIDSSA-N 475.295 3.619 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408913519 LNHBUSYPEGQNLM-VXLYETTFSA-N 478.436 3.816 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 409056757 NRABIZFLRSLMFW-UWFGVWCKSA-N 487.625 3.789 10 40 JHCB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 8800163 JLKUOZDYPAZFHW-HSZRJFAPSA-N 473.639 3.592 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59139769 PXOWPMXEWYDITM-UHFFFAOYSA-N 488.949 3.615 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 102477415 SBJPGCMEQJCVSB-ZQCYNNBZSA-N 474.590 3.785 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223290855 FFLRCYAIHCCGLW-DNQXCXABSA-N 477.634 3.810 10 40 JHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 409390323 DZEOGOMJDYADIW-FYJGNVAPSA-N 467.441 3.659 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCCC3)ccc21 9138300 IUZBUOKKEALKKV-QHCPKHFHSA-N 456.537 3.629 10 40 JHCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(O)c(O)c2)c1 21659041 KBMIKGSUKOFFDC-QHCPKHFHSA-N 480.524 3.929 10 40 JHCB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 224870261 FPYUUTTYBXWPQX-RTBURBONSA-N 459.612 3.717 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)cc3O)C2=O)ccc1Br 408760439 YQXXPQQLHKDYBX-VZUCSPMQSA-N 496.111 3.598 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 408798516 FUAFYKMSEWNAFE-LFIBNONCSA-N 459.296 3.913 10 40 JHCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 8875164 XRCXMFYTHBKHPM-JXAWBTAJSA-N 473.323 3.873 10 40 JHCB COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 16226485 HJWVQHGISXYESW-ZROIWOOFSA-N 451.729 3.942 10 40 JHCB O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 32936618 DIUBYEJVUSTSHT-UHFFFAOYSA-N 477.314 3.983 10 40 JHCB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)OC3(CCCCC3)OC2=O)C1 59489875 ZLWVSLUQVLSZTI-SFHVURJKSA-N 499.564 3.823 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 223486934 APJYDBWFBPWMQJ-INIZCTEOSA-N 468.019 3.666 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 408953214 PCRBYODMYAKDPS-VCHYOVAHSA-N 487.424 3.569 10 40 JHCB CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C(=O)N(CC)C1=S 5947763 YXPFGEXYKOMRFV-UHFFFAOYSA-N 459.955 3.825 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCCC3)ccc21 9138055 CLOUPTMQQKXQJQ-DEOSSOPVSA-N 469.029 3.682 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1C 41084410 XDKSIXOVKUYYMS-GDJNFKMVSA-N 462.579 3.620 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccccc3)CC2)cc1 57015906 IFHDQENOIOFWNT-YADARESESA-N 471.648 3.987 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223604897 QOOSGHYEXVIPGJ-FTJBHMTQSA-N 491.661 3.681 10 40 JHCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 408743017 YNEUYRVIFFJIMV-KPKJPENVSA-N 480.112 3.887 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 408867844 OCDWAPVVPCYJOA-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1Br 408886914 JVEKNPGDMJWKGX-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 408903635 VCWFSDJGTHAMGR-DEDYPNTBSA-N 477.423 3.649 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Oc1nc(Cl)ncc1F 409004180 ONIGQEQGVCKUDS-NTEUORMPSA-N 468.828 3.736 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 409107898 XVAPQVHEDPHULG-FOWTUZBSSA-N 476.385 3.970 10 40 JHCB COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 8871600 WAPWGGUKXVAIQG-CPNJWEJPSA-N 488.587 3.951 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccc(OC)c3)c3sc4nc(C)nn4c3O)CC2)cc1 23157929 CMHPAIFESAKEAP-OAQYLSRUSA-N 465.579 3.734 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223014343 QFRDSLDXIDMHOL-PKTZIBPZSA-N 450.564 3.837 10 40 JHCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223142722 CQMACFKSPZQZOU-IZZNHLLZSA-N 491.661 3.802 10 40 JHCB CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 408869055 RBRTYPRROCCYKQ-ZROIWOOFSA-N 461.337 3.688 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@H]1CCCO1 409194254 IUPPIVSFCLWTCS-HDAJJNEKSA-N 488.407 3.878 10 40 JHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O 8819312 QQYKDESDUIXREJ-YVLHZVERSA-N 459.505 3.539 10 40 JHCB O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 20462165 SRMDTIIGNZBGNS-HVVQPJKBSA-N 472.931 3.572 10 40 JHCB CCOC(=O)[C@@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35352221 RAKUDVIKKXKPBG-YUSFRKCESA-N 493.741 3.894 10 40 JHCB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225952137 OQPHJFUGJIIPIO-FQEVSTJZSA-N 495.697 3.636 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccccc1 408538002 YIQBPTUGWFXOKH-KGENOOAVSA-N 486.480 3.980 10 40 JHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(Br)o1 408952647 MBPWSMFOKLJLCS-BJMVGYQFSA-N 458.037 3.610 10 40 JHCB O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1 409254257 YNKIGINZTIMKON-QNGOZBTKSA-N 457.511 3.535 10 40 JHCB CCCCCCN1C(=O)NC(=O)/C(=C/c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C1=O 8964908 QGGDNCUFYVGABC-QNGOZBTKSA-N 477.561 3.842 10 40 JHCB biogenic COc1ccc(N2CCN(C(=O)c3cn(-c4cc(-c5nc(C(C)(C)C)no5)ccn4)cn3)CC2)cc1 71768238 MMXVLSQYLFBSSY-UHFFFAOYSA-N 487.564 3.586 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc([N+](=O)[O-])cc2)OC32C(=O)c3ccccc3C2=O)cc1 101130256 ATTNVRVIUGFYAF-YPAWHYETSA-N 482.448 3.598 10 40 JHCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C 104123664 SPKMDSSTYIISGD-FTGFMQHASA-N 457.537 3.932 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1F 223139946 WDDFQHXEXHVLSN-LOSJGSFVSA-N 479.625 3.933 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 409165949 BJIUNUJAMWZZLH-XSFVSMFZSA-N 461.543 3.943 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCC3)ccc21 9135586 BOMSTQVCLNAOSH-QFIPXVFZSA-N 458.965 3.753 10 40 JHCB COc1ccc(OCCOc2ccc(OC)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 9731154 XSYFQPYAAIPMHX-HAVVHWLPSA-N 460.486 3.623 10 40 JHCB CCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12522517 XJMHSNVLRHCIDN-UHFFFAOYSA-N 469.401 3.505 10 40 JHCB CN1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 13135633 WNNPRGGVTYMKOL-WVQWTBLQSA-N 475.595 3.956 10 40 JHCB Cc1cccc(Cn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1 20205867 HCWJNZLHXZXPJY-MHHBVAOCSA-N 477.571 3.619 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]23)cc1 102667866 DXCMTIXTNZQAPA-YTFSRNRJSA-N 469.468 3.825 10 40 JHCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 104124080 YKCSTRUIMLEQPE-KJXVGZKYSA-N 478.943 3.672 10 40 JHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 409003632 IXFNUKPHCISGLX-HZHRSRAPSA-N 499.523 3.720 10 40 JHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 409037005 WWUBFLHMUCWYJV-UKTHLTGXSA-N 482.365 3.933 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)[C@@H]4CC(=O)OC45CCCCC5)cc3)CC2)cc1 27739311 QLAICGYDRWNYTJ-DEOSSOPVSA-N 491.588 3.862 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3CCC(C)C)CC2)cc1 29769891 DNYDHCSKOWZDCP-UHFFFAOYSA-N 480.634 3.892 10 40 JHCB COc1ccc(CCNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OC 95478617 MXKBWQRRPYKTHT-UHFFFAOYSA-N 454.482 3.704 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223690839 BFXYYUSYMOEPEM-DHIUTWEWSA-N 478.574 3.723 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408692239 ICXGUXZVWWZELC-DEDYPNTBSA-N 478.501 3.767 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 409230134 BUWRQXAVQIUWQO-JCMHNJIXSA-N 454.548 3.956 10 40 JHCB O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2343556 FNSRBUGBFVZROO-AQTBWJFISA-N 498.630 3.788 10 40 JHCB Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)cc1 41077871 WYLFYZIBOAXVDH-MHHBVAOCSA-N 477.571 3.619 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 225481750 PKSQNPAMACKCPU-OAQYLSRUSA-N 469.651 3.948 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cc(C)cc(C)c1 408889760 GXHCDSQMLXNCAW-UHFFFAOYSA-N 475.364 3.568 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1 409212138 PLFIEOLFVLWGPX-DHDCSXOGSA-N 494.348 3.912 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@@H](C)C(=O)O 409243802 UNSYAXQQUNEKQQ-LZAIMSLLSA-N 479.272 3.520 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409250671 XTYYVWVPKFFTPV-MHWRWJLKSA-N 492.384 3.670 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Br)ccc3Cl)CC2)cc1 3555534 JCALODIZEOCBFO-UHFFFAOYSA-N 467.747 3.617 10 40 JHCB CCOC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 6143041 LPRQIHOKYOYYBP-MRXNPFEDSA-N 492.619 3.513 10 40 JHCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCCN1CCOCC1 8820178 GDXULPMYSBUQSR-JZJYNLBNSA-N 496.098 3.940 10 40 JHCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 9161152 LMZTYOBPWLQODW-ZUGBYVCQSA-N 452.584 3.555 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 9425657 INDSOFRZZHKFGX-UHFFFAOYSA-N 466.534 3.884 10 40 JHCB COc1ccc(S(=O)(=O)N2CCN([C@H](c3ccc(C)cc3)c3ccccc3O)CC2)cc1 12976639 SETFUKJYKDNUTO-RUZDIDTESA-N 452.576 3.805 10 40 JHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 20287279 SIWGRFRWJYZBHG-QJOMJCCJSA-N 453.564 3.925 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccccc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 34690312 MPVNNLAKGHBISK-BQQUOAEZSA-N 489.622 3.980 10 40 JHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 104233294 PZTNURQIDVAMBH-BHIFYINESA-N 482.448 3.598 10 40 JHCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422809 LTSCOEWEOSIJPE-GIJQJNRQSA-N 456.589 3.922 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C(=O)NC2=S)c1 408742376 WHIKFNGHJRHASQ-OQLLNIDSSA-N 461.337 3.688 10 40 JHCB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1C 15134711 SSBAHJLYODTLEJ-UHFFFAOYSA-N 457.640 3.703 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3F)c3sc4nc(C)nn4c3O)CC2)cc1 22627297 LSYBHINBMSWBEH-HXUWFJFHSA-N 453.543 3.864 10 40 JHCB Cc1cc(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 36394904 QKNCTDMYCCYRJJ-QHCPKHFHSA-N 479.552 3.837 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@@H]32)cc1 101484072 YZLMQFDOSNTTNR-VXNXHJTFSA-N 465.505 3.728 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)cc1 408879254 CKYBOLSFJBJKEI-PXLXIMEGSA-N 458.445 3.870 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1OC 409250296 WVZPAKQJCCTQSG-XYOKQWHBSA-N 481.755 3.951 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@H]1C 4972333 XRESMPGYVTUMSP-KTLSJUBGSA-N 470.507 3.823 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)CCC2 9514630 QABQYZVFAJQHGC-MUUNZHRXSA-N 469.541 3.995 10 40 JHCB Cc1cccc(-n2nnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1C 12606273 WHYSZZSBBVWJFA-QFIPXVFZSA-N 480.638 3.645 10 40 JHCB CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC1=S 13940886 CKAAMTKLOVEWNX-PTNGSMBKSA-N 450.519 3.584 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCc3ccccc3C2)cc1 16914876 HPGVALACHSOTKR-VWLOTQADSA-N 493.629 3.602 10 40 JHCB O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 35225998 FLKNYPSKUGDJDZ-XSFVSMFZSA-N 461.503 3.750 10 40 JHCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 36683811 HVGFONQRALEEQW-VWLOTQADSA-N 472.589 3.616 10 40 JHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(C(=O)N2CCOCC2)cc1 101125464 TVVGSPWJMKWFCY-XSFVSMFZSA-N 469.339 3.640 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)SC1=S 107815910 CDFKCVRXKFLRIP-LZYBPNLTSA-N 480.926 3.782 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc2c(c1)OCO2 223272988 KMQHURVJKFHLCZ-ZEQRLZLVSA-N 463.607 3.752 10 40 JHCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)cc1 408562325 YWZVLIMTVNWSRH-UHFFFAOYSA-N 493.629 3.598 10 40 JHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccc(I)cc1 408765672 XCNOCBIHVNTZPZ-DHDCSXOGSA-N 496.351 3.798 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409233738 WJWGMFOLBGHUOJ-LDADJPATSA-N 478.961 3.678 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(I)o1 6974285 KFQVORZUUVNZMP-VURMDHGXSA-N 477.041 3.857 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(OC)c1 8870236 MXYJHXNLISVTQJ-FRKPEAEDSA-N 462.465 3.749 10 40 JHCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15997144 WKTXWPNXJGTXFN-NEWJYFPISA-N 488.540 3.626 10 40 JHCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1O 96115811 UNZNEYCPXFEEGD-CYBMUJFWSA-N 462.410 3.732 10 40 JHCB biogenic COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c([N+](=O)[O-])c1 223621753 JGEBSWFEZCVHLM-DHIUTWEWSA-N 481.578 3.761 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)cc2)C1 260772959 XTNIYKKXLOAOGG-IBGZPJMESA-N 461.603 3.925 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 408913131 KYTYDRFIIOCGBT-OVCLIPMQSA-N 493.354 3.822 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC 409020413 PAACUEXBQCYJFZ-ATVHPVEESA-N 458.898 3.773 10 40 JHCB COc1ccc(N2CCN(C(=O)CN3CCC(c4nc5ccccc5s4)CC3)CC2)cc1 9672580 FYAWHRCIWOZJBI-UHFFFAOYSA-N 450.608 3.833 10 40 JHCB COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)/C(=C\c4cccs4)SC3=S)c2c1 10434570 KCBSZBSJJVMASB-VCHYOVAHSA-N 457.602 3.798 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 15930915 CVMHNTFBPJRJQM-UHFFFAOYSA-N 459.518 3.519 10 40 JHCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1C 41084403 PGOTVLSDYUUAMN-QGUUBAPPSA-N 462.579 3.620 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273641 ALCSJVLULWYCOH-RPWUZVMVSA-N 494.621 3.940 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)NC2=S)cc1Cl 409230187 XJWVBDNHEJSOJY-LDADJPATSA-N 455.967 3.625 10 40 JHCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl 8846111 YZFUUGOELLLUMV-GOSISDBHSA-N 488.993 3.650 10 40 JHCB COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Br)c1 13893391 HZWOXCFTXRDKAJ-BYOKLEKTSA-N 485.319 3.926 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 22929916 RRDLEUOYKXRXMV-MUUNZHRXSA-N 481.648 3.889 10 40 JHCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/NNc3cccc4ccccc34)C2=O)cc1OC 34237206 OWXUMRYVZHMCRW-CYVLTUHYSA-N 460.490 3.819 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225534280 QPBDIZLURMLCDK-FQEVSTJZSA-N 459.587 3.533 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408802502 YKAIBDATKDDLHB-FYJGNVAPSA-N 473.441 3.849 10 40 JHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cccc1OC 409098367 QBEDVBMAWZWTMR-RFRKOGIWSA-N 470.547 3.721 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9468907 CKERBIVZUYQOGD-XNTDXEJSSA-N 497.661 3.760 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c(C)n1-c1ccccn1 12534841 UVPULJPTNQYEQR-UHFFFAOYSA-N 488.617 3.941 10 40 JHCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 33391906 HGNDEUJASSLWOX-DHDCSXOGSA-N 473.279 3.982 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2S1 41077794 FDLMHZLNCNZXSP-ATKCCKKESA-N 474.951 3.540 10 40 JHCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)cc1 102618866 QWHGJQQWJBPSFU-RNHBDSLOSA-N 496.032 3.908 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S)c1ccccc1Br 8765918 JTNFVGIISMIVFN-ZROIWOOFSA-N 463.334 3.694 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9112236 RLONUWPVXWWGTF-UHFFFAOYSA-N 499.677 3.679 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N21 20206274 YLOSLWFBUAWDLJ-UJADIJFVSA-N 474.951 3.540 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC 20287180 UNMDXNMJYXLBOZ-BKUYFWCQSA-N 466.519 3.965 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccccc3)CC2)cc1 57015903 IFHDQENOIOFWNT-CYFREDJKSA-N 471.648 3.987 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223654000 WYBVELRWTAFADB-GOTSBHOMSA-N 450.564 3.730 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223674147 FSEVPDMCGXRAKF-DNQXCXABSA-N 492.601 3.811 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C2=O)cc1 408541223 CBMOKLVWJHVQRD-UDWIEESQSA-N 469.453 3.956 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 408743107 ZHEBDTKALLZFON-HYARGMPZSA-N 473.441 3.849 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)c1 408964600 CWSPHNWUARPOOC-PXLXIMEGSA-N 457.486 3.937 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409093040 YTXWMZZTUBQOKS-SFQUDFHCSA-N 474.385 3.962 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(I)o2)C1=O 409253855 VORUQDSQEAUUSN-JXMROGBWSA-N 456.623 3.512 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccccn4)c4ccccc34)[C@H]21 1565524465 IHXCXINWULITEV-MHZLTWQESA-N 465.557 3.890 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1OC 1822755 LYARCKUBPSHRNK-BOPFTXTBSA-N 459.505 3.548 10 40 JHCB CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)CC1 10913273 MMJWXPJURBCIFZ-XMMPIXPASA-N 452.576 3.813 10 40 JHCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 41077690 SCCUIHFNVMGDJK-UJADIJFVSA-N 475.983 3.677 10 40 JHCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)o2)cc1Cl 101096165 GYTHJRGBJPPIOJ-HPFDFQMNSA-N 497.964 3.776 10 40 JHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862056 CDYCBOBSXDNMEZ-DNVJHFABSA-N 458.474 3.712 10 40 JHCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)O 409039783 DMHDDBAXJJZHKV-UHFFFAOYSA-N 472.453 3.742 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NC(C)C)cc3)C(C(=O)OC)=C2C)cc1 654609 SIEDJIAESRCITI-HAHDFKILSA-N 478.545 3.866 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)c1 8451835 OZQHMRMQRYSEKF-UDWIEESQSA-N 459.458 3.793 10 40 JHCB COc1ccc(N2CCN(C(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1 13680363 UAGMYUFRHPQWID-UHFFFAOYSA-N 480.030 3.552 10 40 JHCB CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Br 16688053 XYKRXWPHPBJWPV-YHYXMXQVSA-N 481.187 3.896 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 16915831 JVXUIZCRSMXHPD-LICLKQGHSA-N 492.962 3.748 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccn1 223173504 PDRMLMHODZIISS-JWQCQUIFSA-N 476.650 3.579 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223692992 DIVRUXUNCAFCAF-BJKOFHAPSA-N 478.574 3.753 10 40 JHCB COc1ccccc1Cc1cc(C(=O)N2CCC[C@H](c3nccnc3-c3nccn3C)C2)ccn1 257266258 MCEZCSVVGKKAMI-NRFANRHFSA-N 468.561 3.891 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1cccc(F)c1 408881583 NMQNYASLTJVMOK-CIAFOILYSA-N 475.432 4.000 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)cc1 409088252 KOULQXDLRCREQN-LDADJPATSA-N 492.509 3.582 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1I 409180989 XIOYBSAJMTYQRY-GDNBJRDFSA-N 496.351 3.846 10 40 JHCB NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)sc2c1CCCC2 1787921 MZCIKMFVHKVGFK-XNTDXEJSSA-N 457.602 3.566 10 40 JHCB CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2O1 15224480 APNWQPWGAURZHQ-UHFFFAOYSA-N 485.492 3.736 10 40 JHCB COc1ccccc1N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224439424 FJZIELYCBIQVKB-UHFFFAOYSA-N 459.612 3.548 10 40 JHCB COc1cc(N(C)C)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O 408723093 QGORSRJUDUGODM-RIYZIHGNSA-N 450.347 3.899 10 40 JHCB CCCCN1C(=O)/C(=C/Nc2cc([N+](=O)[O-])ccc2OC)C(=O)N(CCc2ccccc2)C1=O 8431347 BYXIGOYZLRCCKY-MNDPQUGUSA-N 466.494 3.733 10 40 JHCB Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 13618606 OOSUKMUSNAOKAI-WYNJQFGGSA-N 498.674 3.865 10 40 JHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 14133105 ANBATELZPUUWBR-XSFVSMFZSA-N 456.454 3.939 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 16914442 YRFDBPSTZOXGMG-RUZDIDTESA-N 490.579 3.914 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 41077821 HUIMUQOLIDNQIC-LPNCCNKHSA-N 498.586 3.847 10 40 JHCB COc1ccccc1NC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O 104123680 HNKATEPUHNCQEQ-FTGFMQHASA-N 473.536 3.633 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223707687 ZCACPYZRLDFJLY-BJKOFHAPSA-N 492.601 3.811 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408954724 SIQPJZVYMKERNG-YBFXNURJSA-N 460.417 3.800 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)C(=O)NC1=S 409174931 VWIKYVKUGAFHDB-XDHOZWIPSA-N 489.553 3.941 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OCC 409216110 FBFLGZJUXPQQCX-MHWRWJLKSA-N 499.476 3.553 10 40 JHCB CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c2ccccc21 1891899 OXYUQQHGCHHOME-ZCXUNETKSA-N 452.561 3.535 10 40 JHCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccccc1Br 8870262 JNBYQDGSYBOESW-ZROIWOOFSA-N 459.350 3.872 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 12410939 MUTZECGPFVTAMP-XPWALMASSA-N 495.487 3.558 10 40 JHCB CCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26688432 HIHHQDKHAWBOLQ-DYFSNASRSA-N 472.636 3.618 10 40 JHCB COc1ccc(N2CCN(c3c(C(=O)N4CCSCC4)cnc4ccc(F)cc34)CC2)cc1 72328419 JDZBQBSIIJURFF-UHFFFAOYSA-N 466.582 3.898 10 40 JHCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)C2=O)c1 408530329 FAIFAUNJDFYNAA-ISXBQHCWSA-N 498.491 3.989 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)N(c3ccccc3)C2=S)cc1C 408904634 MMHHIQNDWSIRNO-HAHDFKILSA-N 485.565 3.916 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC 408938487 KOKPZZZYVANQQT-OQLLNIDSSA-N 459.842 3.712 10 40 JHCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1I 3040832 GFINMJBPLJDTGO-UKTHLTGXSA-N 469.076 3.515 10 40 JHCB COc1cc(Br)c(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC 27532565 MRSCPHOAZHLUGP-MLPAPPSSSA-N 482.128 3.690 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 107933406 MCGFQSFRQUZLNO-UDWIEESQSA-N 491.456 3.828 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1cc(C)cc(C)c1 408878080 WHMJXRVTCXTASV-UHFFFAOYSA-N 457.324 3.805 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C2=O)cc1 409072006 UCGGFECNRDHNPF-LTGZKZEYSA-N 492.509 3.519 10 40 JHCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135745 FEXCKWFFMNOUHA-QFIPXVFZSA-N 471.001 3.623 10 40 JHCB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nc2n1 9661984 CTCPTDVBVQLKIZ-UHFFFAOYSA-N 469.448 3.790 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9756000 JASKTXJMDDKYEP-VWLOTQADSA-N 477.542 3.851 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 19499657 RXFIUWUHIJWINV-XMMPIXPASA-N 480.613 3.756 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3nnc4ccc(-c5ccc(C)c(C)c5)nn34)CC2)cc1 33309498 LSLREKROGIIGAA-UHFFFAOYSA-N 470.577 3.698 10 40 JHCB N#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 34735697 DQWIJFFKXXKTON-JYRVWZFOSA-N 477.112 3.575 10 40 JHCB Cc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)sc2c1 408534959 RVTONJSDSBUYGS-UKTHLTGXSA-N 485.363 4.563 10 40 JHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408784388 BLXXNRFPIYEPHQ-IWIPYMOSSA-N 483.524 3.972 10 40 JHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)c(OC)cc1Cl 408824510 HYRHVPRMURBVEM-KPKJPENVSA-N 451.262 3.686 10 40 JHCB CCN1C(=O)C(=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C(=O)N(CC)C1=S 409377555 IIICJVZLZFLIBY-UHFFFAOYSA-N 465.575 3.700 10 40 JHCB Cc1ccccc1CN1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 22804798 VMDHVPQYSZDUBR-UHFFFAOYSA-N 459.590 3.644 10 40 JHCB O=C1N=C(O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 33352214 FYZBCECBJSFZPX-JAIQZWGSSA-N 486.436 3.563 10 40 JHCB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 260813116 PSSOGMDIPXNZQM-LEWJYISDSA-N 457.640 3.870 10 40 JHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)c(C)c1 408529729 HTHWBDFWLSWHSJ-GHRIWEEISA-N 488.548 3.763 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1NC(=O)c1ccccc1 409208188 BWCZBEWQFGBLHZ-UDWIEESQSA-N 462.893 3.809 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1 409411020 SJAIXNNOAMJXPI-UHFFFAOYSA-N 465.575 3.767 10 40 JHCB COc1ccc(N2CCC(O)(CN3[C@H](Cc4cccc(F)c4)C[C@@H]4NC(=O)CCCC[C@H]43)CC2)cc1 2037845989 JPGMTLVOEDCHDR-FXVJXKIMSA-N 495.639 3.910 10 40 JHCB O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 1213630 MCBNGEDHCJPMGO-FOCLMDBBSA-N 480.354 3.627 10 40 JHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 9427911 OHBMMXHZMGHBIA-LGMDPLHJSA-N 470.576 3.527 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cc4cccnc4n(Cc4ccc(F)cc4)c3=O)CC2)cc1 15883335 ZRYSPXQSNSAWDX-UHFFFAOYSA-N 472.520 3.555 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 41085064 SDMHLBVPLYYYIN-WFFRMWFSSA-N 493.520 3.726 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 223207235 LAZPUQIODUYJAZ-UHFFFAOYSA-N 461.603 3.530 10 40 JHCB C[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 260762327 HUQNXJAQTLQSLJ-MOPGFXCFSA-N 459.612 3.575 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1C 408553423 YXRBVDDEPPOHIE-RGVLZGJSSA-N 484.534 3.670 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 9086595 HYYLXAPWWYFABG-VABKMULXSA-N 451.478 3.999 10 40 JHCB COC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 9127274 ZPQWBQFZQSHVRP-XMHGGMMESA-N 453.520 3.604 10 40 JHCB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc2c(c1)OCCO2)CO3 9411085 WPQWMZKCTURDMQ-UHFFFAOYSA-N 451.475 3.725 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCCCOc1ccccc1 13893845 YNVDQJFWTMMVJX-XLNRJJMWSA-N 459.458 3.904 10 40 JHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 27530524 CIADXBGIKGJGFF-RQZCQDPDSA-N 459.505 3.539 10 40 JHCB O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96220858 MDZCNRROXNRJBC-ZDUSSCGKSA-N 477.381 3.632 10 40 JHCB biogenic CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2OC)N[C@@H]1c1ccc(N(C)C)cc1 408990092 MKMWZKXDAWPXBD-HSZRJFAPSA-N 482.606 3.971 10 40 JHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 2213818 CDYCBOBSXDNMEZ-ZLNRFVROSA-N 458.474 3.712 10 40 JHCB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c1 6155123 WYPWYZYPZDGLGE-KRWDZBQOSA-N 477.432 3.807 10 40 JHCB COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)N=C2O)cc1OC 8764713 RWGWOWBKTSABHP-LICLKQGHSA-N 498.333 3.857 10 40 JHCB biogenic COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OC 16914743 UCOKGURXTRJDTJ-VWLOTQADSA-N 495.645 3.848 10 40 JHCB O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 18180993 OXZGSFKSBBACKX-ACRUOGEOSA-N 459.404 3.660 10 40 JHCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 20206297 PISNCJPIXHSEHN-WUVMMTAUSA-N 488.978 3.849 10 40 JHCB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)s2)c1 223061985 PIDUPRIFUZEBJB-QGZVFWFLSA-N 485.635 3.814 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S 408743654 WQGVXFPPSRTSNX-YRNVUSSQSA-N 470.142 3.944 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCc1cccc(C(=O)O)c1 408914935 RXNFCBRDQWSLSG-UDWIEESQSA-N 490.443 3.778 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)c(OC)c1 409108993 ZIICXPNYPPUPBB-CPNJWEJPSA-N 461.543 3.943 10 40 JHCB O=C1c2ccccc2C(=O)N1Cc1cc(Br)cc(CN2C(=O)c3ccccc3C2=O)c1O 1717553 RFBLGFLWOYLGNB-UHFFFAOYSA-N 491.297 3.747 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC 16576055 FWKPVZJRUWKQLW-PGCPQKEFSA-N 468.550 3.779 10 40 JHCB COc1ccc(N2CCN([C@@H](CNC(=O)C3CCCCC3)c3ccc4c(c3)OCO4)CC2)cc1 16953850 GZKQFQMTVICWQB-DEOSSOPVSA-N 465.594 3.984 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC(=O)Nc2ccc(Cl)cc2)c1 33803270 LQGOJQAZUPKHMX-HMAPJEAMSA-N 490.947 3.885 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1OC 409132941 PJOZTCXESSQKCW-LFIBNONCSA-N 489.322 3.614 10 40 JHCB Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1 3385340 AQBKYYYBJIOSNU-UHFFFAOYSA-N 476.554 3.952 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)[C@H]4CC(=O)OC45CCCCC5)c3)CC2)cc1 27739543 NTHCFKDTOBHPAO-XMMPIXPASA-N 491.588 3.862 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 33637258 QMVSGQNJOOSQJR-STZFKDTASA-N 458.470 3.824 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)cc1 113834645 PUVXKBSKEUOBFX-CPNJWEJPSA-N 457.533 3.846 10 40 JHCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 409179656 TZJMNANUHKNBNB-RCCKNPSSSA-N 451.548 3.761 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 13942729 NGNYQRIUNFNEHY-INIZCTEOSA-N 452.507 3.806 10 40 JHCB C#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33524542 QGAKZVUFMXHELR-ZROIWOOFSA-N 476.124 3.685 10 40 JHCB Cc1ccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Br)cc1 59139366 CONNSKSDWLYHOM-UHFFFAOYSA-N 459.365 3.935 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 409221040 JVPBXVXDSYGSIM-FYJGNVAPSA-N 462.481 3.773 10 40 JHCB O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccncc1 1090172 NLUQMCXWEPTESY-VXPUYCOJSA-N 472.551 3.545 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6227301 ZCARHIXSGAWJOD-QFVBLGFASA-N 493.654 3.586 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(C)n1-c1cccc(F)c1 8709229 VMGFBDOSQFRBCW-OAQYLSRUSA-N 499.612 3.815 10 40 JHCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 17050913 VWBNAHBSIPOHRO-MHZLTWQESA-N 478.662 3.903 10 40 JHCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 22735484 MLWHEWFOHSQMPF-AREMUKBSSA-N 465.619 3.574 10 40 JHCB COC(=O)C[C@H](c1ccc(C)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115117 ZBCATEASZARQCD-GFCCVEGCSA-N 468.414 3.584 10 40 JHCB biogenic Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)c1 408553068 WRBPRHCWAHJOGY-XNTDXEJSSA-N 462.312 3.739 10 40 JHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409019158 YGSHDUBBPZMSOW-HZHRSRAPSA-N 499.523 3.720 10 40 JHCB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 1792350 ALZCHYCYAJVRQL-FCKOQQNDSA-N 475.614 3.561 10 40 JHCB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@@H](Cc1ccccc1)C(=O)O 8870178 IKQUWSOGZLHSCE-YWTUHIOUSA-N 466.584 3.646 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCc3ccccc3C2)cc1 36683797 FCJLEHVDAYFRBQ-RUZDIDTESA-N 478.543 3.885 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N=C2S1 41084108 NLJDCLMOQACASN-BIWIXZEJSA-N 468.560 3.585 10 40 JHCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OCC 59136168 VZZJVLQIYQOPRZ-RVDMUPIBSA-N 472.494 3.838 10 40 JHCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)N=C(S)N(c3ccc(C)cc3)C2=O)cc1 9350554 RKMHIVQVBASGHY-LTGZKZEYSA-N 480.590 3.649 10 40 JHCB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9463058 SOTVNKZVFKRRCE-XLIONFOSSA-N 465.015 3.698 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 9468894 UTYDCMGLTHQZRR-SANMLTNESA-N 459.502 3.559 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 408538537 OMQYDKPTZFBYKQ-UHFFFAOYSA-N 488.496 3.611 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 409018704 XTZAMLCOYMHNOV-SRMXYGTFSA-N 479.272 3.520 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 409216640 MXWUVIJRXFJLPC-UUYOSTAYSA-N 462.481 3.773 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1 409376641 CCKXRXKFEBWFLT-XMHGGMMESA-N 489.459 3.518 10 40 JHCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)cc1 2059932 OCHNZTKAZKJPKH-JDCXBEBJSA-N 496.032 3.908 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 8816262 BDWQNTQKDZUSTI-OEAKJJBVSA-N 486.528 3.721 10 40 JHCB Cc1cccc(N2CCN(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1C 13038312 GNJCQRPIMFTIHP-UHFFFAOYSA-N 453.542 3.840 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(/C=C/c3nc4ccccc4[nH]c3=O)C2=O)cc1OC 17223351 FKFQTEVLSPYHGD-PAADAATBSA-N 451.529 3.812 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(F)c3)CC2)cc1 38487582 WDFUDVOLGQBURH-UHFFFAOYSA-N 475.567 3.659 10 40 JHCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1Br 108280031 KRPJUWIARGHFDQ-UHFFFAOYSA-N 464.316 3.727 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)cc1 408550927 KSWCDOITZRYBKK-RVDMUPIBSA-N 462.312 3.685 10 40 JHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccccc1I 408757841 CZVWRVSXWJJDQZ-DHDCSXOGSA-N 496.351 3.798 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1 3346016 ATYVNEXCCMHOKD-UHFFFAOYSA-N 495.329 3.879 10 40 JHCB Cc1csc(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n1 3348134 KGHNGIYSNVWCPF-UHFFFAOYSA-N 491.660 3.855 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3cnc4scc(-c5ccc(C)s5)c4c3=O)CC2)cc1 9468899 ZYVKGAOMJWHTDF-UHFFFAOYSA-N 480.615 3.852 10 40 JHCB Cc1cc(C(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 13129156 BUYUKJTXNFXHPI-UHFFFAOYSA-N 499.976 3.602 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084544 SFBRGCZFYGMLIG-QAGNQREPSA-N 499.955 3.967 10 40 JHCB COC(=O)C[C@@H](c1ccccc1F)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114852 ZNSOWXOSOSMOMH-ZDUSSCGKSA-N 482.416 3.822 10 40 JHCB biogenic CCOc1ccc(NC(=O)[C@H](/N=N\c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)C(C)=O)cc1 104124091 PIKIFWJDHRSERU-MABPWNACSA-N 496.549 3.665 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Br)c3)C2=O)cc1 408808430 PNJKJVRRHDHYDD-LFIBNONCSA-N 459.296 3.913 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 408916570 FJFRERMDKGSWHG-OVCLIPMQSA-N 475.364 3.602 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OC(C)=O 409345981 MMNWJMMRRBCJAD-XDHOZWIPSA-N 472.544 3.565 10 40 JHCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)cc1OC 660213 FTDGAKSKBAZMAE-WOJGMQOQSA-N 468.531 3.926 10 40 JHCB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 951770 NSBZBUNSBUCZCD-JQVVWYNYSA-N 481.540 3.662 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 16901400 JJQKHFCFRNSIOK-GDNBJRDFSA-N 477.361 3.782 10 40 JHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)C(O)=NC1=S 59182309 BKPASUPHRXEKBP-LICLKQGHSA-N 452.561 3.506 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]23)cc1 100154583 YZLMQFDOSNTTNR-KMDXXIMOSA-N 465.505 3.728 10 40 JHCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 9057048 CTQDSPDNSWHMDL-UNOMPAQXSA-N 480.502 3.925 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 13504799 WZOHXCRWMXHNGH-SANMLTNESA-N 471.584 3.838 10 40 JHCB COc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)cc1 101165353 ZZTCOTPBMLVNSE-WXFUMESZSA-N 481.504 3.694 10 40 JHCB CN1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12C(=O)Nc1ccccc12 102769418 UKKCOOAIIPKUHB-WGURPXDASA-N 486.622 3.758 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(F)cc1 408918296 IQMVKWYNGPMCSI-BKUYFWCQSA-N 493.491 3.814 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1OCC 409191904 QAGSEFQVJFJBBI-MHWRWJLKSA-N 458.898 3.895 10 40 JHCB O=C(O)CCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 9281592 PRKCUTYQFSTOSA-VBKFSLOCSA-N 485.518 3.692 10 40 JHCB CCN(CC)c1ccc(CN(C(=O)/C=C/c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9282707 ZQLZVGHQVGQUMS-WIJYMUHASA-N 456.608 3.771 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 9468889 UTYDCMGLTHQZRR-AREMUKBSSA-N 459.502 3.559 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504831 LVGGCVPXSBMEDW-AREMUKBSSA-N 488.567 3.789 10 40 JHCB Cc1ccc2nc(COC(=O)c3ccc4c(c3Cl)C(=O)c3ccccc3C4=O)cc(=O)n2c1 21942081 XTDVQDJRXDCTML-UHFFFAOYSA-N 458.857 3.789 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 43365984 YELXRFXLPAPXNK-BFQBXFRASA-N 455.525 3.522 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 59138786 YPZIUNPCYXGCLV-RCCKNPSSSA-N 457.486 3.889 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274805 RANDLQAQXISUTK-DNQXCXABSA-N 494.621 3.940 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409140609 GTAPEGWCGOMZHB-RIYZIHGNSA-N 475.364 3.914 10 40 JHCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409188242 XRSASJLEFFDHKM-WOJGMQOQSA-N 458.923 3.502 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)C(=O)NC1=S 409210597 FVPXGBKOKMKXKZ-XSFVSMFZSA-N 458.543 3.629 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl 10113571 XXVAZHXRYBITFA-UHFFFAOYSA-N 456.395 3.676 10 40 JHCB Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(C)C3=O)oc2N2CCCCC2)cc1 16739922 ZRQRUIPERIQPLD-QINSGFPZSA-N 463.606 3.637 10 40 JHCB C[C@H](C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12)N1C(=O)/C(=C\c2cccs2)SC1=S 28296930 OICCTNKROGHVMO-VBEHJTROSA-N 469.613 3.838 10 40 JHCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)c2C)cc1 41083813 GDYXETSOSXAYPB-BIWIXZEJSA-N 469.592 3.668 10 40 JHCB Cc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1 41084739 LHLGPTQOEJGRQM-FOSZEWQZSA-N 462.579 3.938 10 40 JHCB COc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 41084754 XPNJXTPYTQQJQK-KBWVGNHGSA-N 478.578 3.638 10 40 JHCB NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)sc2c1CCCC2 8820229 FNVGBGLYUISOGT-MDWZMJQESA-N 463.631 3.627 10 40 JHCB Cc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O 35855633 DZPGGQKWPDGVDA-MUEKUWCCSA-N 493.610 3.881 10 40 JHCB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 224269717 IITMQVUQRLSFJX-IAGOWNOFSA-N 465.566 3.987 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409243047 UVMJRVWZNLOWIH-MDWZMJQESA-N 461.337 3.606 10 40 JHCB CCOC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)nc1C 2672206 BERABZGOJOWJDT-KAMYIIQDSA-N 461.590 3.858 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc3c(c2)OCO3)c1 35167531 YUCZOQRCJGLXNO-BKUYFWCQSA-N 457.486 3.522 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 41084301 SPJPHTRUSYFFNS-YTERJXCHSA-N 489.557 3.977 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)c(C)c1 107946051 MKQBCVSFZJGBFC-GXDHUFHOSA-N 462.312 3.739 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223033921 LTUMRLRQKZGEEI-PKTZIBPZSA-N 464.591 3.895 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1 409072692 KMRCOSIHZVPSMX-JWGURIENSA-N 492.509 3.519 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccc(O)cc4)c4ccccc34)[C@H]21 1616044571 BWSWYZJRORBGIJ-NDEPHWFRSA-N 480.568 3.853 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 656574 ZLPDFOZLOKQVSV-PQNGQFLHSA-N 468.575 3.711 10 40 JHCB COc1ccc(N2CCN(C(=O)C[C@@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 4057992 GQVAZRPTIDECAW-RUZDIDTESA-N 474.561 3.936 10 40 JHCB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)CC2)cc1 12628551 XDMWTPBYLHAEGI-IBGZPJMESA-N 467.875 3.822 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc(C)c1 20205997 KUBRDRXTWZKZNT-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB CCOc1ccc(NC(=O)[C@H](/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(C)=O)cc1 104124039 MWLJVYLTEHAIQB-PLFNIDSXSA-N 481.534 3.961 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 409016874 KUGUZPBXJFWPFP-LDADJPATSA-N 466.291 3.920 10 40 JHCB CCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2391179 NSXXAPSMOKAOSU-GXYBQNOFSA-N 480.615 3.841 10 40 JHCB Cc1ccc(N2NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1 3136514 HKURAPFPLKYXMV-NTUHNPAUSA-N 452.102 3.687 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 9311952 PWFOEBYNANSLCA-AUWJEWJLSA-N 495.340 3.687 10 40 JHCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 15930212 TVQQODJUJOYLTB-ZROIWOOFSA-N 491.718 3.998 10 40 JHCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 16791042 YFJHUTKFQWCPGO-ZHZULCJRSA-N 461.503 3.750 10 40 JHCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 41077830 DJVBXJAFCONKRY-WUVMMTAUSA-N 488.978 3.849 10 40 JHCB CSc1ccccc1C(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 95927146 VYBDHDDFTVGJIF-WQRHYEAKSA-N 458.586 3.768 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409241234 JQVBBWRRLDYQPR-BKUYFWCQSA-N 467.547 3.515 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1O 9096109 SLUAVZDUTJGYGK-NTEUORMPSA-N 465.350 3.710 10 40 JHCB COC(=O)c1c(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)sc(C)c1C 9465103 BKFUQBVJVIBBEA-UHFFFAOYSA-N 477.494 3.722 10 40 JHCB COc1ccccc1N1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2cccs2)CC1 13505302 AHMLGLXBKOUZCZ-RUZDIDTESA-N 489.649 3.769 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1 16678463 OJVSOVOXLBQDCJ-QGOAFFKASA-N 461.303 3.599 10 40 JHCB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18181128 CZZJCQPLINEEBE-RJGXRXQPSA-N 485.467 3.920 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223691258 JCAWVJAYVBPUPH-DHIUTWEWSA-N 478.574 3.723 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCCC3)o2)C(=O)NC1=S 408857242 SZZPKSRGOSKXGY-GXDHUFHOSA-N 460.353 3.782 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408865036 ASFJXDMUVMKRLS-CXUHLZMHSA-N 476.270 3.583 10 40 JHCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)C2=O)cc1 666850 GQFPATPIYXTFJO-STZFKDTASA-N 474.469 3.760 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C)CC2)cc1 27936480 BQLDSHMTFPSPGV-ZDUSSCGKSA-N 475.309 3.891 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccccc4)o3)C(=N)N21 32974145 IYVVBTNTWBXWMW-SRRKIXIOSA-N 474.589 3.972 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(OC)ccc4OC)ncn3)CC2)cc1 49006804 GVKSSKWLKZXFSU-UHFFFAOYSA-N 495.605 3.560 10 40 JHCB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@H]2C)cc1 85907447 QNAQXRSCTQFKEU-ROLJIEHUSA-N 454.611 3.733 10 40 JHCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1 96221397 GQXQZIDRMPJSMT-AWEZNQCLSA-N 492.436 3.741 10 40 JHCB biogenic CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc(Cl)ccc2O)C1=O 408526578 COMYDWKNNDEHOV-UKTHLTGXSA-N 464.703 3.949 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1 408938803 RPTNGECCZSIMHL-HMAPJEAMSA-N 474.444 3.858 10 40 JHCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408952650 OOOQNUMLTQHIRU-IWTIEGKHSA-N 472.881 3.921 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1C 409123355 GKOSZTKYMCKEEM-BKUYFWCQSA-N 469.538 3.954 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 9159856 BGPGICLOAUVAKD-LGMDPLHJSA-N 453.545 3.643 10 40 JHCB CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OCC 96193321 VVYYZQPKFDTTBF-ZHZULCJRSA-N 457.552 3.718 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 100705127 QIYAGGMHLSUSOD-VABKMULXSA-N 451.478 3.999 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccco1 408537459 VOZHOUXKTSCPTC-LFIBNONCSA-N 466.833 3.827 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)OC 408773395 KLIZSQGVJHINJX-OVCLIPMQSA-N 493.299 3.610 10 40 JHCB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(Br)cc(OC)c1O 408844490 TWAIKLCITJSGNQ-KRWDZBQOSA-N 463.353 3.657 10 40 JHCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 408960838 OPPOLNJQFWALIZ-MOSHPQCFSA-N 483.366 3.889 10 40 JHCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)c1 409099991 SRCHSCLQYBFMDA-WOJGMQOQSA-N 471.516 3.535 10 40 JHCB COc1ccc(N2CCC(O)(CN3CCC(O)(COc4cc(C)ccc4Cl)CC3)CC2)cc1 585282019 FWLNJCYRBWOPDG-UHFFFAOYSA-N 475.029 3.894 10 40 JHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2308687 KFZCZJOMZNSNQO-WJDWOHSUSA-N 450.447 3.924 10 40 JHCB CCOCCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2695349 CKWJQKKHHOTUJL-PFONDFGASA-N 455.399 3.814 10 40 JHCB CCCCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 9339731 DQHAKPJQMQCGEW-STZFKDTASA-N 481.574 3.659 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1 13505298 BIRGQOHJDVEDBG-DEOSSOPVSA-N 477.613 3.900 10 40 JHCB O=C(O)COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 16488523 XBLBBDVDMRPKOQ-UHFFFAOYSA-N 458.495 3.898 10 40 JHCB COc1cccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1OC 26503264 WSEQHHYBFHIPAU-QGOAFFKASA-N 467.572 3.907 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)CC 408536846 STUGZAOTAPZARL-WJDWOHSUSA-N 487.306 3.830 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccccc1 408538042 YPIIYZJYAUHGSX-XSFVSMFZSA-N 456.454 3.889 10 40 JHCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)cc1 409196233 XUYGCYBOMGKIBY-XDHOZWIPSA-N 460.467 3.679 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 16682817 VHFMZSNUXXPYBE-AUWJEWJLSA-N 481.263 3.741 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 22665507 OVCLZKXVTQHBPW-AREMUKBSSA-N 476.596 3.950 10 40 JHCB O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1 30822644 DHZTVENHRUOXFC-LICLKQGHSA-N 495.369 3.877 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(F)c1 33722596 RFXZUDZWCKZDRT-GRSHGNNSSA-N 495.894 3.967 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 41077724 SMRGIONTVMFTRS-GHZHVEGCSA-N 466.953 3.705 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 107837514 QXICYGSHKNIKAX-KGENOOAVSA-N 489.459 3.518 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C(=O)O)cc1 223619170 KCCUZGHLHXHFAP-YADHBBJMSA-N 450.564 3.542 10 40 JHCB Cc1ccc2nsnc2c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408526307 AUADBFVKQWOXSC-XYOKQWHBSA-N 486.351 3.958 10 40 JHCB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408591038 HYVBKUYRUQWWCD-OAHLLOKOSA-N 472.950 3.885 10 40 JHCB Cc1nnc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1-c1ccccc1 8707535 WMXPAZLLGGNPOC-QHCPKHFHSA-N 465.623 3.942 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCc3ccccc32)cc1 10188449 VZNRAVVSRBJKJY-DEOSSOPVSA-N 473.533 3.520 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 20207118 NXULWLKEMMMQPT-QZEQKTIESA-N 499.618 3.750 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)CC2)cc1 26113966 NRNFZICDSYTUTR-UHFFFAOYSA-N 471.604 3.544 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccc(OC)c(F)c4)no3)CC2)cc1 98211468 GSFPDGGDSDYMPP-UHFFFAOYSA-N 491.523 3.710 10 40 JHCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(N)(=O)=O)cc1 100525057 RYHAHWJIGSSBQB-FTGFMQHASA-N 454.537 3.641 10 40 JHCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1OC 102672216 DNENMPQCGGKATE-RBZQAINGSA-N 497.503 3.707 10 40 JHCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 224953498 NDHSHOBTBBOANF-QJOMJCCJSA-N 475.545 3.984 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 408896508 YZHNJLNMZJOJMX-UNOMPAQXSA-N 453.491 3.988 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 408909592 HHSIAWFTCPRGSR-OVCLIPMQSA-N 493.354 3.822 10 40 JHCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1[N+](=O)[O-] 408956419 WQNGKRFYYKAHPX-MHWRWJLKSA-N 461.386 3.558 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 8842993 DGLURLFBFSYJNJ-SFQUDFHCSA-N 478.482 3.651 10 40 JHCB CC(C)N1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 16779282 SKJXYOYTXRIDER-NBVRZTHBSA-N 450.589 3.959 10 40 JHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 257220670 DLQYPEZBFLLZOL-AREMUKBSSA-N 465.550 3.554 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccccc3C)CC2)cc1 1346301 RYQZBQBRVYUODV-UHFFFAOYSA-N 474.590 3.573 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Br)c1OCC(=O)O 59135238 FGTPILSCYSNCPY-AWNIVKPZSA-N 493.241 3.567 10 40 JHCB Cc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O 102776479 DZPGGQKWPDGVDA-AYCKEJKLSA-N 493.610 3.881 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1O 223185470 XVZCMQCYFZNALE-CLJLJLNGSA-N 491.661 3.890 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3F)C2=O)cc1 408885259 YJFSESSUSPMIRN-PXLXIMEGSA-N 488.471 3.878 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)c1 408949999 CYZVFGAWVABBCX-IZZDOVSWSA-N 470.142 3.944 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409073789 INTNREXFCHSHML-GZTJUZNOSA-N 460.317 3.805 10 40 JHCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(N)(=O)=O)cc43)c2C)sc(C)c1C 409206241 WLKSUEOCOOXCJB-VXLYETTFSA-N 499.614 3.723 10 40 JHCB NC(=O)COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 409224267 KOBFFCRFNRBYPU-UHFFFAOYSA-N 475.888 3.788 10 40 JHCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1 666641 NUTPWDDHYLOWFB-PDGQHHTCSA-N 467.275 3.957 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 9246618 YVTLOTWWQXBKOS-UDWIEESQSA-N 474.473 3.986 10 40 JHCB CCOC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497395 RDXWPYKGQHZTDY-TUAOVVRQSA-N 497.595 3.970 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)NC3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 15229560 QLKJJFXQWAXTKV-HKWRFOASSA-N 476.627 3.951 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O 16915744 LCKHIMVXGYWFKQ-QGMBQPNBSA-N 459.501 3.683 10 40 JHCB COc1ccc(N2CCN(C(=O)CCNC(=O)N3CCc4c([nH]c5ccc(Cl)cc45)C3)CC2)cc1 20719964 HYJMDHUSYKNEKE-UHFFFAOYSA-N 496.011 3.637 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(C)c3)CC2)cc1 38487577 KOEHQXBESHAXAN-UHFFFAOYSA-N 471.604 3.828 10 40 JHCB CCc1cccc2c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)cn(CC(=O)NC3CCCC3)c12 409204502 HIHZNTGFBSAZCD-HMAPJEAMSA-N 476.577 3.667 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 1802050 ZUXRHHIOHWDEML-PDGQHHTCSA-N 472.544 3.632 10 40 JHCB biogenic COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23157551 WFMOHMHOLXJVAZ-FQEVSTJZSA-N 453.543 3.864 10 40 JHCB CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 27022665 NMKMWAVMKKBDTM-CPNJWEJPSA-N 484.628 3.621 10 40 JHCB CC(C)OC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 35153402 RFQAEXRDOIIWOO-NVNXTCNLSA-N 493.741 3.894 10 40 JHCB O=C(O)CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2288732 QLQUIBKJMFTJLG-DWKHYPNZSA-N 476.488 3.764 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3CCc3ccccc3)CC2)cc1 13505512 AXHWOMRTCAQXIO-HHHXNRCGSA-N 484.604 3.845 10 40 JHCB CC(C)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 27024088 SKJXYOYTXRIDER-JXAWBTAJSA-N 450.589 3.959 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)CC2)cc1 225741557 WVWRELLKWTWUNL-UHFFFAOYSA-N 495.626 3.631 10 40 JHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 408810224 IKXSGLGCWIIDCA-OVCLIPMQSA-N 474.267 3.811 10 40 JHCB CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)c2cc(Br)ccc21 1781823 JFJMIPITYVLVDZ-NXVVXOECSA-N 483.409 3.586 10 40 JHCB CCCCN1C(=O)N=C(O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O 9043248 CRTJTDGKZHOATP-UYRXBGFRSA-N 461.474 3.594 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cc(OC)ccc3OC)c3nnnn3CCC(C)C)CC2)cc1 13505385 WANWTSZXTXKSMM-VWLOTQADSA-N 480.613 3.657 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1cccc(F)c1 20207156 HDHSPHUZRAMFON-VVWLUFOWSA-N 487.582 3.881 10 40 JHCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96222714 HLXMXCUBPFOGMH-CQSZACIVSA-N 462.410 3.732 10 40 JHCB biogenic COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223636562 VNDLTPWYPLKRBD-PKTZIBPZSA-N 464.591 3.631 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409097833 ODTSXDRATNJYHJ-LDADJPATSA-N 496.342 3.769 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 13504118 NNQAYKUGTOXSCZ-HSZRJFAPSA-N 451.594 3.935 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Br)c3O)C(=O)NC2=S)cc1 16216906 XPDBFCHAKZAUBU-NTUHNPAUSA-N 467.728 3.648 10 40 JHCB O=C1/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 40221244 HKKUXEYLVYOQOS-OKSBFYSISA-N 465.556 3.867 10 40 JHCB COc1ccccc1N1CCN(C(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)CC1 95474343 ZZLXCIJCMPXZAZ-UHFFFAOYSA-N 465.509 3.686 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223654100 WYBVELRWTAFADB-XZOQPEGZSA-N 450.564 3.730 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2 408531459 GWKBSWCNESKGQJ-WQRHYEAKSA-N 490.855 3.954 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409141135 UGVMICVVYADUMI-QREGZJMFSA-N 481.599 3.931 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](CO)Cc4ccccc4)c4ccccc34)[C@@H]21 1616044646 NDULOCISFNDHMT-KCWXNJEJSA-N 494.595 3.508 10 40 JHCB Cc1c(N2C(=O)/C(=C/c3cc4ccccc4[nH]c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 12372088 RSYNZAJHHSFPAH-UYRXBGFRSA-N 474.567 3.732 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 41084117 IDUWZRVFIIZOHR-QPMXATIOSA-N 468.560 3.838 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCC(=O)O 59135466 XVMQDWNXVSUYOC-VGOFMYFVSA-N 462.817 3.848 10 40 JHCB COc1cc(OC)cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96221443 HRBDIDBBODMHEW-HNNXBMFYSA-N 492.436 3.741 10 40 JHCB biogenic CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408788405 CUOIGDIWTGKNAU-KDYMBEQYSA-N 490.556 3.628 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)cc1 409102411 SRGRWOXDEGPOJH-PXLXIMEGSA-N 481.574 3.905 10 40 JHCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409343406 GPRLIYOOOPDRJL-RQZCQDPDSA-N 464.952 3.912 10 40 JHCB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 1480727 XUIAEMSBVNRREY-BRYHAGSVSA-N 472.636 3.720 10 40 JHCB O=C(O)CN1C(=O)[C@@H](/C=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2ccccc21 8820696 VTDUJBAKLVJYFG-PFSWGADMSA-N 461.421 3.846 10 40 JHCB CCCn1c(Cl)c([C@H]2NCCc3cc(O)c(O)cc32)s/c1=N\S(=O)(=O)c1cccs1 19691548 MTZWMKDEQMPILI-VFOOBRQFSA-N 486.040 3.610 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1 169680809 YGYAITKGVIYKEA-DNVJHFABSA-N 496.475 3.907 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223011348 PEOBQSBXFUJENU-YADHBBJMSA-N 450.564 3.806 10 40 JHCB Cc1cc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Br 408532941 NEVWULITEFGRHF-FMIVXFBMSA-N 477.702 3.699 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409016168 SQLPHRJPGDKGOX-HYARGMPZSA-N 496.516 3.774 10 40 JHCB CCCCCCN1C(=O)NC(=O)/C(=C\c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C1=O 2152374 QGGDNCUFYVGABC-RCCKNPSSSA-N 477.561 3.842 10 40 JHCB biogenic COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1Cl 9135636 YXIJTXWLYPXVBC-JOCHJYFZSA-N 471.001 3.623 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13672619 LKINIHAAUKZBQF-VWLOTQADSA-N 477.586 3.560 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O 13943172 OMMDNROAKSBPSE-WUXMJOGZSA-N 496.111 3.592 10 40 JHCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 34828780 YKZGGMBQGCBOOW-UDWIEESQSA-N 495.894 3.967 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223033860 LTUMRLRQKZGEEI-GOTSBHOMSA-N 464.591 3.895 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccn1 223173561 PDRMLMHODZIISS-RPBOFIJWSA-N 476.650 3.579 10 40 JHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 408529969 JUOXESABRMPKPR-ODLFYWEKSA-N 473.938 3.863 10 40 JHCB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 3355460 KNWOGBOUDXGQMY-UHFFFAOYSA-N 492.500 3.643 10 40 JHCB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 9155075 BFPNBRFSKBBWGT-UHFFFAOYSA-N 468.557 3.803 10 40 JHCB N=C1/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 9159558 WHCWNWXXZRQCNO-NJOZZACWSA-N 454.895 3.665 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 408873593 SQMPYORWSGYDGR-WOJGMQOQSA-N 490.297 3.919 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c(C)c1 409136309 SIDFGJFEUITDNF-FYJGNVAPSA-N 453.564 3.606 10 40 JHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)ccc21 409191794 NMMFKLRBLGJMBC-OOIIIRTPSA-N 498.358 3.881 10 40 JHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 101099910 LPDWULDRQPISCQ-YPAWHYETSA-N 455.441 3.829 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 224021266 PFAVQSZTCVTWPT-UHFFFAOYSA-N 457.640 3.699 10 40 JHCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)cc1[N+](=O)[O-] 409192708 ZKJIGVZSJHQKDH-GZTJUZNOSA-N 477.454 3.693 10 40 JHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(C(=O)O)c2)SC1=S 618255277 UYZZCEIROFLSBI-XIDKLXSXSA-N 456.545 3.673 10 40 JHCB Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2)cc1 1669826 BJGRUKRKEJXWKT-UHFFFAOYSA-N 477.498 3.879 10 40 JHCB CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2)s1 9075707 HDKHUSGIFSBYMS-QGOAFFKASA-N 468.564 3.620 10 40 JHCB O=C(NN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 11565589 CCCGQNXVKHXRGP-CRAVZTJYSA-N 456.461 3.605 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 13672134 PLQDUSARLYJTOS-SANMLTNESA-N 477.586 3.820 10 40 JHCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)n(CC)c2=O)Sc2ccccc21 33908605 YODCZXQDLZEUCZ-CBAIGBLSSA-N 497.045 3.854 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)cc1Cl 41077681 DVEAYORSTIPAOA-FREPTNQOSA-N 475.983 3.677 10 40 JHCB COCCN1C(=O)/C(=C(/C)c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 51347631 WENBLJGGZHCNER-XLYJWPIUSA-N 486.663 3.723 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]23)cc1 100154586 YZLMQFDOSNTTNR-HJOGWXRNSA-N 465.505 3.728 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1C 106757025 GUFGITARKHVTQC-STZFKDTASA-N 481.574 3.930 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(=O)O 223270150 GITIGFQDXXBHAK-DHIUTWEWSA-N 463.607 3.721 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18249615 JMMQRWZZOPIFOI-FSSWDIPSSA-N 482.448 3.598 10 40 JHCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1 20207310 AEBXXTQBEGKVCH-PLLOTBJKSA-N 482.587 3.974 10 40 JHCB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854986 NLGZHUNJLNPZEU-QFIPXVFZSA-N 479.606 3.988 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223636193 VUFVBUYPHJMEQV-XZOQPEGZSA-N 464.591 3.631 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)S1 408756874 UOSBZNOOISUHTA-YVLHZVERSA-N 495.376 3.632 10 40 JHCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 409047069 MOSHKTVGVQHOQV-OQLLNIDSSA-N 463.273 3.845 10 40 JHCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(I)c1 910390 UNSNJYNPHNWOBU-ZROIWOOFSA-N 469.076 3.515 10 40 JHCB O=C1N=C(O)/C(=C/NN2CCCC[C@H]2c2cccnc2)C(=O)N1c1ccc(Br)cc1 8974805 BBHOMUNUAXFZEW-FDWYHIAWSA-N 470.327 3.883 10 40 JHCB biogenic O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 10232791 PMVWQSDURRWRQX-KXQKXUNCSA-N 482.879 3.637 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 13942514 BAQNJWPLSBOWTA-INIZCTEOSA-N 468.575 3.971 10 40 JHCB COc1ccc(N2CCN(C(=O)C3=NO[C@@H](CNc4ncc(C(F)(F)F)cc4Cl)C3)CC2)cc1 20365891 BFTXQPDALYSEQY-QGZVFWFLSA-N 497.905 3.668 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)CC2)cc1 25635044 JBKPLPPKWAMOFH-UHFFFAOYSA-N 474.586 3.791 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 41084735 YVSDTUCUCDMRIQ-SUBHDOALSA-N 479.518 3.570 10 40 JHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)C1 225210773 AKDLZARBJJSTKA-RTBURBONSA-N 461.603 3.701 10 40 JHCB Cc1ccc2nc(NCCCO)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 8827834 RHOGTIGHHOMPPT-HKWRFOASSA-N 494.642 3.631 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 9494168 OFTPMALALOFSGC-FLCOOLOBSA-N 492.578 3.953 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OCC)c3)C(=O)NC2=S)c1 16693225 DYDHGUXFLJNKKR-NVNXTCNLSA-N 491.363 3.783 10 40 JHCB CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18115845 UMLULVIXRRRYMS-VABKMULXSA-N 467.477 3.780 10 40 JHCB biogenic C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 223887167 LUZBMLZXHZBDNY-GOSISDBHSA-N 464.031 3.969 10 40 JHCB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408591036 HYVBKUYRUQWWCD-HNNXBMFYSA-N 472.950 3.885 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408876928 RSKFOBVNZKUDAA-MHWRWJLKSA-N 476.270 3.665 10 40 JHCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138130 SYIVJZVRVWCGNM-XMMPIXPASA-N 464.610 3.668 10 40 JHCB Cc1cc(C(=O)COC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 9592858 NPYRGRZWNFVWHP-UHFFFAOYSA-N 479.920 3.567 10 40 JHCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)CC2)cc1 9667877 NGUGARNHFISPTP-UHFFFAOYSA-N 495.601 3.532 10 40 JHCB COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5ccccc5Cl)ccc4n3)CC2)cc1 39383825 JXOFSLRUURXEOM-UHFFFAOYSA-N 461.953 3.828 10 40 JHCB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)CC1 108190541 ULIASCLJGUWWRE-BOPFTXTBSA-N 466.401 3.810 10 40 JHCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 409144302 OMMNDZFMCSKPFH-SYERDGIWSA-N 457.621 3.890 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c(Br)cc1OC 409242723 XYIGVXLOMVRMBU-GXDHUFHOSA-N 489.322 3.922 10 40 JHCB COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cn1 1565524223 GQEHERCKMQZOPB-AREMUKBSSA-N 467.529 3.831 10 40 JHCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3C)CC2)cc1 9356497 KNAPEBVUHJRRPF-UHFFFAOYSA-N 495.601 3.532 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)c2C)cc1 17597875 ULAYAKNJIOVHJC-UHFFFAOYSA-N 489.528 3.584 10 40 JHCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4cc(NC(=O)C(C)C)ccc34)CC2)cc1 36358677 PLDNVJKUWIIVKQ-QHCPKHFHSA-N 450.539 3.719 10 40 JHCB COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 95471466 CPBYLMDGISPMTG-UYRXBGFRSA-N 498.952 3.658 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O 408537541 WDCTVIWIHWXUCN-SXGWCWSVSA-N 462.380 3.696 10 40 JHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409394091 VMPZKIQNOODTJR-GDNBJRDFSA-N 483.234 3.679 10 40 JHCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 9309904 BTSQXFOZHSVEGV-ZROIWOOFSA-N 472.284 3.788 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]23)cc1 13512113 DXCMTIXTNZQAPA-XPWALMASSA-N 469.468 3.825 10 40 JHCB COc1cc(-c2nn(CN(C)Cc3ccc(N4CCOCC4)cc3)c(=S)o2)cc(OC)c1OC 16878608 COTKMEWXBOAMFM-UHFFFAOYSA-N 486.594 3.824 10 40 JHCB CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c2ccccc21 21739287 BNQLGZVFKYCKBV-UHFFFAOYSA-N 479.558 3.756 10 40 JHCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC 96221275 DCDGWDFLENLRIY-ZDUSSCGKSA-N 492.436 3.741 10 40 JHCB biogenic O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1F 98002906 RXKUGTRHHFCTDU-IUXPMGMMSA-N 464.927 3.839 10 40 JHCB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100100414 CZZJCQPLINEEBE-XPWALMASSA-N 485.467 3.920 10 40 JHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1Br 105706160 ZBIUHEWLDJCONS-NTMALXAHSA-N 454.708 3.985 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1 108930088 DZVCKCPXAJMIFP-XSFVSMFZSA-N 489.459 3.518 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 210511351 TXZWNXLQXRHVTC-KPKJPENVSA-N 466.085 3.584 10 40 JHCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 409166142 CUCAMXGETBTMHE-SRZZPIQSSA-N 465.531 3.999 10 40 JHCB Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c(O)c1Br 6142935 XWNBFHRMGNVSMS-UHFFFAOYSA-N 466.107 3.935 10 40 JHCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 13799257 KGKMQGGZYZGXQX-FXBPSFAMSA-N 451.617 3.935 10 40 JHCB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 16914725 BBPVLSFNPYFMEA-VWLOTQADSA-N 495.645 3.848 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C(=O)O)cc1 223270617 KWALLZACVMLYAZ-DHIUTWEWSA-N 463.607 3.721 10 40 JHCB CCN1C(=O)C(=Cc2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C(=O)N(CC)C1=S 408543429 RBPIBFHUJSGIBA-UHFFFAOYSA-N 475.570 3.855 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(OC)c3)C2=O)cc1 408875517 JNGAHTTXABQAAY-LICLKQGHSA-N 476.270 3.529 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(I)c3)C2=O)cc1 408984233 IJRNYROAHIGMFC-GDNBJRDFSA-N 476.270 3.529 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cccs1 409061385 WVAYRDLMZGNPFW-BTZCDPCDSA-N 493.654 3.850 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OCC)c3)C2=O)cc1OCC 409192569 CJRPVEHIZWQWOG-CPNJWEJPSA-N 482.533 3.943 10 40 JHCB CCN1C(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC1=S 2959741 MXHIENAJNZYDFX-PTNGSMBKSA-N 450.519 3.584 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 8819410 QLJFLKNXEPNTTQ-UKWGHVSLSA-N 472.632 3.990 10 40 JHCB CCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 13505545 SFAQJWPFDIHJOH-HSZRJFAPSA-N 480.613 3.605 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 13571552 IKEAXQUWETZWMG-RGYUWNBKSA-N 495.535 3.698 10 40 JHCB CCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1 24292740 FJFNNKDPHQRUPE-UHFFFAOYSA-N 483.590 3.766 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c2C)cc1 40158985 FBPQSDSKNNQHGH-RDPSFJRHSA-N 456.564 3.673 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]23)cc1 100675469 DXCMTIXTNZQAPA-VABKMULXSA-N 469.468 3.825 10 40 JHCB COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O 408548670 KXJDPTDCTXMZKX-YBFXNURJSA-N 482.334 3.826 10 40 JHCB COc1cc(OC)c(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 409147627 YFXDMSIWWYMNJF-MRXNPFEDSA-N 453.383 3.833 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1745668 GFDIFZZKEXBTOG-HKWRFOASSA-N 494.642 3.877 10 40 JHCB COc1cc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc(OC)c1OC 9187877 WVIZMOZPQKYBCF-ZHZULCJRSA-N 457.527 3.644 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2C)cc1 9986874 RGTQBADHSHCQSC-UHFFFAOYSA-N 490.965 3.833 10 40 JHCB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)n1 13930242 LXWVBPLGECVXEN-UHFFFAOYSA-N 497.573 3.678 10 40 JHCB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034530 BRGFIDLZYOITMR-NJPLLEPOSA-N 460.508 3.518 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)C(O)=NC2=S)cc1 18193408 OLEVGXPEWWDRJY-KGENOOAVSA-N 488.569 3.944 10 40 JHCB Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1cccc(Br)c1 21284635 VIMPUYQFEFBZCH-UHFFFAOYSA-N 494.345 3.993 10 40 JHCB CCOc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 32192941 DTVWYCCMSVQSNH-WQLSENKSSA-N 479.327 3.827 10 40 JHCB O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/Nc2ccc(Cl)cc2)SC1=S 36633774 NRVGXIFLRPRXBO-DHDCSXOGSA-N 476.992 3.561 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 54360701 PUDLPTHKLSPKBR-YVLHZVERSA-N 460.508 3.850 10 40 JHCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCC(=O)O 85878993 UPHZXQRAYWSQGS-UHFFFAOYSA-N 479.445 3.755 10 40 JHCB biogenic CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 408817262 VNXNEUKMYSQGGY-DEDYPNTBSA-N 461.543 3.653 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C 409168307 PWPUVAJGHPAKTH-XMHGGMMESA-N 489.553 3.721 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504598 YVKYIAIXKYXTFR-SANMLTNESA-N 454.578 3.950 10 40 JHCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 32109799 KUQRFRPHGQHUSG-WJDWOHSUSA-N 459.300 3.665 10 40 JHCB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 222833622 NOKKTOBGFIMVKD-HSZRJFAPSA-N 459.612 3.547 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 408955844 UVEHXNVCYMSJAZ-RGVLZGJSSA-N 460.417 3.800 10 40 JHCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 409086155 FYJKYXSAAFANRG-LFIBNONCSA-N 462.358 3.661 10 40 JHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1C 9891816 LMUBYQFNJOAYPX-HYARGMPZSA-N 486.528 3.624 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 16734615 BQFMMMAYIZCYJD-NFMLXDHJSA-N 458.609 3.594 10 40 JHCB COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(OC)c1OC 33893427 WQZKUAVQZUIPID-GXDHUFHOSA-N 461.268 3.982 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 59302222 ROBHWVKQXVQHLC-LFIBNONCSA-N 490.379 3.872 10 40 JHCB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 100421943 LEGPEBKOBIHWOJ-NLJXWPIHSA-N 493.604 3.703 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1 205737139 FERGSQZPIIGRGA-YBFXNURJSA-N 456.520 3.869 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] 408852740 VYHQATGWXQENAR-JXMROGBWSA-N 452.275 3.742 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408865815 FVJBABRTFCRIHO-HYARGMPZSA-N 488.471 3.878 10 40 JHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409011387 GIZXIDXARBQXHS-LEBHLANCSA-N 473.507 3.999 10 40 JHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409046849 KXPOTDKVAGXOGD-YBFXNURJSA-N 456.520 3.789 10 40 JHCB O=C(O)CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2288733 QLQUIBKJMFTJLG-KWZJRMENSA-N 476.488 3.764 10 40 JHCB CCOc1ccc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 3635738 UTXMGQIQDNUKIO-UHFFFAOYSA-N 460.511 3.949 10 40 JHCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 6176918 UGGMNWHHUWUJHD-HEHNFIMWSA-N 467.616 3.635 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)cc1 12363164 YAEOMBOGHBOIKS-XDHOZWIPSA-N 476.470 3.622 10 40 JHCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 32121366 IMTBEAHKSQDZEG-UEXGIBASSA-N 474.966 3.886 10 40 JHCB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 57054204 CGWOUQBLPBCFOH-OAHLLOKOSA-N 470.957 3.766 10 40 JHCB O=C(CC(=O)N1N=C(c2ccccc2)[C@H](/N=N/c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 102982025 CTRQZCVKJVXKSW-XHWLHZJSSA-N 487.447 3.778 10 40 JHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408526397 BFUGTSVVVYEXDE-CYVLTUHYSA-N 462.529 3.725 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)N3CCOCC3)SC2=S)cc1 408576536 WFSFMJRPGFMVOW-ZHZULCJRSA-N 454.573 3.638 10 40 JHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3c(O)ccc4ccccc34)C2=O)c(OC)cc1Cl 408777492 AOWZOWQVMBCUJC-OQLLNIDSSA-N 452.850 3.882 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1 408858557 QEGWRIGHHGYRDO-GZTJUZNOSA-N 451.366 3.669 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 409087594 IZJPWCMFYDMDCC-FMIVXFBMSA-N 451.262 3.686 10 40 JHCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)c2C)cc1 409127648 FBPNGVNSBZCYQY-STZFKDTASA-N 483.590 3.624 10 40 JHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F 681144 QQNZULAVIRNFDK-UHFFFAOYSA-N 450.333 3.594 10 40 JHCB CC(=O)Oc1c(Br)cc(Br)cc1C=C1C(=O)OC2(CCCC2)OC1=O 58866203 LWJFJLAQUXCFMA-UHFFFAOYSA-N 474.101 3.891 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 62825024 GKVKYUKBPLIPKH-KEBDBYFISA-N 469.563 3.876 10 40 JHCB COc1ccc(N2C(=O)N=C(O)/C(=C\NCCC3CCN(Cc4ccccc4)CC3)C2=O)cc1 102708938 CDJAOSRCDONTPK-HAVVHWLPSA-N 462.550 3.894 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409236333 DZIPJBOCLYACNX-MHWRWJLKSA-N 476.316 3.505 10 40 JHCB COc1ccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1 19826267 PEIXEVGHFKTHBI-AREMUKBSSA-N 499.619 3.858 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=N)N21 20205890 RAPWPULBUREMST-FPYYEXTBSA-N 497.989 3.964 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 21585284 PKIWEWCAKNKXNB-UHFFFAOYSA-N 479.602 3.548 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=N)N21 32961244 XQOGBVSXIGXSAL-AJUKGGFZSA-N 462.940 4.000 10 40 JHCB COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 33292924 JAUSSTJEHGEDPH-UHFFFAOYSA-N 495.605 3.560 10 40 JHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(OC)c(OC)c1 41078438 IZASPQVKNVVGJX-NPHXDMLASA-N 477.473 3.772 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)c1C 409127076 CFMKLNULHMUILO-FYJGNVAPSA-N 472.570 3.641 10 40 JHCB CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2cc(OC)ccc2OC)C(=O)N=C1O 2050708 WZGJCXOMHLPWNM-FOWTUZBSSA-N 463.446 3.869 10 40 JHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc(C(=O)O)c2)c1 9310767 UNXBURJFSIEEJL-KGENOOAVSA-N 458.495 3.795 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15989001 HHSCJNGFGUWKRA-NAVOZUGXSA-N 472.541 3.903 10 40 JHCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OCCc4ccccc4)c(OC)c3)C2=O)cc1 16196240 SDBXTJGSNZSANA-JWGURIENSA-N 472.497 3.565 10 40 JHCB CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(CC)CC4)c(O)ccc3c2=O)cc1 20567540 SJUNCJBNVRNCEB-UHFFFAOYSA-N 466.534 3.914 10 40 JHCB biogenic COc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(OC)cc4)CC3)[C@@H](c3ccco3)C2)cc1 57363158 SPLLWFPAKGUEPQ-RUZDIDTESA-N 474.561 3.797 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OCC(=O)O)c(OCC)c3)C2=O)c1 59105277 PYINRMRWLOILFC-GZTJUZNOSA-N 498.488 3.853 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223636595 VNDLTPWYPLKRBD-XZOQPEGZSA-N 464.591 3.631 10 40 JHCB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225952174 RDRJZUHYACRLBT-FQEVSTJZSA-N 495.697 3.779 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(C)cc1 408530260 DQCQYXKCVRGCSD-ARXLQFRPSA-N 474.513 3.873 10 40 JHCB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 408532160 MAWUNUMLFBJZTL-LFIBNONCSA-N 472.295 3.513 10 40 JHCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1N1CCOCC1 8763607 JJZCVEHUZIWEOV-YBEGLDIGSA-N 451.913 3.957 10 40 JHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCCCC3)ccc21 13008139 YRAXFAHZXPDPGN-JOCHJYFZSA-N 474.527 3.980 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cs1 408902261 GMRRXUAWQZVZQQ-WUXMJOGZSA-N 456.115 3.940 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409132083 KYXUPHSFJSKYPK-NTEUORMPSA-N 464.280 3.636 10 40 JHCB COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 4010481 ITCQMQJPRGFTLU-XPWALMASSA-N 467.477 3.699 10 40 JHCB CCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 8769513 FUNNBOMMGLUSPM-ZJYZBMPFSA-N 480.615 3.760 10 40 JHCB CCCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc2c1=O 12644754 COZHYYWMMQIRED-UHFFFAOYSA-N 466.607 3.646 10 40 JHCB CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1ccccc1 13306946 LXHUIBMWEWKPCT-FLPXOHCLSA-N 496.617 3.780 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 13671270 XVMHEOQOQKNDRE-UHFFFAOYSA-N 456.395 3.676 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N2CCN(c3ccccc3)CC2)cc1 16914903 SLSJAPZULGQWRP-SANMLTNESA-N 482.625 3.734 10 40 JHCB COc1ccc(N2CCN([C@@H](CNC(=O)NCCOc3ccccc3)c3ccco3)CC2)cc1 77200636 KJHHVYSPWKVCPI-DEOSSOPVSA-N 464.566 3.530 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223655025 NZTGAHOFGKCORQ-GOTSBHOMSA-N 478.574 3.723 10 40 JHCB COc1ccc([C@H]2CN(C(=O)c3cc(N4CCCCC4)ccc3OC)CCN2C(C)=O)cc1 257296055 RBAVDNILVIQPOD-XMMPIXPASA-N 451.567 3.740 10 40 JHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408527286 DFEOGDVRPNKORY-SILNSSARSA-N 458.566 3.894 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(OC)c3OC)C(=O)NC2=S)cc1 409376243 WFPPNBVOAYVNPF-MHWRWJLKSA-N 475.364 3.860 10 40 JHCB COc1cccc([C@@H](c2ccc(C)cc2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1O 12976643 GCQSGJLCLDRNMX-XMMPIXPASA-N 470.566 3.944 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1F 223139999 WDDFQHXEXHVLSN-DQEYMECFSA-N 479.625 3.933 10 40 JHCB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408538223 ZHQQBUHMWQTOPK-ULCSDPTMSA-N 456.498 3.956 10 40 JHCB COc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 409378135 MKTQYZOFQKZBNH-HAHDFKILSA-N 499.523 3.996 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc(OC)c1OC 6906098 ZJKHIXOUQVORBX-HMMYKYKNSA-N 486.615 3.663 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 8772092 OHTUEZHHJSLYBA-BBMJWPBGSA-N 480.615 3.840 10 40 JHCB COc1cncnc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 101114202 HOKSVGXPQSTNNY-YBFXNURJSA-N 498.952 3.658 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 170595838 IKJZOSHZSFGXNE-ULRFPSMUSA-N 498.674 3.865 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)o1 409173157 LHHSAQVMYXQJKF-FOWTUZBSSA-N 479.470 3.703 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(OC)cc2Br)C1=O 409240905 VJCAWEAANKHPJO-UKTHLTGXSA-N 475.295 3.531 10 40 JHCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409268602 WKVUGQOMGKEUPP-XSFVSMFZSA-N 473.460 3.818 10 40 JHCB CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)s1 2938670 CLCNRICSUOAXHT-KAMYIIQDSA-N 476.605 3.507 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H](CO)Cc1ccccc1 10232954 JYEKEIXDYCFYEZ-UZNZLNSGSA-N 461.008 3.651 10 40 JHCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCC(OC)OC)cc1 20288425 JANHTLBQKINKQR-ZHZULCJRSA-N 452.536 3.538 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)cc1 22929320 ATCDGPLMYATKEL-HHHXNRCGSA-N 485.611 3.834 10 40 JHCB COC(=O)c1scc(C)c1N/C=C1\C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 984526 XOHMXOYURBUMBC-SFQUDFHCSA-N 455.536 3.581 10 40 JHCB Cc1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 1176913 KSJUODOVRMEIEC-PDGQHHTCSA-N 499.017 3.978 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc([N+](=O)[O-])cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 8424489 ATTNVRVIUGFYAF-FSSWDIPSSA-N 482.448 3.598 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(NCCCn3ccnc3)nc12 8743792 IDHLQOMGJNZSRV-RGEXLXHISA-N 496.662 3.949 10 40 JHCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1F 11917077 ILERAJJMQQROFJ-FQEVSTJZSA-N 471.554 3.685 10 40 JHCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cccc(C(F)(F)F)c4)n3)CC2)cc1 54274378 PIGZYKLJVMIQPR-UHFFFAOYSA-N 459.476 3.547 10 40 JHCB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 409348066 OQJJGIKGZAFNIG-DVZOWYKESA-N 487.559 3.772 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)cc1 2220245 QWOLTQTVADBTRU-STZFKDTASA-N 476.485 3.716 10 40 JHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)OCCCO2 9950789 FKGREFLNJYHMLM-UHFFFAOYSA-N 466.562 3.511 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)ccc1OCC(=O)O 16196178 DYYFWEHKRMBVDF-ZSOIEALJSA-N 491.319 3.593 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)NCc4ccc(C)cc4)ncn3)CC2)cc1 49006857 NOCMGZSDXFVFKY-UHFFFAOYSA-N 463.607 3.529 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 408550306 FUTAJWOSFSHBAS-DEDYPNTBSA-N 467.547 3.539 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 409338110 DDHKHUAQWZALFE-GDNBJRDFSA-N 496.351 3.846 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(C)n1-c1ccccc1F 8707243 QMUGSLXXARUUCH-IBGZPJMESA-N 499.612 3.815 10 40 JHCB Cc1cc(C(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 21481867 MPRZTLJTYZUQFM-UHFFFAOYSA-N 474.966 3.754 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1Br 32099553 GPRRHILTWJZUNN-ZSOIEALJSA-N 465.145 3.739 10 40 JHCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1ccc(Cl)cc1 104124061 QBYVQVCDJSUMGT-MWFTZXFNSA-N 486.941 3.919 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408808662 QQMANPVPZHTWCI-FYJGNVAPSA-N 473.441 3.849 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409093376 ZHWBCGZFNGTKNY-WOJGMQOQSA-N 490.384 3.667 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9259811 AOWMNUHSJLERCJ-OQLLNIDSSA-N 480.816 3.693 10 40 JHCB C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CC(=O)Nc2ccccc21 15688131 JCGSFHUSKFKMIH-ZDUSSCGKSA-N 488.883 3.646 10 40 JHCB CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)cc1 33458317 IDCPLPMUSMFTIA-VVWLUFOWSA-N 484.603 3.861 10 40 JHCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(F)cc1 33587356 SSULQNKLMSHTGW-MOSHPQCFSA-N 465.868 3.958 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCc3ccccc3C2)cc1 36683823 BGFNGIPXXYFDIO-RUZDIDTESA-N 478.543 3.885 10 40 JHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408851570 CYSGCRLRLPWWGU-UDWIEESQSA-N 460.417 3.769 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1C 409003465 HCQYAMYBQYSQEA-HAHDFKILSA-N 469.497 3.987 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c4ccccc34)[C@@H]21 1616044713 UEKFIXRLPNJXFJ-UXDLUSBVSA-N 498.627 3.942 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 665330 UHOXNXNFRYYRMP-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135709 WLBMXVBPLFYLKD-QHCPKHFHSA-N 455.002 3.923 10 40 JHCB CC(C)C1=NN2C(=N)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N=C2S1 9334451 IJIHKTWSEOXZKI-OUDZLSHESA-N 499.530 3.638 10 40 JHCB CCCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 15277300 FHYZSIFHXJINBM-WJDWOHSUSA-N 492.313 3.940 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 22929920 IDOUCNXSILOLNW-AREMUKBSSA-N 459.642 3.631 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223708121 HULSDJMEMCUWAN-BJKOFHAPSA-N 492.601 3.811 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Br)cc1OC 409175329 XGKQWHMRKBEKCX-UKTHLTGXSA-N 491.363 3.696 10 40 JHCB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 10059031 IYJKPJLOHLWHQP-UHFFFAOYSA-N 458.455 3.977 10 40 JHCB COc1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383434 UVRHKJVALDXLFP-UHFFFAOYSA-N 492.553 3.510 10 40 JHCB COCCCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nc2cc(Cl)ccc2c1=O 12634366 VFPJWEYYTUCDSO-UHFFFAOYSA-N 475.014 3.561 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 21341686 FFCOMIGACBHPSO-UHFFFAOYSA-N 466.559 3.846 10 40 JHCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3c(C)cc(C)cc3C)c3cccnc3)CC2)cc1 56896368 FXGZSLOQZLZDTO-AREMUKBSSA-N 494.661 3.857 10 40 JHCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1 408528975 GNDJYHOFRBOXKT-XNTDXEJSSA-N 471.311 3.663 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 409246337 BFVOGODFTLTGDT-ODLFYWEKSA-N 462.333 3.932 10 40 JHCB COc1ccc2c3c(n(CCc4nnc5ccccn45)c(=O)c2c1OC)-c1ccccc1C3=O 604405545 PWACEXDGOMEQGL-UHFFFAOYSA-N 452.470 3.516 10 40 JHCB biogenic CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(I)c3)C(=O)NC2=S)cc1 107762955 ZYBYJWWZHOWABE-XNTDXEJSSA-N 492.338 3.694 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 20207053 HTSLWCIFGMPBRG-ATNGQLTKSA-N 487.519 3.502 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br 409241642 KXKVKBUVRDWIQH-XFXZXTDPSA-N 464.772 4.000 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)c1 409200051 GAQABXYQHQSOGV-HYARGMPZSA-N 488.569 3.719 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccccc1 409073817 TXBYJDYSKBGPAU-LBKCIFGTSA-N 487.625 3.707 10 40 JHCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)cc1 409343447 HNGLPPKYEBPPIG-ZHZULCJRSA-N 470.576 3.903 10 40 JHCB Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084763 QKKJZBBRFPWKRZ-FOSZEWQZSA-N 462.579 3.938 10 40 JHCB CCCCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 17270496 VDNLGLWFUUUMBD-LBPRGKRZSA-N 463.625 3.683 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 8914543 KGVVBWUWCUCONV-HRXHUYTNSA-N 460.563 3.726 10 40 JHCB Cc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)n1-c1ccccc1 9661699 ONEZJBCUFFQMLY-UHFFFAOYSA-N 489.981 3.793 10 40 JHCB CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497398 RDXWPYKGQHZTDY-YRIIQKNPSA-N 497.595 3.970 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 223157018 GKEDULOTEZUYLQ-UHFFFAOYSA-N 496.589 3.953 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 224035525 CNALQPHMFZUSBY-XMMPIXPASA-N 471.667 3.824 10 40 JHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 408532747 VQARCNKUCXDRFB-NDENLUEZSA-N 453.520 3.518 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)NC1=S 409174976 WZNZKQHDFGRNFI-SFQUDFHCSA-N 462.483 3.793 10 40 JHCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 409217634 QYTAWAWIGVXQTF-XDHOZWIPSA-N 459.414 3.546 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1C 409261399 BOUVKNLMRVEEEW-UCQKPKSFSA-N 485.496 3.693 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S 409349600 QCADZMMYJNQJMX-UYRXBGFRSA-N 457.533 3.846 10 40 JHCB COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 16914078 ZGSQYONSXZGDEV-NDEPHWFRSA-N 488.632 3.820 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1OC 27062554 SAGMYWYHGZJOKZ-AUWJEWJLSA-N 498.704 3.813 10 40 JHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 27530522 WHMFJOXUWBLLAH-RQZCQDPDSA-N 459.505 3.539 10 40 JHCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br 106757011 NTGOORNONCVQQD-WJDWOHSUSA-N 452.374 3.564 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1 10232868 QUKXADQAWCFSIH-ZDLGFXPLSA-N 452.513 3.642 10 40 JHCB CC(=O)Nc1cccc(N/C=C2\C(=O)N(c3ccc(I)cc3)N=C2C)c1 13615049 VLLRRDWGXPYGJE-WQRHYEAKSA-N 460.275 3.968 10 40 JHCB Cc1c(N/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 103106141 NLWMVNAQZHQONX-ATVHPVEESA-N 496.321 3.666 10 40 JHCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408995592 BJYYSOYBXLJTLG-UHFFFAOYSA-N 475.461 3.623 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4cc5c(cc4cc3C)OCO5)CC2)cc1 930037 UDUZRYTZTSKKPB-UHFFFAOYSA-N 451.548 3.721 10 40 JHCB O=C(O)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 1011313 FECOXZWWSSYGKH-NXVVXOECSA-N 475.345 3.656 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505486 KANWDRCRZKBKQK-MUUNZHRXSA-N 497.647 3.902 10 40 JHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N(C)C1=S 59140056 DAEXCXBUGVJPKC-UHFFFAOYSA-N 463.328 3.766 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408955433 ULFHVSPLQKLYJL-YBFXNURJSA-N 487.424 3.569 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCc1ccc(C(=O)O)cc1 409187525 RMYJRTYYXIIERW-UDWIEESQSA-N 490.443 3.778 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 409245460 TZPMIHQVQQTBGG-XSFVSMFZSA-N 473.485 3.857 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4ccsc4c(=O)n3CCC(C)C)CC2)cc1 67689892 RHCVUHDBIBEJNO-UHFFFAOYSA-N 486.663 3.954 10 40 JHCB Cc1nnc(-n2c(=O)cc(O)n(-c3ccccc3)c2=S)nc1/C=C/c1ccc(N(C)C)cc1 100253166 FTNZGXQDMUDPHX-SDNWHVSQSA-N 458.547 3.793 10 40 JHCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C 104123660 SPKMDSSTYIISGD-XZSMOWGESA-N 457.537 3.932 10 40 JHCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)nc1 223192457 KWKHKZONPNXYMS-UIOOFZCWSA-N 490.677 3.887 10 40 JHCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 223216726 KXUQXXOQCBKSIP-LJQANCHMSA-N 459.612 3.575 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223653815 ORBSJBAJYXQPHR-PKTZIBPZSA-N 450.564 3.730 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408531622 HEGPOZSSCUWIHS-QNGOZBTKSA-N 472.453 3.589 10 40 JHCB N=C(N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 5007931 ZBXXIEYBGSMVKQ-UHFFFAOYSA-N 493.549 3.655 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 24875136 INXQBBWOVDFTAP-UHFFFAOYSA-N 496.545 3.553 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)C1 222917449 VYESRRZXBLMILY-GOSISDBHSA-N 453.608 3.701 10 40 JHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408775281 FTVPJKYYINOULR-HMAPJEAMSA-N 464.518 3.794 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)c(OCC)c1 409191207 DIZZDGIMLNTBFJ-DQPIFXJKSA-N 491.500 3.751 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 409210793 KXKULFVMPURXAJ-LPYMAVHISA-N 462.481 3.773 10 40 JHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)SC1=S 409330752 LUYMQRJJEHTYFH-XDHOZWIPSA-N 458.561 3.942 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(Oc3ccccc3F)nc12 2367193 YOLFMFKJITYCHN-WJDWOHSUSA-N 485.518 3.610 10 40 JHCB CCCCN1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 33436265 QSOCMWYILJCGOW-YSKWHIJTSA-N 458.609 3.595 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 41083831 XRWGISBBAYFVEB-MQIWZSEOSA-N 469.592 3.722 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OC(C)C 408693865 ABJTWEMRVCHPFH-RIYZIHGNSA-N 451.317 3.649 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br 409240307 GKMNOBJMXGCFCD-YRNVUSSQSA-N 481.755 3.951 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1 409262488 HKBFPUVFYDLVTN-PXLXIMEGSA-N 485.496 3.688 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(C)n1-c1ccccc1F 8707246 QMUGSLXXARUUCH-LJQANCHMSA-N 499.612 3.815 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)C3C[C@@H]4CCC[C@H](C3)C43SCCS3)CC2)cc1 13098687 VTDGZEXTYADNJO-IHWFROFDSA-N 490.691 3.890 10 40 JHCB Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccc(N(C)C)cc4)CC3)cccc2c1 23442471 BZVZMCYWCDBENF-UHFFFAOYSA-N 480.634 3.669 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223654877 XGGNQWGGJUQALB-XZOQPEGZSA-N 478.574 3.723 10 40 JHCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O 408722495 JNHKOEHIOZQFQP-VZUCSPMQSA-N 482.301 3.750 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409070363 YTVKFPLFUKNHEV-QGOAFFKASA-N 482.901 3.774 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 2182227 UJYHZMNWTKFCRW-RNHBDSLOSA-N 493.654 3.586 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1Cl 2240017 SLZHOHNKZMOSEQ-PZHBDVNGSA-N 482.005 3.518 10 40 JHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13073909 ZZAWYLGJGWENSC-WPBJZHHJSA-N 476.488 3.682 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 13915517 UINWRRHZNZVSDE-UCQKPKSFSA-N 499.523 3.895 10 40 JHCB CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19529586 RDXWPYKGQHZTDY-VWDBNSKXSA-N 497.595 3.970 10 40 JHCB O=C(C1=CN(c2ccc(Br)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 49004046 UDQVAQKHLKPWDT-UHFFFAOYSA-N 483.771 3.728 10 40 JHCB COc1ccccc1NC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)=O 104124411 AFCSRELSTOMAEH-NZXNHFJFSA-N 485.522 3.781 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1O 408815955 JYOUTVXSFBKUMH-AWNIVKPZSA-N 481.755 3.956 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1 409094839 FZSISGYJMNFIKX-MTJSOVHGSA-N 491.569 3.951 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc1c(F)c(F)c(F)c(F)c1F 3666242 FDNKKSOVQZWORE-UHFFFAOYSA-N 456.323 3.617 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S 9851164 NRHYJGRRQMGMJR-YRNVUSSQSA-N 451.729 3.948 10 40 JHCB CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1=O 9946137 APESLIIMKIFMIB-QFIPXVFZSA-N 480.348 3.847 10 40 JHCB COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96220986 UQUFLXLZNHAOQE-AWEZNQCLSA-N 490.420 3.510 10 40 JHCB biogenic COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223290769 YAKMNVBRDUKVOJ-ZEQRLZLVSA-N 477.634 3.810 10 40 JHCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409130479 HSYGOJVXTBEZND-NDENLUEZSA-N 469.588 3.788 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1Cl 409238655 KSFQNAZGXRPQGX-WUXMJOGZSA-N 498.729 3.790 10 40 JHCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 2377867 QNSVPCFXNTYNPF-JXAWBTAJSA-N 472.636 3.985 10 40 JHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409003388 ZVJRTLYSBQHNEJ-YBFXNURJSA-N 490.432 3.810 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 16700520 JTSOONOKRIUKBG-KZJRPFBVSA-N 472.636 3.616 10 40 JHCB Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nnc2N2CCCC2)cc1 19605132 XMPQZGNMHNEGBC-UHFFFAOYSA-N 464.639 3.993 10 40 JHCB C[C@@H](C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12)N1C(=O)/C(=C\c2cccs2)SC1=S 28296928 OICCTNKROGHVMO-FHXOWUIVSA-N 469.613 3.838 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 41083910 RVCZTSQWCKMPRI-HJDDMPKESA-N 493.364 3.720 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 59139554 WWNCESGCFFVMFF-UHFFFAOYSA-N 489.391 3.944 10 40 JHCB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 224874177 COMFMUNMYVDITF-NTKDMRAZSA-N 473.639 3.793 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)c(Cl)c1O 408695038 OCCFSHIEYYTZNR-YRNVUSSQSA-N 457.708 3.611 10 40 JHCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)CSc1nnc2c(n1)[nH]c1ccccc12 2176624 FBHAFGICZWIOJG-UHFFFAOYSA-N 458.532 3.779 10 40 JHCB COc1ccccc1Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3-c3nccn3C)C2)cn1 257236371 HBWHVTZJTXQQMG-NRFANRHFSA-N 468.561 3.891 10 40 JHCB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Br)cc(OC)c1O 408844492 TWAIKLCITJSGNQ-QGZVFWFLSA-N 463.353 3.657 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)N(c2ccccc2)C1=O 409020254 NDSZOOSDPMYTFO-QNGOZBTKSA-N 474.469 3.978 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C)cc1 9670728 OQANDXCWNBGLCE-UHFFFAOYSA-N 497.569 3.779 10 40 JHCB O=C(O)CN1C(=O)[C@H](/C=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2ccccc21 101008361 VTDUJBAKLVJYFG-DZZSIBQASA-N 461.421 3.846 10 40 JHCB COc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 100872182 GPBROFOQGYPWRH-QZKJDMMHSA-N 450.541 3.785 10 40 JHCB CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC 108634978 NNPCIZGHHUFQHA-UNOMPAQXSA-N 458.561 3.942 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(I)c3)C2=O)cc1Cl 408983896 OAUIZLHUDSFZMH-SDQBBNPISA-N 482.661 3.625 10 40 JHCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1N1CCOCC1 13075870 ACKDQFHZWQBJMB-YBEGLDIGSA-N 451.913 3.957 10 40 JHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408786237 HPUJKDFMLKYKPJ-BKUYFWCQSA-N 452.482 3.924 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)c(C)c1 409100030 PHLHGOLTJLZPHV-BKQORJHRSA-N 456.520 3.787 10 40 JHCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCOCC1 409203392 VXLFALADJWYIOG-KGENOOAVSA-N 484.599 3.647 10 40 JHCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nccs1 44085990 ODSHRRHGILYPAA-UHFFFAOYSA-N 467.370 3.673 10 40 JHCB O=C(O)CCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)SC1=S 3325277 VONPDJRXFURAOI-UITAMQMPSA-N 467.160 3.593 10 40 JHCB CCC[C@@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 36034337 PJFUKQUHHPUDEJ-RNLGNXJRSA-N 474.513 3.628 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)cc1 2099505 BXCNKCATQZAMPJ-CIAFOILYSA-N 489.553 3.941 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]23)cc1 101233339 NXQMARQXTKBYIX-FSSWDIPSSA-N 473.431 3.968 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1I 408550488 HGETYKZWULQNFG-MDWZMJQESA-N 452.635 3.611 10 40 JHCB CCCNC(=O)[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc2O1 12974465 KBCONDRMBBQQFY-XMMPIXPASA-N 467.529 3.868 10 40 JHCB Cc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 13096731 PPIBAKGYRWMDFV-LJQANCHMSA-N 453.542 3.920 10 40 JHCB C[C@@H](OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 13098420 MOQWKQZKGBFNLL-OAQYLSRUSA-N 484.552 3.642 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)c3nnnn3Cc3ccco3)CC2)cc1 13505059 SECZEKGEPBOXDZ-QHCPKHFHSA-N 464.957 3.888 10 40 JHCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 35963782 UQPMOAQJAMISLC-HHHXNRCGSA-N 499.615 3.565 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)c(F)c4)ncn3)CC2)cc1 49006837 VLBKSMSZSMYMHM-UHFFFAOYSA-N 467.570 3.990 10 40 JHCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409392431 MNVPCXZVCYOCHV-WOJGMQOQSA-N 450.882 3.818 10 40 JHCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2307134 JILXXHWEGPWXHX-LFYBBSHMSA-N 469.664 3.777 10 40 JHCB Cc1cc(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12561211 PCXFQVXDMVSROQ-QHCPKHFHSA-N 495.601 3.533 10 40 JHCB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OCC(=O)O 96114423 YHRGRTOQMOSTGT-UHFFFAOYSA-N 479.445 3.755 10 40 JHCB biogenic CN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)SC1=S 98086447 WHMGEGKGNRVPRX-RUDMXATFSA-N 467.160 3.506 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223291120 NPWHXZVWBBNVQZ-DNQXCXABSA-N 477.634 3.810 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl 408913651 MRGYNRKSILJBPM-MKMNVTDBSA-N 481.263 3.741 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)cc1O 409238268 DAZMAJJBFGRNNQ-UXBLZVDNSA-N 467.728 3.648 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)C(=O)NC2=S)cc1 409250554 XIKZICCKVZCVHT-RCCKNPSSSA-N 465.575 3.916 10 40 JHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1CCOc1ccc(Br)cc1 2232576 YIRYGXFVXCRCRU-UYRXBGFRSA-N 484.306 3.585 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 8777654 WNPKGIKNZHUNFG-XYGWBWBKSA-N 491.613 3.940 10 40 JHCB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 9438650 LJYBOADVSNGQCG-UHFFFAOYSA-N 459.841 3.568 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 14269041 UUIFKMCHTLSGOD-UHFFFAOYSA-N 450.520 3.594 10 40 JHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(Cl)cc1 34807612 AZLGXYQTJQBWNO-ZHZULCJRSA-N 477.904 3.828 10 40 JHCB Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 408733723 OZOXDXXABGVRCM-VABKMULXSA-N 451.478 3.686 10 40 JHCB CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)sc2c1CCCC2 1251975 XQZBCKXHKXBAPF-UHFFFAOYSA-N 469.563 3.645 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c([N+](=O)[O-])c1 4125176 UDWQQTJLSHHEQM-UHFFFAOYSA-N 452.423 3.734 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102654773 MUTZECGPFVTAMP-YTFSRNRJSA-N 495.487 3.558 10 40 JHCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223191876 IKNMNLHPCPBYSZ-IZZNHLLZSA-N 490.677 3.887 10 40 JHCB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(N2CCCCC2)cc1 225392164 JDTVUFDWZCJNSE-MRXNPFEDSA-N 471.608 3.820 10 40 JHCB COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cn1 1565524227 GQEHERCKMQZOPB-SANMLTNESA-N 467.529 3.831 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504864 QOONVFNKGJHWGY-VWLOTQADSA-N 476.531 3.920 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(O)cc3O)C(O)=NC2=S)c1 38185500 WAOZSPRUEXTUJJ-MLPAPPSSSA-N 463.309 3.931 10 40 JHCB CCOc1ccccc1N1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 23956313 LQGYRQQXQKGGCB-UHFFFAOYSA-N 475.589 3.739 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1 27574400 RYVLTNQVFYTDJZ-UHFFFAOYSA-N 451.567 3.517 10 40 JHCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc21 408527728 FLNUSMSLZKZQHE-FRKPEAEDSA-N 460.924 3.844 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1 408912645 RKDVHNIUMIRORE-OQLLNIDSSA-N 475.364 3.683 10 40 JHCB COc1cc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccc4cccnc4c3O)cc2)nc(OC)n1 6013563 CVDLHJRZFLCRCM-AWEZNQCLSA-N 481.534 3.722 10 40 JHCB COc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)Cc2ccccc2)cc1 10395252 UQQKQRRNSOSPSF-UHFFFAOYSA-N 483.590 3.599 10 40 JHCB CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O)=C\c1ccccc1 13017290 KRBIUBQLRKODFF-CVQNAJEASA-N 472.588 3.607 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18249613 JMMQRWZZOPIFOI-BHIFYINESA-N 482.448 3.598 10 40 JHCB CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 20567717 YOKBRXJEWBYJIW-VEYWIMSWSA-N 497.573 3.712 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1 57434712 QUKXADQAWCFSIH-VCHYOVAHSA-N 452.513 3.642 10 40 JHCB C[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(N2CCCCC2)cc1 225848455 LWNFHVIPYMYNBG-AWEZNQCLSA-N 451.618 3.553 10 40 JHCB COc1ccc(OC)c(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)c1 2965881 BLSCAKMOWADBEM-FQEVSTJZSA-N 450.378 3.637 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 33706555 VTMWTXNBVINWJU-ODLFYWEKSA-N 490.428 3.552 10 40 JHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br 408551940 PFRKRLWFLGJULN-SFQUDFHCSA-N 466.401 3.954 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl 408911825 DPXKCWCAKCZNLH-QPEQYQDCSA-N 495.782 3.947 10 40 JHCB COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)N(c2ccccc2)C1=O 409020253 NDLBZFBKINKBFF-JWGURIENSA-N 460.486 3.882 10 40 JHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409043884 BGEXTHSJCJSMOP-NTUHNPAUSA-N 450.234 3.967 10 40 JHCB CCN1CCN(c2ccc(N/C=C3\C(=O)N=C(S)N(CCC4=CCCCC4)C3=O)cc2)CC1 1270746 JFDPKDCHYIGWFH-RELWKKBWSA-N 467.639 3.669 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)CC2)cc1 9791859 RXSIUNPXYVYSDY-XMMPIXPASA-N 488.613 3.928 10 40 JHCB O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221317 DSBXKGFFIZMKHT-CYBMUJFWSA-N 499.431 3.565 10 40 JHCB biogenic Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 101489783 JLYNNJFGIDTPQX-BHDDXSALSA-N 455.441 3.829 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cn1 108138395 MUDNTJXRKBEYSA-SXGWCWSVSA-N 466.837 3.906 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C)cc1 408803670 RUJXEXHNFSJWAB-FYJGNVAPSA-N 458.470 3.955 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(CC)C(=S)N(CC)C3=O)c2C)c1 408967101 PEQFPTBJSIBACN-UHFFFAOYSA-N 453.564 3.650 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 8741376 UGXAZLCLOTZGJV-FEGZGKEQSA-N 490.589 3.734 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 8819547 YCYIGRSYZBZZOK-PDGQHHTCSA-N 484.555 3.792 10 40 JHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)ccc21 409196171 XJLMSAJIIUQPAR-VAKHEIKFSA-N 498.358 3.881 10 40 JHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2441178 ZUTDAWTWLZTAEP-DKTFCQPKSA-N 460.514 3.685 10 40 JHCB COc1ccc(N2CCN(C[C@H](NS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1 58163970 ZOILSBGSIYRQJT-VWLOTQADSA-N 451.592 3.537 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223707947 LHTXJPKOIRXGTK-DNQXCXABSA-N 492.601 3.811 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1)Nc1ccccc1 408911658 BGQVXLIGQMSOLM-FYJGNVAPSA-N 459.433 3.510 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OC(C)C 409191639 JXFLESAMRCFAGB-OVCLIPMQSA-N 474.922 3.665 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c(Br)cc1O 409341271 AOSOIMFLJYIXJO-MLPAPPSSSA-N 471.379 3.771 10 40 JHCB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)NCc2ccco2)cc1 6239773 VLGRBORXCOETDR-UHFFFAOYSA-N 477.542 3.935 10 40 JHCB O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21 9090413 PTQMDQLZWLROQP-UHFFFAOYSA-N 480.567 3.563 10 40 JHCB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 9209301 FSBFBPNQXWOYCZ-XOJVXBCLSA-N 484.666 3.912 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)c2C)cc1 9284383 UIJMLAWOILJHQB-UHFFFAOYSA-N 462.424 3.709 10 40 JHCB CCOC(=O)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003860 ZQBYCTHCBSFPHX-UHFFFAOYSA-N 460.939 3.906 10 40 JHCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OCC 59135290 ANCLLCGOQXTWDA-GZTJUZNOSA-N 456.426 3.673 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408877100 SRDUZTFBIPYONT-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 409135229 TYTMNDUQWRCQHR-NDENLUEZSA-N 489.439 3.723 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1 9311641 OKQUEXKXUKMQMU-LDADJPATSA-N 450.447 3.704 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1OC 12733566 DBGUUXZEBIYJHD-PDGQHHTCSA-N 474.560 3.648 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@H]23)cc1 17118321 NXQMARQXTKBYIX-FKBYEOEOSA-N 473.431 3.968 10 40 JHCB CCOc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OCC)c1OCC 22733451 YVOSCBYGNWFYRI-DEOSSOPVSA-N 497.636 3.678 10 40 JHCB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(Cl)c4)c32)c(OC)c(O)c1O 66091438 BNYMNMUVBFJULL-GFCCVEGCSA-N 458.854 3.731 10 40 JHCB O=C1C[C@H](c2ccc(F)cc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221682 GDWIULRWBOUZOM-CYBMUJFWSA-N 450.374 3.863 10 40 JHCB biogenic O=C1[C@H]2[C@@H](C(=O)N1CCc1ccc(F)cc1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101825376 JRMSIISGGKEVCG-DNVJHFABSA-N 469.468 3.559 10 40 JHCB Cc1ccccc1NC(=O)COc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107697153 OGZQHJAOSLWATC-JCMHNJIXSA-N 470.529 3.540 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)N4CCCCCC4)cc3)CC2)cc1 408588215 CYFGLPULHPLUIQ-UHFFFAOYSA-N 472.611 3.614 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C)cc1 408954577 RPPHHEWMACGSMD-RGVLZGJSSA-N 486.480 3.978 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)SC1=S 409139434 AJGSDFLPPKJGAB-MOSHPQCFSA-N 457.621 3.747 10 40 JHCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)c(Cl)c1 409162326 UCDIEFXVPDJVMH-CXUHLZMHSA-N 462.936 3.658 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409409773 QZLRCCPFWYUCID-SDFSPDLMSA-N 485.452 3.684 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 8451863 NCRVLOUIDFLNMK-UHFFFAOYSA-N 479.533 3.660 10 40 JHCB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9165164 YLKHGYULEGUXBD-XMMPIXPASA-N 464.610 3.750 10 40 JHCB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 12498214 DBICFSMPMVVPEJ-NLJXWPIHSA-N 491.588 3.507 10 40 JHCB COc1ccc(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1 19826023 WNSMOZDQMQCKRK-AREMUKBSSA-N 499.619 3.858 10 40 JHCB CCOc1ccccc1NC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 27530602 QUOFCMGNMKXWDW-XDHOZWIPSA-N 458.561 3.942 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409070442 XPGWBKZMSHVIDC-XMHGGMMESA-N 482.901 3.774 10 40 JHCB NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)sc2c1CCCC2 8820280 XLTREZUZFXKKQQ-GXDHUFHOSA-N 461.590 3.549 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4n(-c4ccc(OC)cc4)c3=O)CC2)cc1 9416980 ZCLUAWMDEANDRO-UHFFFAOYSA-N 498.583 3.684 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 13073969 FWXYZIZMNNGXQL-QJISPJEISA-N 489.527 3.643 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13643888 BOIXKDCOXJAIRB-XYDYMBQBSA-N 486.663 3.723 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 16700516 JTSOONOKRIUKBG-AYWKUQIJSA-N 472.636 3.616 10 40 JHCB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 225275054 LPBMYIIQVANIQG-QGZVFWFLSA-N 450.004 3.828 10 40 JHCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408692214 HGBGOTFTZFGPNK-NTEUORMPSA-N 451.317 3.651 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409074919 OIFCOKXJBSEARZ-STZFKDTASA-N 467.547 3.515 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c4ccccc34)[C@H]21 1616044693 UEKFIXRLPNJXFJ-ULPAPOGXSA-N 498.627 3.942 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)n1-c1ccc(F)cc1 3279437 ZDEOSMIFPPDWNC-UHFFFAOYSA-N 459.477 3.929 10 40 JHCB COc1c(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2 9320777 KWKLPZPCYRRQRK-WQRHYEAKSA-N 499.907 3.605 10 40 JHCB biogenic CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1OCC(=O)O 15012511 MHZLNSBLNMVXKA-DHDCSXOGSA-N 489.278 3.818 10 40 JHCB Cc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 100925614 WDEGXFNJKVPBBC-JCMHNJIXSA-N 490.541 3.683 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223674045 FSEVPDMCGXRAKF-RPWUZVMVSA-N 492.601 3.811 10 40 JHCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 409344391 JBAYUXRXPYBMEQ-LDADJPATSA-N 472.504 3.745 10 40 JHCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 8918187 WGRWGISHTMYQMW-QLXKLKPCSA-N 451.519 3.796 10 40 JHCB biogenic COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccc(OC)cc3OC)CC4=O)CC2)cc1 8991694 FOLUIFUTXHQDFZ-SFHVURJKSA-N 474.561 3.742 10 40 JHCB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 9417907 CCEUBRDOWTWWDA-AREMUKBSSA-N 459.502 3.781 10 40 JHCB CCCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)c(=O)n2CCC 13038703 YSXSTCXSEZYYGO-UHFFFAOYSA-N 479.556 3.999 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2OC)CC1 13504120 QZHKGBMQBLJTFI-XMMPIXPASA-N 463.630 3.804 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13505481 MBIORFVQZNMCCC-HHHXNRCGSA-N 467.621 3.893 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 41083842 GSYIVRCMONEZNQ-HUMIGVHUSA-N 475.983 3.759 10 40 JHCB N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085075 MGYNYGOQSKCFNJ-LDYHWCGOSA-N 463.494 3.717 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4ccsc4c(=O)n3CC(C)C)CC2)cc1 57426277 GTWCEXGTJUINCX-UHFFFAOYSA-N 472.636 3.564 10 40 JHCB O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221263 DTJASHIVIOOMEP-LBPRGKRZSA-N 477.381 3.632 10 40 JHCB biogenic CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 223170026 BDLHZZYHYMYPAJ-KRWDZBQOSA-N 452.020 3.966 10 40 JHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408883519 QBVSPRLVRVVLHD-PXLXIMEGSA-N 484.574 3.763 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(C(=O)O)c3)C2=O)cc1OCC 409209434 BORZGCJLKOCDJU-QGOAFFKASA-N 482.489 3.637 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409254195 VXAILTUOTYEBJM-CIAFOILYSA-N 489.488 3.542 10 40 JHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 9348226 IDONCIXJHONPDF-QGOAFFKASA-N 457.328 3.874 10 40 JHCB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 9445046 YXOOGDURLPNLJH-HXUWFJFHSA-N 460.456 3.809 10 40 JHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 225162081 HUQNXJAQTLQSLJ-RTBURBONSA-N 459.612 3.575 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Br 408763697 QHKPZTYIRFHOJL-MDWZMJQESA-N 464.659 3.986 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408779441 DZFFARHUFVTQID-UCQKPKSFSA-N 490.487 3.991 10 40 JHCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C1\C(=O)Nc2ccc(Br)cc21 753948 RCWHJVOFKFISQQ-YPKPFQOOSA-N 453.079 3.540 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2671998 GIEIJYJPBNFDOE-RGEXLXHISA-N 486.663 3.867 10 40 JHCB O=C(O)c1cc2ccccc2c(/N=N/c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)O)c1O 4887192 ZCGHMFIVQIMDSP-VHEBQXMUSA-N 462.352 3.722 10 40 JHCB CCOC(=O)N1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc23)CC1 41586135 GKVFNRBXNOBNSA-UHFFFAOYSA-N 452.507 3.757 10 40 JHCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccco1 408534826 MNXSWGGDQPGXRG-LDADJPATSA-N 476.441 3.573 10 40 JHCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 409218699 XNBMPTOQOAHLJS-YBFXNURJSA-N 463.421 3.624 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(OC)c1 2376818 MFGZKWPRLPLMPI-UNOMPAQXSA-N 467.572 3.907 10 40 JHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1 8821921 VEFHEOYZVDBAIL-NXVVXOECSA-N 457.309 3.812 10 40 JHCB C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N(C)c1ccccc1 9834412 BIOKDDUEKGHHFO-CQSZACIVSA-N 458.426 3.579 10 40 JHCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1I 13649004 XWWJQZUPXPMRRZ-UHFFFAOYSA-N 486.375 3.769 10 40 JHCB CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1OC 27550313 JGQRJTSOVVHPFX-YBEGLDIGSA-N 474.922 3.962 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)CC2)cc1 27937384 VAKLHGXAYPJOLA-UHFFFAOYSA-N 487.320 3.899 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4OC)C3=O)c2C)cc1 408742142 NIWQMUNCRGVJHF-ZHZULCJRSA-N 473.485 3.556 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408805844 LTYZHFZIVHONDE-UDWIEESQSA-N 488.412 3.748 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1ccccc1F 408877237 UKUZXLNWIUMMJZ-RGVLZGJSSA-N 475.432 4.000 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCc1ccccc1 408956064 VUPVRWPTFWLBLM-YBFXNURJSA-N 472.453 3.669 10 40 JHCB COCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(c2ccccc2)C1=O 409018020 HCEDFYPGCZYTFB-HMMYKYKNSA-N 461.430 3.880 10 40 JHCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)OCO2 409094483 FFDARIKSPXWTIA-WDZFZDKYSA-N 465.314 3.952 10 40 JHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc2c(c1)OCCO2 9468858 KTUDGDDCPBZIBJ-UHFFFAOYSA-N 486.980 3.774 10 40 JHCB COc1cccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2OC)c1 27572706 LACSMNLWVSKFPN-LWCDXBROSA-N 481.530 3.947 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)OC(C)C 36612686 YALWAJVZLCBKJI-UDWIEESQSA-N 466.490 3.920 10 40 JHCB Cc1c(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C 36617160 MGQCUOAYACFDCX-BOPFTXTBSA-N 468.516 3.504 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223673596 ZQAVNNPIDFLVCY-RPWUZVMVSA-N 492.601 3.811 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 6148371 XWRNNGCAZATDOL-UNOMPAQXSA-N 488.587 3.951 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 8036085 LEGPEBKOBIHWOJ-PVIBPIFHSA-N 493.604 3.703 10 40 JHCB Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 10383445 YJHVOUGIFGYKMT-UHFFFAOYSA-N 476.554 3.810 10 40 JHCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1 16323039 ZANCLYVDLGIORW-FOWTUZBSSA-N 457.602 3.839 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1F 16914735 DZXZQAPNFWVSGQ-VWLOTQADSA-N 483.609 3.978 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 225528002 URACCTSKQYTFPP-VWLOTQADSA-N 479.602 3.806 10 40 JHCB COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 409147978 XJQPXSDTLRMMSM-YVLHZVERSA-N 476.963 3.746 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1C 409352540 WMTFXQQYQQXKBU-BKUYFWCQSA-N 496.545 3.723 10 40 JHCB C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 1282017 RZHZCDAPUAIOOC-RRGFCBMYSA-N 458.948 3.931 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)c2C)cc1 12522912 YSYSWAYVTCDWCQ-UHFFFAOYSA-N 470.451 3.713 10 40 JHCB CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=S 59140113 YZKSJVZLUYMCDN-UHFFFAOYSA-N 466.950 3.532 10 40 JHCB O=C1[C@H]2[C@@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 100155773 YRZXQCGDZQBCQW-PCWGFLAMSA-N 467.452 3.862 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 100414051 FOSKOAPDTTZQEB-FSSWDIPSSA-N 455.441 3.829 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2)cc1 260895045 GOTHEEYIEQWFBR-QFIPXVFZSA-N 455.624 3.702 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c([N+](=O)[O-])cc1OC 408853747 XPMSWHOXMPGIQD-UXBLZVDNSA-N 482.301 3.750 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 408943427 SEIZCCINILUIAG-DEDYPNTBSA-N 473.441 3.849 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 1201595 YTNVSJOSRQYHMI-NVNXTCNLSA-N 493.299 3.610 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OC)cc3OC)C(=O)NC2=S)c1 208453516 NHDFJKDXBHVQLN-OVCLIPMQSA-N 491.363 3.696 10 40 JHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)cc(Br)c(C)c2[N+](=O)[O-])C1=O 408535604 TZXLGVVGDNKMDN-UKTHLTGXSA-N 473.283 3.861 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC 408694713 LUMUJHJILKXSDC-NTEUORMPSA-N 451.317 3.651 10 40 JHCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(Br)cc1 408959711 DPNGLCKKCJWTRY-ZHZULCJRSA-N 483.366 3.971 10 40 JHCB CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409212520 QUFRKIQACOGQGO-UHFFFAOYSA-N 470.507 3.560 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223654049 WYBVELRWTAFADB-PKTZIBPZSA-N 450.564 3.730 10 40 JHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Br)c(C)c3)C2=O)c1 408533198 OFZDASRLZYDGGB-XNTDXEJSSA-N 471.311 3.663 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])C2=O)c(C)cc1Br 408534239 PVHFMPDQONQYGA-FMIVXFBMSA-N 459.256 3.553 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408776305 YJFWMNPAMIEGPQ-RQZCQDPDSA-N 486.908 3.574 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 409018702 XTZAMLCOYMHNOV-JLATVTFTSA-N 479.272 3.520 10 40 JHCB COc1cc(-c2nnc(C(=O)CSc3nnc4c(n3)[nH]c3ccccc34)o2)cc(OC)c1OC 3285738 YMOXJAIIJJZBTM-UHFFFAOYSA-N 478.490 3.557 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 9187081 IKEAXQUWETZWMG-MNGFJMBLSA-N 495.535 3.698 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 9471016 RDMDKXAREGBTSR-UHFFFAOYSA-N 492.576 3.759 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 59396256 LGBZKEHHLJVTBV-WOJGMQOQSA-N 460.417 3.800 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c([N+](=O)[O-])cc(Br)c(C)c3C)C2=O)cc1 408536306 WBJXKQLUKQBMMK-ZROIWOOFSA-N 489.282 3.562 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 408783255 NEFZFFQCPYWFRI-HYARGMPZSA-N 457.486 3.856 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCC 408936405 GBZXHSYAFPYECU-OQLLNIDSSA-N 458.854 3.502 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1O 409102224 VJMCRHJTKJJNNM-IZZDOVSWSA-N 481.755 3.956 10 40 JHCB COc1ccc(N2CCN(C(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)CC2)cc1 12562767 SXZUGXQXXOFDEZ-LJQANCHMSA-N 465.497 3.866 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(C)=O 16576065 CXTOIVUJZDBVSP-ZIUWIURGSA-N 466.534 3.687 10 40 JHCB CCCN1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 16734279 ZVQWMYZOKUEFAH-WQRHYEAKSA-N 480.571 3.647 10 40 JHCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1 41084379 YGRPLZSISCTMOP-GDJNFKMVSA-N 462.579 3.620 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccccc4F)c3)CC2)cc1 408556637 IVRIEXBHQBSUGL-UHFFFAOYSA-N 499.564 3.606 10 40 JHCB COCCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)N(c2ccccc2)C1=O 409020478 PSMUZJBLTSWONR-GHRIWEEISA-N 472.339 3.540 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 409021716 UVFFWLZERFTYRH-OEAKJJBVSA-N 486.528 3.721 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)cc3)C2=O)cc1OCC 409196254 YBLARGPTMNBWFJ-XSFVSMFZSA-N 452.507 3.935 10 40 JHCB CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2OC)cc1 409346528 KIURAOTWERCTNW-YBFXNURJSA-N 486.571 3.561 10 40 JHCB CCOC(=O)c1c(N/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)sc2c1CCCC2 638280 GMKKXIZPFSTXNE-ACCUITESSA-N 473.551 3.686 10 40 JHCB COc1cc(/C=C2\SC(=S)N(/C=C\c3nc4ccccc4[nH]c3=O)C2=O)cc(OC)c1OC 5724434 UXEMDRGJUZLAPP-NKHGNWECSA-N 481.555 3.821 10 40 JHCB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n1 8826374 APYKENYOGHMZGO-UHFFFAOYSA-N 465.469 3.638 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)c(Cl)c1 10113182 YLYCDUAOJABQDW-UHFFFAOYSA-N 453.967 3.552 10 40 JHCB C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)O 12381041 TXZVJSOGFGMSTM-PEHNMLCRSA-N 465.314 3.677 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1-c1ccccc1F 12642553 IGKDKUAYCJZRCL-UHFFFAOYSA-N 458.511 3.523 10 40 JHCB O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96115167 YYTPPRPZIOXMJZ-CQSZACIVSA-N 483.432 3.859 10 40 JHCB biogenic CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 408802548 YQVSKJYXJLBQCA-GZTJUZNOSA-N 486.908 3.981 10 40 JHCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408952653 OOOQNUMLTQHIRU-QNKXHIPISA-N 472.881 3.921 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 408962732 UBDVRMSTUFEAGE-LDADJPATSA-N 480.274 3.604 10 40 JHCB CCCCOC(=O)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 1781826 ZVBXMGQUVZOLQQ-NXVVXOECSA-N 483.409 3.730 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccc(F)cc4)n3)CC2)cc1 11796753 CVIHGBWCWPKOQZ-UHFFFAOYSA-N 468.554 3.825 10 40 JHCB Cc1cc(C(=O)[C@@H](C)Oc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 12589091 ZIXRWIPMPMHHGP-CQSZACIVSA-N 477.926 3.953 10 40 JHCB COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13505322 ASCLXUJDEBWRPK-DEOSSOPVSA-N 476.606 3.712 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 16914672 AGQIZXAGRWADCY-MUUNZHRXSA-N 492.689 3.778 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1Cl 41077946 ISTTTZPMXIPMBO-UHFFFAOYSA-N 465.289 3.599 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccco1)[C@]21SC(=S)N(Cc2ccccc2)C1=O 102768967 KMMWZRLEGSDVLQ-JSRBVGTNSA-N 489.622 3.980 10 40 JHCB COc1ccccc1NC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O 104123690 HNKATEPUHNCQEQ-IUBFCHALSA-N 473.536 3.633 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223689898 JEKQHLIMTXUOOI-PKTZIBPZSA-N 450.564 3.730 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 408585208 XRAGBHKCQVOQHC-BOPFTXTBSA-N 472.291 3.819 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc(F)c1 409190659 UTFLUBKRFRLJJK-RGVLZGJSSA-N 463.490 3.763 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1 409253871 VSAQYUJQUIEYKE-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 10232869 GKVKYUKBPLIPKH-JMIUGGIZSA-N 469.563 3.876 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Br)c1O 59135705 CQKPYCFIVJMFBR-UXBLZVDNSA-N 451.273 3.974 10 40 JHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Cl)cc1 409115188 KVGZSJQPSRBPKK-UYRXBGFRSA-N 457.939 3.852 10 40 JHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCCC3)ccc21 8964199 RIALYYBXAVEWNG-OAQYLSRUSA-N 460.500 3.590 10 40 JHCB COc1cc2c(cc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)oc1ccccc12 11619223 BYWDZAYZEDUIRG-UHFFFAOYSA-N 453.520 3.896 10 40 JHCB CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H]2CCS(=O)(=O)C2)cc1 11914673 YTSBJAWZBSKVHK-FQEVSTJZSA-N 473.982 3.891 10 40 JHCB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734733 VRYQZAQQGKCPDL-AREMUKBSSA-N 450.627 3.575 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 408763927 GLVHTBFZZLANSG-YVLHZVERSA-N 495.376 3.632 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 409061893 JRMGBTLUHASPGN-UHFFFAOYSA-N 493.629 3.543 10 40 JHCB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007973 FHBXIRBQYNHDDQ-QFIPXVFZSA-N 452.624 3.683 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=N)N21 20207200 JAVVMFBOJCYLRC-XCGHDDSDSA-N 462.940 4.000 10 40 JHCB CC(=O)Nc1cccc(N/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)c1 101128539 VLLRRDWGXPYGJE-WOJGMQOQSA-N 460.275 3.968 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101481772 FUSHGSHDLUSJRB-BHDDXSALSA-N 455.441 3.829 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408811817 OIKXIDCSNXYFHW-CIAFOILYSA-N 488.412 3.748 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)cc1 409338940 QXFKMUOUQQCUCN-OQLLNIDSSA-N 495.376 3.718 10 40 JHCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(I)c1 910389 UNSNJYNPHNWOBU-NTEUORMPSA-N 469.076 3.515 10 40 JHCB Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463388 MNPJPXPWBNHIOM-UHFFFAOYSA-N 497.627 3.974 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408876346 KYUSILPNMPCXKF-CXUHLZMHSA-N 476.270 3.583 10 40 JHCB COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 408982307 DDMPHXPIWUISQJ-XGICHPGQSA-N 494.685 3.994 10 40 JHCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c3ccccc32)o1 409389875 CRQFEKQIRMOAAO-FYJGNVAPSA-N 499.479 3.744 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)S1 9763328 YKJYPQOBTNNHLM-RQZCQDPDSA-N 475.320 3.833 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 9846627 JLKQLEANTAKRDW-UYRXBGFRSA-N 467.518 3.636 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 20287441 GHZJSNUUMRWICY-BKUYFWCQSA-N 496.545 3.974 10 40 JHCB COc1ccc(N2CCN(C(=O)C3CCN(c4cc(Oc5ccccc5)ncn4)CC3)CC2)cc1 33311916 NOEHVELWQZWNME-UHFFFAOYSA-N 473.577 3.843 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1 41084314 AKAANHXBKZHWTI-LCQIMXFNSA-N 461.547 3.947 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 408775999 MCFJXTFYVYNBTK-JYRVWZFOSA-N 451.729 3.942 10 40 JHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408776592 WPSKJBJFVHTJPE-AUAXKSBWSA-N 490.556 3.546 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2070346 NKAUIIBOXDOGLC-FBHQFGEZSA-N 482.005 3.518 10 40 JHCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)CC1 13388301 QXXPDAIYVYMURE-LDADJPATSA-N 460.353 3.844 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13674113 MQMVCQZRJXGFHL-AREMUKBSSA-N 491.613 3.950 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)N=C2C)c(Cl)cc1OCC(=O)O 13915176 WGOVYIAVZCTAIL-MFOYZWKCSA-N 472.881 3.795 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(C)=O 16576066 CXTOIVUJZDBVSP-SPVSZRNNSA-N 466.534 3.687 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](CO)Cc4ccccc4)c4ccccc34)[C@H]21 1616044647 NDULOCISFNDHMT-LGGPFLRQSA-N 494.595 3.508 10 40 JHCB CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)s1 1767892 IPYLCLWQOPBOGD-GDNBJRDFSA-N 476.605 3.839 10 40 JHCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 2195832 NXMWDIAMHSUDBC-WIZMWCRPSA-N 460.625 3.841 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3c(-c4ccccc4)nc4sccn34)C(=N)N21 6079852 GRKYRTJHFOPTPQ-NONNEFQTSA-N 498.615 3.710 10 40 JHCB CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(OCC)c3O)CC2)CC1 9246836 PQHCRQLIQDNMDF-UHFFFAOYSA-N 467.610 3.750 10 40 JHCB C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1CCc2ccccc21 9834414 NUZXRULKFVMUJH-AWEZNQCLSA-N 470.437 3.505 10 40 JHCB COc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O 103020018 WATPMXFGEZTSNF-UOKFIYJESA-N 495.582 3.557 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223655082 NZTGAHOFGKCORQ-PKTZIBPZSA-N 478.574 3.723 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O 408742181 PZTXUIKPLBKYEL-XGICHPGQSA-N 482.699 3.548 10 40 JHCB COc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 409371488 WTNFATXXMDKREO-XSFVSMFZSA-N 489.459 3.518 10 40 JHCB CO[C@]12C[C@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 1068640 YSEXMKHXIOCEJA-HXKVFGNASA-N 484.394 3.911 10 40 JHCB biogenic,in-vitro CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)cc1 13504801 UBBMZHPQDUBXOO-SANMLTNESA-N 489.574 3.977 10 40 JHCB CCn1c(CN2CCOCC2)nnc1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 15019294 SYXNNTSPYCWDHY-UHFFFAOYSA-N 457.575 3.652 10 40 JHCB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)C1 28812289 HOMQMCGLNVZNNU-OAQYLSRUSA-N 473.573 3.869 10 40 JHCB CCOC(=O)c1ccc(OCc2noc3c(CN4CCC[C@H](C(=O)O)C4)c(O)ccc23)cc1 94993351 KTDNFPMWXMQFMA-INIZCTEOSA-N 454.479 3.586 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622641 PZXCZWCZCUNNPK-XZOQPEGZSA-N 481.578 3.761 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 225648545 RPNPMQJQHKVTIN-UHFFFAOYSA-N 458.411 3.922 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 408528740 BTONKFOBMLEOMG-XSFVSMFZSA-N 472.453 3.589 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)NCCOC)c12 409148768 RLNUTEVSTKWHFF-ODLFYWEKSA-N 459.637 3.824 10 40 JHCB CN(C)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9457006 LZUWCOVXTHCZCP-ZIFCJYIRSA-N 459.439 3.860 10 40 JHCB CO[C@]12C[C@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13 90506349 YSEXMKHXIOCEJA-WIRXAFICSA-N 484.394 3.911 10 40 JHCB in-vitro Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 101101997 YJZXZFLLIGBEGX-YTFSRNRJSA-N 451.478 3.686 10 40 JHCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccccc1C 104124204 WITQEAPGFUVEIQ-RGCCPRADSA-N 451.508 3.871 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223290979 FFLRCYAIHCCGLW-BJKOFHAPSA-N 477.634 3.810 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C(=O)NC2=S)cc1 409101407 YCPRFOBACYXFHO-CPNJWEJPSA-N 465.575 3.698 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 41084736 ALLWOURTLHPNSK-YTERJXCHSA-N 489.557 3.977 10 40 JHCB COC(=O)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 48990191 YONUEBRLRGUBFQ-UHFFFAOYSA-N 460.939 3.906 10 40 JHCB C=CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 108920406 DFLMDVVPCIVEAB-WJDWOHSUSA-N 490.297 3.716 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 408953033 NZTCXAXBDRXRFS-CJLVFECKSA-N 460.559 3.773 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409204112 BIFMOQSRRHFMKU-SRZZPIQSSA-N 477.452 3.673 10 40 JHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409382264 MIWPGNMOGJKZSL-GRSHGNNSSA-N 451.475 3.792 10 40 JHCB O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4ccccc4)S3)CC2)S/C1=C\c1ccccc1 941222 CKLVTQYQUQHUQU-VBGLAJCLSA-N 460.584 3.945 10 40 JHCB Cc1c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2363473 XBWQFKZLHAGCDL-ATVHPVEESA-N 452.517 3.798 10 40 JHCB CC(C)C1=NN2C(=N)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C(=O)N=C2S1 9679071 SVNVLQCVQFUGAP-ISFDWQSPSA-N 454.533 3.729 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Br)c1OCC(=O)O 13915095 CAGIFAHCTFIBHX-CHHVJCJISA-N 490.266 3.635 10 40 JHCB CCCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 20391823 QFPGCLPDMCQDAM-UHFFFAOYSA-N 453.491 3.998 10 40 JHCB biogenic CCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26688427 HIHHQDKHAWBOLQ-LLAMLJDKSA-N 472.636 3.618 10 40 JHCB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 32124824 OXYGBNNNWCSOFN-MHWRWJLKSA-N 463.518 3.993 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cn4c5c(cc(Br)cc5c3=O)C[C@@H]4C)CC2)cc1 33089234 GQXIMDFTTNTLFC-HNNXBMFYSA-N 482.378 3.852 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1 35128489 DRTDSGDMGCGMPV-AQTBWJFISA-N 463.833 3.929 10 40 JHCB COc1ccc(-c2coc3c(CN4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)c(O)ccc3c2=O)cc1 100655788 WKQHKMRCOFAVLC-IEBWSBKVSA-N 470.525 3.955 10 40 JHCB CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100692322 UMLULVIXRRRYMS-VJBWXMMDSA-N 467.477 3.780 10 40 JHCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@@H]6[C@H]34)C[C@H]2C)cc1 100776559 HORBAYPOSKXLJO-IPAVBZGYSA-N 454.611 3.731 10 40 JHCB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 260743603 MVLOEVOFDGYRHD-OAQYLSRUSA-N 457.640 3.870 10 40 JHCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13343688 LXEJBEOUHDTOJY-WQRHYEAKSA-N 451.529 3.834 10 40 JHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622224 UIRODVWLBVZMKJ-XZOQPEGZSA-N 464.591 3.851 10 40 JHCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 408903356 RLIBVQPLLNOYIJ-XSFVSMFZSA-N 459.433 3.510 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1O 408916982 JYZBMXUNMYMCTO-QPEQYQDCSA-N 465.300 3.524 10 40 JHCB CCc1ccc(N2C(=O)/C(=C\c3cc4c(cc3Br)OCO4)C(=O)NC2=S)cc1 409377329 GKQRBHAULXZARY-AUWJEWJLSA-N 459.321 3.572 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2344456 IBPCHNRPCTYOCO-LGMDPLHJSA-N 470.576 3.527 10 40 JHCB COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504965 XNKHLLOPILJOAS-SANMLTNESA-N 488.567 3.789 10 40 JHCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C2=O)o1 33376270 LHLCHOWVGBTMDR-RGVLZGJSSA-N 472.519 3.920 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)c1 41085305 YAKMPESRWROVJE-JQJCZHNNSA-N 499.618 3.750 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773245 HNPCLSUVYDOQQC-FVIVVMBBSA-N 493.604 3.784 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc(C)c1 408867975 KWJYTWZKSRFCFL-UHFFFAOYSA-N 475.364 3.650 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59139763 GQQKVTOCSWZMST-UHFFFAOYSA-N 489.937 3.825 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)c(O)c1 1778108 DPQVFGKVTKCUBF-SXGWCWSVSA-N 462.936 3.974 10 40 JHCB COc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)C[C@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O 12416708 WATPMXFGEZTSNF-CQLNOVPUSA-N 495.582 3.557 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 8709228 VMGFBDOSQFRBCW-NRFANRHFSA-N 499.612 3.815 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 9296731 XEZIUTUOOZCCSN-GIJQJNRQSA-N 453.501 3.884 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 12552592 FZBCPONMRYYDMR-FQEVSTJZSA-N 483.613 3.987 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621614 RCZMSBILVKHIPW-PKTZIBPZSA-N 481.578 3.761 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNc2ccccc2Cl)C1=O 408533970 PQVLWOCFTIMUCC-JLHYYAGUSA-N 463.719 3.748 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 409024820 XFTXLCSXSUPVRL-WSDLNYQXSA-N 473.489 3.842 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCC(=O)O)C1=O 409057708 QJLXZSNAECVNHN-MDWZMJQESA-N 493.697 3.541 10 40 JHCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(I)cc1 2322296 HALDUIJZFSOKLA-AWEZNQCLSA-N 452.273 3.888 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 9310575 YXFANLGOYXXKBK-YBFXNURJSA-N 486.571 3.697 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)CC2)cc1 13680260 TZHQZZCKOWNEMA-UHFFFAOYSA-N 465.575 3.767 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)N=C2O)cc1 20025182 KJRLODIKLNROKQ-MTJSOVHGSA-N 487.468 3.670 10 40 JHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 33931781 XHOQLMWIDZQDGX-MRXNPFEDSA-N 468.529 3.642 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1 41083979 RHLAJBNHRIRBQR-WPTKKBASSA-N 498.586 3.676 10 40 JHCB CCCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C(C)=CSC5=NC4=O)cc3)nc2s1 49690419 JTTISNKAULYSQZ-ALRRYEELSA-N 492.586 3.849 10 40 JHCB O=C(O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59136444 GUNNJNPQTNQQHY-XYOKQWHBSA-N 479.283 3.723 10 40 JHCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223191820 IKNMNLHPCPBYSZ-FTJBHMTQSA-N 490.677 3.887 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621692 RCZMSBILVKHIPW-GOTSBHOMSA-N 481.578 3.761 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 408762575 PKURIBKDRHBTFS-JCMHNJIXSA-N 488.521 3.754 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 1093859 ASOOPYKACXHFKT-ZROIWOOFSA-N 464.322 3.904 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 1196520 SVEATWNHZWRQMG-QPEQYQDCSA-N 481.755 3.951 10 40 JHCB O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2326701 MEIAFJROIQDTIS-MNDPQUGUSA-N 494.667 3.692 10 40 JHCB N=C1/C(=C\c2c(-c3ccc(Cl)cc3)nc3sccn23)C(=O)N=C2SC(N3CCOCC3)=NN12 9124649 MAKDEOCNSHYYAX-KLXCTLKCSA-N 497.993 3.625 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 13646607 TZMNGVBHROEGKR-UHFFFAOYSA-N 492.041 3.671 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 14273725 CVHVTINDHGEULN-UHFFFAOYSA-N 490.585 3.959 10 40 JHCB CN1C[C@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 102773353 WNNPRGGVTYMKOL-UKDVSSAZSA-N 475.595 3.956 10 40 JHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 136132550 BJJVWVVNARMKBX-RJGXRXQPSA-N 458.474 3.712 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC(C)C 408902582 KLURMCRLTXCKCE-LFIBNONCSA-N 459.296 3.911 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)O 409020770 TTWBNVLREUFRFE-ZDIKFAODSA-N 479.272 3.520 10 40 JHCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)SC1=S 409134912 OPASJXRXMJNNMF-NAGKPISUSA-N 457.621 3.794 10 40 JHCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409189199 FKONJHBPTMQGER-WOJGMQOQSA-N 477.454 3.693 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 409247546 IEHUGNWNGNRNMR-XKZIYDEJSA-N 481.574 3.824 10 40 JHCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2331581 CJBMPSGDERAYDO-MNDPQUGUSA-N 485.679 3.536 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 16134553 HUIYPKBGDUNTDG-UHFFFAOYSA-N 483.568 3.634 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3F)c3sc4nc(C)nn4c3O)CC2)cc1 22627294 LSYBHINBMSWBEH-FQEVSTJZSA-N 453.543 3.864 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC3CCCC3)nc12 27021129 MJNZTQBZEPXGNV-UWCCDQBKSA-N 470.620 3.738 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 41084398 IWPQSQXLNQABCG-FIUAZEGQSA-N 468.970 3.656 10 40 JHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 408805565 GSYRLAWBMYHHMG-MHWRWJLKSA-N 472.881 3.590 10 40 JHCB O=C(NN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S)c1cccs1 409339820 YZJDKQVELIBAKQ-WJDWOHSUSA-N 456.530 3.993 10 40 JHCB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccc(F)cc3)=NC2=O)c2cc(Br)ccc21 8765999 COGBPKGSUIAAFS-NXVVXOECSA-N 460.284 3.934 10 40 JHCB COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 8871599 DDCRMSBLLQWZOP-XDHOZWIPSA-N 488.587 3.951 10 40 JHCB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 9414494 IDKROJBBNVBPHR-UHFFFAOYSA-N 476.552 3.985 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 16195086 YURSPMNZEXPYQI-XGICHPGQSA-N 462.212 3.578 10 40 JHCB Cc1c(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 17147050 WRHQXZLPICRBEK-SFQUDFHCSA-N 485.422 3.922 10 40 JHCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 408773646 SMDITPHRVQUHAL-AWNIVKPZSA-N 483.691 3.865 10 40 JHCB CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 408806848 BJLCOJVBTIIICM-FYJGNVAPSA-N 475.570 3.961 10 40 JHCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 13591009 PPOVSVDUVDDZOP-INZJWMLVSA-N 494.620 3.940 10 40 JHCB CCCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 19924475 UIBUWSHSNNMVSZ-UHFFFAOYSA-N 466.534 3.914 10 40 JHCB biogenic CN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=S 59140064 UUGWTYKOJGETGD-UHFFFAOYSA-N 490.335 3.535 10 40 JHCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 408983907 OEZLOIJRDVBLSJ-ZDLGFXPLSA-N 465.893 3.833 10 40 JHCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409070877 PFVWFMCLOLBHRZ-UUILKARUSA-N 469.664 3.777 10 40 JHCB CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)N(CC)C1=S 409370437 QVGMYMNTFIFDBF-UHFFFAOYSA-N 489.956 3.876 10 40 JHCB N=C1/C(=C\c2cc(Br)ccc2O)C(=O)N=C2SC(COc3ccccc3)=NN12 27838109 FRDJPAKMJFMGRJ-OVDNTTTISA-N 457.309 3.853 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCc3ccccc3C2)cc1 36683827 GGCMBHFGCQZDPB-RUZDIDTESA-N 487.560 3.515 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc(I)c1O 16688271 CQZJGEKVVZJVDT-QPEQYQDCSA-N 484.677 3.510 10 40 JHCB CC(C)[C@@]1(C)CC[C@H](C(=O)Nc2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 16739498 YPYKPUFUQFVHBP-ZGZGDJBTSA-N 494.588 3.739 10 40 JHCB COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 16914152 CXEQMKZHDBZWRC-NDEPHWFRSA-N 472.633 3.983 10 40 JHCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 18098755 OXZGSFKSBBACKX-HKBOAZHASA-N 459.404 3.660 10 40 JHCB COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1 19553503 BGOSATMJICJGCY-AREMUKBSSA-N 488.567 3.789 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408804649 ZGDJUOUQJBGBIT-UDWIEESQSA-N 488.412 3.748 10 40 JHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1 9260241 JJORFEYUKRBQQL-VZUCSPMQSA-N 455.692 3.779 10 40 JHCB O=C(COC(=O)Cn1cnc2ccccc21)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9403263 YGMIXZNMRQVZOE-UHFFFAOYSA-N 473.872 3.647 10 40 JHCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 13563132 MTEJXWKJUCFYOK-ZPHPHTNESA-N 485.679 3.618 10 40 JHCB C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1c2ccccc2C[C@H]1C 14017213 QLRIXTNVIRTBRM-CABCVRRESA-N 484.464 3.893 10 40 JHCB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19820734 XWFOHOLBMNDABE-ZEQRLZLVSA-N 471.513 3.806 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 41084027 RBFJDIFSSQSBNG-MVGHURLUSA-N 498.586 3.847 10 40 JHCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)C[C@H]2C)cc1 61999407 QNAQXRSCTQFKEU-IMFPBUQOSA-N 454.611 3.733 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409024108 VVMIBROIZADTQI-RGVLZGJSSA-N 463.490 3.763 10 40 JHCB O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2396773 RQMOQQNXOQFKBS-HZQOKBKYSA-N 492.626 3.984 10 40 JHCB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 13759475 HYQOSKUCZBWOQQ-ATVHPVEESA-N 481.555 3.780 10 40 JHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(Cl)cc1 34807614 AZLGXYQTJQBWNO-XSFVSMFZSA-N 477.904 3.828 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447101 YBQMJYVMLMOBLL-LXGKNYBDSA-N 473.598 3.529 10 40 JHCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408535656 UDFSBKQXBAYTRI-WJDWOHSUSA-N 454.328 3.666 10 40 JHCB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 408733722 OZOXDXXABGVRCM-RJGXRXQPSA-N 451.478 3.686 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)cc1OC 409234052 YGHIRRCKWCAMCA-NTEUORMPSA-N 475.364 3.996 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)cc1 409348562 ORIMBZLSBSSUNW-OQLLNIDSSA-N 465.350 3.710 10 40 JHCB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1C 13525293 OGRZQOVPEDGYTI-UHFFFAOYSA-N 466.490 3.984 10 40 JHCB COc1ccc(/C=C2\C(=O)N(C(C)(C)C)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 17027914 LKVHREGGTWHGSE-PDGQHHTCSA-N 461.474 3.592 10 40 JHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18205615 CDYCBOBSXDNMEZ-ZRBLBEILSA-N 458.474 3.712 10 40 JHCB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 19296504 WRGJSANCRJNQCP-UHFFFAOYSA-N 467.494 3.804 10 40 JHCB Cc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc2)c1C 19419323 HSHSRLABMKDRNW-UHFFFAOYSA-N 492.362 3.905 10 40 JHCB CC(C)[C@@]1(C)CC[C@H](C(=O)Nc2ccc(NC(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 35982077 YPYKPUFUQFVHBP-LNOBBLLVSA-N 494.588 3.739 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)O)cc4)c3)C2=O)cc1 409067565 FIGCCZGPFOHKJV-HMAPJEAMSA-N 472.453 3.639 10 40 JHCB O=C(/C=C/c1ccccc1)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 409408268 JWKYYVIVCNXWMQ-WOIMTHDUSA-N 455.426 3.675 10 40 JHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 10232790 PMVWQSDURRWRQX-JVXNRYDGSA-N 482.879 3.637 10 40 JHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 15013373 UMENBRUNXFZFRX-YBEGLDIGSA-N 458.287 3.855 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1cccc(F)c1 35103598 DXSOZZAZFRLDTA-XKZIYDEJSA-N 454.461 3.881 10 40 JHCB CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1 41076653 DCBXWIHEXBGZEL-XGMUFTHNSA-N 472.573 3.535 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 6904380 CWEISYYZUFUTSX-RGEXLXHISA-N 496.614 3.553 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3C)C2=O)c1 8815787 QVJPBNYOHAIKAX-KGENOOAVSA-N 451.548 3.815 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 13787034 YRINGJQSEPUBLP-JZSRTLTASA-N 483.509 3.977 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)cc1 95925749 CQHAYOHZAPNESP-FYJGNVAPSA-N 489.553 3.941 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC(C)C 408947918 DPAJWNFYUISYGL-MKMNVTDBSA-N 458.854 3.531 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccccc1Cl 409262382 HFPYNNQRWOSYSV-UYRXBGFRSA-N 491.887 3.730 10 40 JHCB CCOC(=O)c1c(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)sc2c1CCCC2 805212 TYSIHVAGESVBKJ-VBKFSLOCSA-N 453.520 3.691 10 40 JHCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1N1CCOCC1 1346225 HLEYWBFGNBEASI-UHFFFAOYSA-N 463.519 3.959 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2374003 FFOALXMQEAQQJL-JJLAUHSJSA-N 486.663 3.805 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1 2987749 FXQRKWWWEMSNLE-GDNBJRDFSA-N 461.590 3.858 10 40 JHCB Cc1cc(C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 36445133 QWIZFGUZMFBOBX-UHFFFAOYSA-N 490.969 3.618 10 40 JHCB Cc1cc(C(=O)CN2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccc2c(c1)OCO2 36450910 DVWOOJHAYSTJHP-UHFFFAOYSA-N 451.548 3.525 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N(c2ccccc2)C1=O 409010765 LBPMHKIBKUXQQP-HKWRFOASSA-N 460.442 3.670 10 40 JHCB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC 409211046 MAGIVBUHIYCEBM-WOJGMQOQSA-N 474.516 3.951 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 3097676 PZZOQUVGDLTMDU-VCHYOVAHSA-N 474.516 3.858 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O 15227501 MDVNLRHADNBHJF-ZROIWOOFSA-N 459.296 3.695 10 40 JHCB COc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O 33345496 FAIHNCKZFPYEAA-NTEUORMPSA-N 452.102 3.682 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 39224240 XDOGNEFRKXUTAE-AWEZNQCLSA-N 473.323 3.994 10 40 JHCB CCOc1ccc(NC(=O)[C@H](/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(C)=O)cc1 104124035 MWLJVYLTEHAIQB-BDCRVHBXSA-N 481.534 3.961 10 40 JHCB COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 107914374 ISONYSUSPVJLEU-ZEVOCZHWSA-N 479.714 3.504 10 40 JHCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br 408722288 GPPLZBSEMPNDBN-RIYZIHGNSA-N 464.772 4.000 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1OC 409231914 FYEAALVGJTVPAP-OQLLNIDSSA-N 475.364 3.914 10 40 JHCB CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccccc1C 682024 MRVHCQRQUJDMHM-UHFFFAOYSA-N 495.601 3.790 10 40 JHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COc3ccc(-c4nnco4)cc3)c2C)c1 9442301 KBPYKLVSUYEWDP-UHFFFAOYSA-N 489.484 3.979 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 9672206 PZZGWNPGIUEEQG-UHFFFAOYSA-N 478.574 3.964 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504122 ANABADISGYZGGP-XMMPIXPASA-N 463.630 3.804 10 40 JHCB CCOc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OCC)c1OCC 23080555 ZXPKHHUJCCOTKN-XMMPIXPASA-N 498.668 3.667 10 40 JHCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4cc(NC(=O)C(C)C)ccc34)CC2)cc1 36358678 PLDNVJKUWIIVKQ-HSZRJFAPSA-N 450.539 3.719 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1O 408854040 WCIQPGWGSQSYAG-UXBLZVDNSA-N 453.303 3.548 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408892581 INPPODRDHSDHPK-PDGQHHTCSA-N 482.489 3.536 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409019860 ZBOMELQAFPVITF-LDADJPATSA-N 468.332 3.777 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1F 409378976 TVBPYGWMJBYPOV-RGEXLXHISA-N 475.501 3.675 10 40 JHCB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1=O 3457708 AKBUTGKLRCLSKS-HHHXNRCGSA-N 473.529 3.905 10 40 JHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCCC3)ccc21 8964200 RIALYYBXAVEWNG-NRFANRHFSA-N 460.500 3.590 10 40 JHCB CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13 9212372 YSEXMKHXIOCEJA-SJODRWRQSA-N 484.394 3.911 10 40 JHCB biogenic,in-vitro CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc2c(c1)OCO2)C3 9344661 WRQVDCNOXYUFFL-UHFFFAOYSA-N 451.475 3.991 10 40 JHCB Cc1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383430 PXDSQWKVWSLUMU-UHFFFAOYSA-N 476.554 3.810 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 22008627 XFYVKFPQDNBZRA-QHCPKHFHSA-N 459.587 3.628 10 40 JHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 260762332 HUQNXJAQTLQSLJ-OALUTQOASA-N 459.612 3.575 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)NC2=S)cc1 408755424 NNLCKNQUXYFGFH-QNGOZBTKSA-N 458.495 3.746 10 40 JHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC 408802875 IQGVUHHMYDNRRI-GZTJUZNOSA-N 486.908 3.981 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408880478 JGCAZRMDRYUYGY-OVCLIPMQSA-N 482.661 3.620 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408883331 QRGOVWCOOPGNFP-VIZOYTHASA-N 482.661 3.620 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1I 409131884 YWMUXAXEAWJTCF-NTEUORMPSA-N 492.338 3.748 10 40 JHCB CC(C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 1449940 KNIMDAQOTCVYIZ-SILNSSARSA-N 491.642 3.631 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 9310354 AWBASLJLBZRVGM-KGENOOAVSA-N 458.470 3.949 10 40 JHCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 112294789 UNXIGHMMWGYRSC-NDENLUEZSA-N 454.439 3.507 10 40 JHCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2 409107810 QVVGQGBBIXGZKT-WCIBSUBMSA-N 451.287 3.562 10 40 JHCB C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1282011 ZDMYNNPYCMANND-WHBPPDGWSA-N 458.948 3.931 10 40 JHCB O=C1NC(=O)C(=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)C(=O)N1 8861531 FXGWGELIKFGQPY-UHFFFAOYSA-N 465.259 3.571 10 40 JHCB CCC(=O)NCCc1c(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[nH]c2ccccc12 9215566 BYJZGBLNIFBACJ-DTQAZKPQSA-N 464.909 3.556 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(Br)c1O 59104074 GUVHITIWPOABJJ-LFYBBSHMSA-N 475.251 3.789 10 40 JHCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414109 OXWAYTVUQVHMGL-VABKMULXSA-N 451.478 3.999 10 40 JHCB C[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 260763826 GYJWRTSLACRBSV-HSALFYBXSA-N 473.639 3.963 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(OC)c1 408740383 FYOZDZFARJGXHY-WOJGMQOQSA-N 472.339 3.970 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Br)c(Cl)c1 408888110 WWNSADAIUBPCMS-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 15231338 RSWKTEOUJSUCCJ-LICLKQGHSA-N 469.375 3.891 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 16194195 FBYNULQGFAMIGC-STZFKDTASA-N 474.444 3.858 10 40 JHCB CN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N(C)C1=S 59139362 QIBIRQFUFQLFAV-UHFFFAOYSA-N 463.328 3.766 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223673851 URBBLNVQKCFYEW-BJKOFHAPSA-N 492.601 3.811 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 408534485 MDDLDQYKPBGBPM-UNOMPAQXSA-N 470.437 3.609 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409075365 XMPQHHUQVIIKPA-BKUYFWCQSA-N 460.417 3.769 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S)c1ccccc1 409178946 KZAXMIAPDCAFJZ-UVTDQMKNSA-N 466.325 3.837 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2454610 YKSOMSORKZZXOE-SXGWCWSVSA-N 462.936 3.974 10 40 JHCB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 9582885 ZSTCZFCBFGZJLB-UUYOSTAYSA-N 485.500 3.542 10 40 JHCB CC(=O)Nc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 41107963 YYVHZZVNUYVPDQ-VAPLQANRSA-N 463.519 3.742 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 223336810 OHZFTNVCSXNZGK-UHFFFAOYSA-N 496.589 3.953 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408807520 CYKORMCTLBTVIY-LDADJPATSA-N 456.882 3.970 10 40 JHCB CCOCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 13645317 FFOALXMQEAQQJL-XGSMPBFLSA-N 486.663 3.805 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223034126 ACNOCNKAIMLUSV-GOTSBHOMSA-N 464.591 3.895 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 408552371 SFJUOZIIGOCTBF-KGENOOAVSA-N 481.574 3.930 10 40 JHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408783620 PGSKKLLIYBBZLG-IWIPYMOSSA-N 489.572 3.782 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408908394 CFATXVIVGMIOIE-RGVLZGJSSA-N 491.431 3.988 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 8495668 JNZLYNJERFNFMF-GQZSXMDHSA-N 464.503 3.952 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1 8819526 FGTPKVPOECTNNH-PDGQHHTCSA-N 456.545 3.799 10 40 JHCB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3 9429722 NTOYHLJDGUHULI-DEOSSOPVSA-N 475.545 3.534 10 40 JHCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1 18143838 SDJUDUGVJCRDCE-FSSWDIPSSA-N 455.441 3.516 10 40 JHCB CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 35144809 NWNMOFGHLDJRON-ATTDUZETSA-N 492.313 3.939 10 40 JHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N(C)C1=S 59140057 MJQUQESYHOQTBB-UHFFFAOYSA-N 463.328 3.766 10 40 JHCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408528106 CMCMAEAVVWODBG-OCKHKDLRSA-N 473.938 3.781 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O 408984669 JLXURIPENGWUEM-DHDCSXOGSA-N 459.296 3.782 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)N(CC(=O)OC)C2=S)cc1 409127016 PXYHYRXVLIZWPY-BKUYFWCQSA-N 453.564 3.986 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 10961842 JPIOIFOKNTVFEK-UHFFFAOYSA-N 450.004 3.853 10 40 JHCB COC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 12136836 ZPQWBQFZQSHVRP-RGEXLXHISA-N 453.520 3.604 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc(OC)c1OC 13400168 OJKFQJFOXPXHEU-PDGQHHTCSA-N 474.560 3.648 10 40 JHCB CCN(CC)c1ccc([C@@H]2N(C(=O)C(F)(F)F)CCN2S(=O)(=O)c2ccccc2)cc1 20070090 GSQHYTFURGEJGT-LJQANCHMSA-N 455.502 3.627 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223291173 NPWHXZVWBBNVQZ-RPWUZVMVSA-N 477.634 3.810 10 40 JHCB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409210786 GSPNXVZRZGSXTA-CAOOACKPSA-N 473.459 3.579 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c([N+](=O)[O-])c1 1137552 AWYVXAUXMDPDFU-BOPFTXTBSA-N 494.504 3.981 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5ccccc5)nn4)C3)CC2)cc1 22480850 SQYPCRPNBDSVRJ-JOCHJYFZSA-N 457.578 3.717 10 40 JHCB CCCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 408529148 ILCNAJHHLLTDLV-HMMYKYKNSA-N 451.479 3.621 10 40 JHCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC 8690276 DWQNLWBDTQILKE-UHFFFAOYSA-N 457.552 3.953 10 40 JHCB COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504946 IMXBEPXBTAYAFK-HHHXNRCGSA-N 484.604 3.959 10 40 JHCB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13670019 BEDSHDDBZYNRCU-UHFFFAOYSA-N 497.592 3.559 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C(C(=O)OC)=C2C)cc1 14414561 OGSNFHLIVBFDRB-RGEXLXHISA-N 453.491 3.988 10 40 JHCB CCOc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)c([N+](=O)[O-])c1 41076794 BENYWWKDKWYHKL-LICLKQGHSA-N 451.391 3.509 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 206913768 OBVHIGYBAVTFDK-RIYZIHGNSA-N 465.896 3.509 10 40 JHCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409143232 ZVAABLHNJODUGC-MOSHPQCFSA-N 455.511 3.646 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3OC)C(=O)NC2=S)c1 852819 QCLGRMNMIQAMHR-MOSHPQCFSA-N 453.564 3.771 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1 13549325 HAEGUWWSAALBBL-MTJSOVHGSA-N 476.514 3.842 10 40 JHCB COc1cc([C@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc(OC)c1OC 20650599 GCOVQPILSGBZPY-XMMPIXPASA-N 452.551 3.917 10 40 JHCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(C(C)C)cc4)ccc3=O)CC2)cc1 41253380 MRDOYFRIYAIXSA-UHFFFAOYSA-N 460.578 3.781 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409067596 FWJWHXXTCBSDPW-MOSHPQCFSA-N 482.901 3.774 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 35074414 IKJZOSHZSFGXNE-FPEMQRHVSA-N 498.674 3.865 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 41083927 BBDHMAVCIXXFEO-MKGVMWAWSA-N 460.562 3.751 10 40 JHCB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408755322 DPDQUVGSLWIDKK-ODLFYWEKSA-N 465.853 3.717 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OCC)c3)SC2=S)cc1 409209303 FKQDUYGZCPCDAE-UNOMPAQXSA-N 458.561 3.754 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1 409270203 DBYWMOPACPRWQQ-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB COc1c2c(c(Cn3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)c3c1OCO3)CCN(C)C2 604405337 ZJFCBYFHBZNQBM-UHFFFAOYSA-N 480.520 3.986 10 40 JHCB biogenic CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 9846613 NPOMCJXTYQWGBB-HAHDFKILSA-N 478.545 3.866 10 40 JHCB COc1ccc(N2CCN([C@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1 19940562 ZOZWVFYCZJHYHW-AREMUKBSSA-N 499.619 3.858 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1 20206437 VNANWLHMYPNZBD-OOEDSJJISA-N 469.592 3.839 10 40 JHCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C 21786410 LNBSIFOYRQHNEV-JOCHJYFZSA-N 467.591 3.854 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)cc1 408956057 ZUIOPPWOWFMVSU-IZZDOVSWSA-N 470.142 3.944 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(/C=C\c3nc4ccccc4[nH]c3=O)C2=O)cc1OC 5724433 FKFQTEVLSPYHGD-FAWRNAPPSA-N 451.529 3.812 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1 10112155 BMPYZYSDDXWBQT-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 13914521 KYSRULYKQYCWIK-OQLLNIDSSA-N 493.950 3.750 10 40 JHCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cn1 107700197 VPDJEUVCAJIDBB-MOSHPQCFSA-N 472.457 3.981 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408890628 WSWVFMDQQQPZPA-CJLVFECKSA-N 490.537 3.992 10 40 JHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 408960893 PMCUOEIETUPOHY-QJOMJCCJSA-N 492.601 3.798 10 40 JHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Cl 409194128 NDMMJNIPTYMHED-WOJGMQOQSA-N 465.918 3.969 10 40 JHCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 645930 KHIYGTICPRMUHQ-HMAPJEAMSA-N 454.567 3.843 10 40 JHCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 13940773 RRTZKAOCGYQLDC-YIFJCWOOSA-N 466.519 3.801 10 40 JHCB CCN(CC)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1 57531398 DWFUVRJOYMTMCO-BXWFABGCSA-N 457.543 3.863 10 40 JHCB O=C1/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(O)=NC(=S)N1c1ccccc1F 59135866 BRJRBHKDWOFZMQ-WEVVVXLNSA-N 466.244 3.874 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1 223138139 UABQPNIMYSMTFK-RPBOFIJWSA-N 461.635 3.794 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)cc3OC)C2=O)cc1 408741511 QCKYOGXKWVOVHR-OQLLNIDSSA-N 475.295 3.531 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc([N+](=O)[O-])c1O 409146904 VMVWNBNWTRKKQC-OVCLIPMQSA-N 479.923 3.817 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)C2=O)cc1 409266724 RAQQXFONSOYVEL-PXLXIMEGSA-N 485.496 3.688 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1OC 27530659 VBHJEYIXQXPRCL-DEDYPNTBSA-N 454.573 3.884 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(=O)O)c1 223270377 RMVUYLMGHRMRDJ-DHIUTWEWSA-N 463.607 3.721 10 40 JHCB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1C(=O)CCC1=O 224958228 GIIAZAMMLBDBSV-MSOLQXFVSA-N 485.606 3.624 10 40 JHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 408538511 OANRFBFDRXXMME-PTNGSMBKSA-N 468.355 3.975 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 408600287 BCQJHEQCCLVCAY-WJDWOHSUSA-N 495.831 3.961 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OCC)c3)C2=O)cc1 408867732 MRIBJRRIMZRTKD-WOJGMQOQSA-N 487.306 3.691 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 408930915 DSFVKQHWDUSRFE-LDADJPATSA-N 496.342 3.769 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 409193319 IVKQPJBAFNZGRP-LDADJPATSA-N 451.891 3.660 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409223302 YUAGWIWSNPWLEL-OEAKJJBVSA-N 458.518 3.894 10 40 JHCB CCCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 1775616 RXYFZOMWLMTOFX-GYZOOYGHSA-N 455.623 3.653 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 13647344 IKJZOSHZSFGXNE-NCPCUPCVSA-N 498.674 3.865 10 40 JHCB Cc1cccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Br)c1 59139368 RCZDWHNIGNJIJI-UHFFFAOYSA-N 459.365 3.935 10 40 JHCB Nc1cc([N+](=O)[O-])cc2cc(S(=O)(=O)O)c(/N=N/c3cc([N+](=O)[O-])cc(Cl)c3O)c(O)c12 100429968 PDMUIYTZNPZMRN-FMQUCBEESA-N 483.802 3.965 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 408774215 CAIVUQPJWFUHLO-STZFKDTASA-N 451.475 3.514 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3297160 KOYGRCKBRHOICT-DEOSSOPVSA-N 480.586 3.982 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc(OC)c1OC 13606964 HWJLPBJFPGOKAC-IUXPMGMMSA-N 494.978 3.911 10 40 JHCB Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 16734300 ABYUDODOOZQURD-OCKHKDLRSA-N 494.598 3.953 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20485803 UYCUPTCHXOHVJZ-UHFFFAOYSA-N 455.624 3.535 10 40 JHCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084722 FCJUPJFERIGGRH-YXJMJQDWSA-N 459.531 3.968 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 408869208 PPRREKDVEKMEJY-OVCLIPMQSA-N 480.112 3.887 10 40 JHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(I)o1 408964030 BGVOXDRHJSESBU-RMKNXTFCSA-N 476.654 3.508 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1C 409070380 FUUMTEVJNUZLJA-PXLXIMEGSA-N 476.510 3.738 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1F 409373093 QTMWSOUNNXDDSJ-WOJGMQOQSA-N 450.422 3.668 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 9908244 LGOKCPVJFFWIGN-LDADJPATSA-N 496.342 3.769 10 40 JHCB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 13100352 KGYPQICFJWYYES-UHFFFAOYSA-N 475.522 3.734 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 2149646 RGBFNGGMTIQGIF-UHFFFAOYSA-N 481.357 3.683 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)cc1OC 8819981 TUBQKMHLYJXZJT-CYVLTUHYSA-N 466.625 3.570 10 40 JHCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 9327506 QAMNNIUGPGKGJC-GOOXQAOHSA-N 489.641 3.772 10 40 JHCB CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccccc3C)c(O)c12 25693973 MWQZCIAZVZWFDV-DQRAZIAOSA-N 479.492 3.721 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1ccco1 41076297 XGUADWOBHCSJKL-AUHFKFJMSA-N 464.381 3.689 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)N1CCOCC1 409122942 CYKALPSARKYLTK-KQWNVCNZSA-N 491.638 3.944 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)cc1 409200915 KIGARANCMZQFEA-PXLXIMEGSA-N 488.569 3.719 10 40 JHCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(I)o1 409228702 CSNGLMWBJPKAAM-YRNVUSSQSA-N 492.216 3.734 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)cc1 409219020 MIPPGFBESCUNIR-HMAPJEAMSA-N 473.460 3.818 10 40 JHCB CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)cc1 1469697 ZKWWVAXEHDJMAB-UNOMPAQXSA-N 457.577 3.793 10 40 JHCB CCOc1ccc(S(=O)(=O)Nc2ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)cc1 8871929 UEKRIDQPWNLRDS-GOSISDBHSA-N 489.468 3.758 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 12563911 HRDWJBWZSCQGGL-NRFANRHFSA-N 451.596 3.838 10 40 JHCB CN1CCN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)CC1 20605027 HEYHDAJBTOISDS-UHFFFAOYSA-N 452.894 3.673 10 40 JHCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 33720785 VSFFMEYCUABJNR-UYRXBGFRSA-N 460.402 3.543 10 40 JHCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 59678888 YEERQVTTZBTHPA-WWNSAXIVSA-N 465.314 3.677 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223707645 ZCACPYZRLDFJLY-RPWUZVMVSA-N 492.601 3.811 10 40 JHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 408537500 VSNSAJVIQVVMEP-RGEXLXHISA-N 471.425 3.789 10 40 JHCB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)O)n[nH]2)c1 408633157 LVJRHHBWNUFGKY-RGVLZGJSSA-N 468.535 3.543 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C2=O)cc1 408983905 ODPXTHZOPVMHDE-PDGQHHTCSA-N 476.401 3.992 10 40 JHCB Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 9363753 MGEXBBAMAXCEHM-XDJHFCHBSA-N 478.599 3.714 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1C 33581233 QVSLMIGBINXXPK-STZFKDTASA-N 451.548 3.815 10 40 JHCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 103919084 YACFOHYBBQFMJP-UYRXBGFRSA-N 455.565 3.833 10 40 JHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1Cl 408552351 RVBQUWLOKBXZGT-YFHOEESVSA-N 454.266 3.574 10 40 JHCB CCCn1c(CCC(=O)N[C@H](C)c2ccccc2O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 12520497 GNIROCXJAPQHNJ-GOSISDBHSA-N 484.622 3.746 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OCC 96193228 CJHVREHACAGQLU-YVLHZVERSA-N 463.943 3.591 10 40 JHCB COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c1 100542054 MTMGLTAPFJAQPJ-RJGXRXQPSA-N 467.477 3.699 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(I)cc3)C2=O)cc1Cl 408986965 NXJXJQCHSYUFBC-ZSOIEALJSA-N 466.662 3.919 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@@H]1C 4972332 XRESMPGYVTUMSP-LHKFMBCGSA-N 470.507 3.823 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9756001 JASKTXJMDDKYEP-RUZDIDTESA-N 477.542 3.851 10 40 JHCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c2c1 13097555 OTWKGURIUVHHBB-UHFFFAOYSA-N 464.946 3.853 10 40 JHCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123963 VHIANUFVZUUAJJ-FTGFMQHASA-N 472.552 3.636 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc(F)c1 107670677 FMAVTJQXWDBLLZ-YBFXNURJSA-N 450.422 3.668 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C(=O)O)cc1 223619110 KCCUZGHLHXHFAP-FGZHOGPDSA-N 450.564 3.542 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223653925 ORBSJBAJYXQPHR-DHIUTWEWSA-N 450.564 3.730 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1O 409348124 RLSCQAVUOSBPFT-YBEGLDIGSA-N 464.952 3.999 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1OC 2701152 NXUREKIKYQSGJW-LGMDPLHJSA-N 479.649 3.684 10 40 JHCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 8858062 KZUYXYVOFNBLCY-SILNSSARSA-N 499.706 3.926 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(NCCCO)nc12 9427802 WYEMXXAKYPJBCB-SILNSSARSA-N 494.642 3.631 10 40 JHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 16160788 FEFSXHZUZWRBAE-ZROIWOOFSA-N 464.219 3.624 10 40 JHCB COc1cc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc(OC)c1OC 35043428 QADXNXPLCPDHQU-XSFVSMFZSA-N 457.527 3.644 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC 103920246 VWAWYWGMMJNVMT-MOSHPQCFSA-N 464.503 3.735 10 40 JHCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Br)ccc1O 408585537 ZGZOKISACPEFHB-YBEGLDIGSA-N 459.252 3.940 10 40 JHCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409211316 MXFYOLSSFZXUEX-DTQASYIRSA-N 473.459 3.721 10 40 JHCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 9500284 SCSBUCIPQUTPDI-NREDLREFSA-N 453.483 3.968 10 40 JHCB CN(C)c1ccc(CNC(=O)CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)cc1 12634147 UNTKNCAGORKCHA-UHFFFAOYSA-N 476.668 3.509 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc4nonc34)C2=O)cc1 54360627 AJQUBQVXTNMDNV-ATVHPVEESA-N 454.533 3.852 10 40 JHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 96193269 HAJJTRXFAGSWJN-YBEGLDIGSA-N 470.869 3.589 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223185862 BGQRKZJDAZEEAI-UIOOFZCWSA-N 491.661 3.890 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc2c(c1)OCO2 223272824 KMQHURVJKFHLCZ-DNQXCXABSA-N 463.607 3.752 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408603413 QRWBMGFPSNFSHO-GDNBJRDFSA-N 453.794 3.880 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)NCc1ccco1 409148365 PLUFWJNWGLLBIV-UTYYKHSJSA-N 481.599 3.931 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)OC 409345765 JTDIJWVGIIYDHW-DJKKODMXSA-N 473.528 3.772 10 40 JHCB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)cc1 13670467 ZAGPYQXOWNSRRV-UHFFFAOYSA-N 479.602 3.871 10 40 JHCB CC(C)[C@]1(C)CC[C@H](C(=O)Nc2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 16739499 YPYKPUFUQFVHBP-NKIZTMCYSA-N 494.588 3.739 10 40 JHCB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)C1 28812290 HOMQMCGLNVZNNU-NRFANRHFSA-N 473.573 3.869 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1C#N 33729950 OOQCPJZLJUVVDY-MTJSOVHGSA-N 484.468 3.906 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 103596739 GTQUVYKOEQVKRG-HACRSSKKSA-N 478.553 3.865 10 40 JHCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123953 VHIANUFVZUUAJJ-IUBFCHALSA-N 472.552 3.636 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(OC)cc4OC)o3)CC2)cc1 224871324 KIAFRRKTWXCVRA-UHFFFAOYSA-N 451.523 3.649 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(C)c(C)c1 408867241 KNUZQLDYZSJMMK-UHFFFAOYSA-N 475.364 3.568 10 40 JHCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)cc1 408912408 QQHQCZRIEAHJAD-WSDLNYQXSA-N 460.465 3.858 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(Br)o2)C(=O)NC1=S 16362870 MDKPAECLRKEJAV-POHAHGRESA-N 470.142 3.944 10 40 JHCB Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 18245912 ADHSLZCRKXTXIJ-LCMQXORKSA-N 496.614 3.611 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1 19940563 ZOZWVFYCZJHYHW-SANMLTNESA-N 499.619 3.858 10 40 JHCB Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(N4CCNCC4)cc3)O2)c(Cl)c1 38944080 LOUXSEJZCPKWAX-QPPBQGQZSA-N 489.403 3.947 10 40 JHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)NC1=S 409137841 WUGIAJPBMIWMSI-UNOMPAQXSA-N 489.439 3.771 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2c(c1)OCO2 8819620 WJXTZICLZSQARG-OCKHKDLRSA-N 470.528 3.764 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 16914773 JGAJLVSVRBNXCN-SANMLTNESA-N 482.625 3.734 10 40 JHCB CN1CCN([C@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccc3c(c2)CCCN3C)CC1 22734767 ILXLDVRIEQBTEW-HSZRJFAPSA-N 460.544 3.806 10 40 JHCB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1OC 33563412 PBAFXRUKLMIJTH-ZHZULCJRSA-N 463.486 3.924 10 40 JHCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(OC(=O)c5ccco5)cc4)C(=O)N=C3S2)CC1 41084676 JQSUJZXKACAIQB-MGTNDIQKSA-N 463.519 3.807 10 40 JHCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 95551932 VBGOSYVTYSKGKI-IWIPYMOSSA-N 468.509 3.975 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223011475 PEOBQSBXFUJENU-FGZHOGPDSA-N 450.564 3.806 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccccc1 408535367 NUNAWJNEGASJIQ-GHRIWEEISA-N 460.417 3.720 10 40 JHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 408878800 BVGVKCSFDFRRMD-AQTBWJFISA-N 461.405 3.979 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)n1-c1ccccc1 13141832 XPLXDMWQAXKLSK-UHFFFAOYSA-N 466.559 3.918 10 40 JHCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 56896380 IFPYIIIFIZTXBV-XMMPIXPASA-N 487.025 3.585 10 40 JHCB O=C(Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc21)N1CCOCC1 59104661 ZFXUIVQUJHACER-MOSHPQCFSA-N 492.919 3.660 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223011877 DULWHAQYJLVMQZ-YADHBBJMSA-N 450.564 3.806 10 40 JHCB COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H](c3nccnc3-c3nccn3C)C2)ccn1 257266259 MCEZCSVVGKKAMI-OAQYLSRUSA-N 468.561 3.891 10 40 JHCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408786284 OHMIKOSPEZBXIN-JLPGSUDCSA-N 476.573 3.753 10 40 JHCB O=C(O)COc1c(Cl)cc(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 8742559 JILXXHWEGPWXHX-XGICHPGQSA-N 469.664 3.981 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1OC 8800172 NITAASMHSLICBP-QHCPKHFHSA-N 473.639 3.592 10 40 JHCB CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1 8858075 GSYHEAUQNYXBOE-HKWRFOASSA-N 497.690 3.679 10 40 JHCB COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1OC 9369194 PKCBTWPQXHUOMV-HXUWFJFHSA-N 450.378 3.637 10 40 JHCB Cc1ccc(-n2nnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)c1 12586694 CFROAVASNIBLHC-JOCHJYFZSA-N 480.638 3.645 10 40 JHCB C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CC(=O)Nc2ccccc21 15688129 JCGSFHUSKFKMIH-CYBMUJFWSA-N 488.883 3.646 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18180012 FUSHGSHDLUSJRB-FSSWDIPSSA-N 455.441 3.829 10 40 JHCB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 29826570 VIEWLMKOSQELEI-UHFFFAOYSA-N 482.606 3.682 10 40 JHCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408776994 SXXHKAXNDMFHCW-PZLPMSIKSA-N 476.529 3.556 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408797969 HJWIXKHHKBRLTD-UDWIEESQSA-N 489.440 3.554 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408875758 KPIQEIRLQDXJMO-MDWZMJQESA-N 482.661 3.620 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409083000 ULNBGXDVUBPWAN-UHFFFAOYSA-N 485.758 3.817 10 40 JHCB CCOC(=O)c1oc2c(CN3CCC[C@H]3C(=O)O)c(O)ccc2c(=O)c1Oc1ccccc1 2097562 ZJWJQZNEDYLNOO-KRWDZBQOSA-N 453.447 3.517 10 40 JHCB biogenic COc1ccc(OC)c(CC(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 9986437 YTVIOOVNNYKQPP-HNNXBMFYSA-N 473.481 3.592 10 40 JHCB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1 23157321 XZPHOUQNJVXSMD-NRFANRHFSA-N 465.579 3.734 10 40 JHCB CCNc1nc(NCC)n2c(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)nnc2n1 27526653 CWAQCGABIHWSQU-UHFFFAOYSA-N 469.600 3.546 10 40 JHCB O=C1C[C@@H](c2ccc3nccnc3c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222525 ZJLZWMJTRBEUEV-ZDUSSCGKSA-N 484.420 3.667 10 40 JHCB biogenic CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1 225716282 MFOQANGNMPBYTN-UHFFFAOYSA-N 464.956 3.818 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408803772 AGWGFZWCYIBCGT-CIAFOILYSA-N 489.440 3.554 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 2149686 UTYCSNKCTOSKIK-UHFFFAOYSA-N 474.966 3.728 10 40 JHCB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc(CN2CCOCC2)cc1)CO3 20622403 HFTMVRQVTYSCIE-UHFFFAOYSA-N 498.963 3.659 10 40 JHCB CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 59138950 SGVCIPHCVWUSMV-SFQUDFHCSA-N 462.374 3.772 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408875154 GLMBPHIKHQTYSJ-RQZCQDPDSA-N 476.270 3.583 10 40 JHCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 2323232 KHSCZSYIBMPIQP-IYWFSZBXSA-N 472.636 3.701 10 40 JHCB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225952159 RDRJZUHYACRLBT-HXUWFJFHSA-N 495.697 3.779 10 40 JHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409059448 RAKYTSLPRWGNOK-QNGOZBTKSA-N 466.534 3.590 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C 409141233 MRXUYCDCQXDZGC-FYJGNVAPSA-N 458.474 3.973 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1 409272606 QYDYTUBYYGZPMO-BUVRLJJBSA-N 499.523 3.996 10 40 JHCB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1O)c1cccc2ccccc12 3620214 GSGNBSLPBVSXQS-UHFFFAOYSA-N 472.522 3.923 10 40 JHCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\NC(=S)Nc1c(CC)cccc1CC 104304435 OSSLYUMHLCFWGA-CYVLTUHYSA-N 450.564 3.948 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225486555 AOYLIFIYUMQJBN-UHFFFAOYSA-N 459.587 3.533 10 40 JHCB COc1cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)ccc1OCc1ccccc1 408538762 QJXGJTMPGJHHKO-UHFFFAOYSA-N 474.538 3.768 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)c(C)c1 409100033 PHLHGOLTJLZPHV-SKCQWOFPSA-N 456.520 3.787 10 40 JHCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\C=C\c1ccccc1Cl 824588 GHQLUVGEZBESMU-VLVOFSMPSA-N 450.663 3.962 10 40 JHCB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)CC2)cc1 8742871 XDMWTPBYLHAEGI-LJQANCHMSA-N 467.875 3.822 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504137 WQWQMLBQXXTTPO-QHCPKHFHSA-N 450.587 3.747 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 102476209 CDSOKUWRWIWSPC-ZKZDLDBDSA-N 478.553 3.865 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)cc1 408775596 JABMEGOSQYRBRG-CIAFOILYSA-N 456.454 3.969 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1 409218911 YGMCLHDTPFBFAX-KGENOOAVSA-N 473.485 3.857 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1 100154573 YGYAITKGVIYKEA-VABKMULXSA-N 496.475 3.907 10 40 JHCB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c1 102857540 KEFOEEVQHBMHQG-UYRXBGFRSA-N 459.506 3.829 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223691035 IKOVEEOXFQCKMO-DHIUTWEWSA-N 478.574 3.723 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)cc1Cl 409228479 AORGAXXBMGLGMA-RGVLZGJSSA-N 492.988 3.986 10 40 JHCB COC(=O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1810284 CVUOJLNSLAXIAA-ZCXUNETKSA-N 458.948 3.631 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)Nc4ccc(C)cc4)c3)CC2)cc1 3378339 OTDZENIYOKFLSX-UHFFFAOYSA-N 495.601 3.775 10 40 JHCB CCCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 8858350 FFXWWLIGAKTRBD-ICFOKQHNSA-N 460.625 3.924 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)[C@@H]4CC(=O)OC45CCCCC5)c3)CC2)cc1 27739533 NTHCFKDTOBHPAO-DEOSSOPVSA-N 491.588 3.862 10 40 JHCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 41084979 JQIIYEJJZQEDSF-CSQJVAFZSA-N 491.573 3.825 10 40 JHCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cc(C)on1 44085994 DEORUYRDBQAMET-UHFFFAOYSA-N 465.329 3.513 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1 59139593 PRKRYHJLIFDKCF-UHFFFAOYSA-N 489.391 3.944 10 40 JHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728971 MXVBXBCVWVYOON-UNOMPAQXSA-N 470.463 3.576 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 112296108 XDYAKFKOKCTIGT-STZFKDTASA-N 450.520 3.634 10 40 JHCB CCc1ccccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408531281 NPYIXPXBAQFBOT-RVDMUPIBSA-N 471.311 3.608 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2)C(=O)N1 408813908 FALNJCFRSISCFG-UHFFFAOYSA-N 480.112 3.540 10 40 JHCB CCN(CC)c1ccc([C@H]2N(C(=O)C(F)(F)F)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 10078555 BMUTVLOOZRDBLB-FQEVSTJZSA-N 469.529 3.935 10 40 JHCB COc1ccc(CCN2C(=O)/C(=C\c3cc4ccccc4[nH]c3=O)SC2=S)cc1OC 13766225 RUSAPLCYIZEFJG-DEDYPNTBSA-N 452.557 3.989 10 40 JHCB Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NS(=O)(=O)c3cccc4nsnc34)cc21 21883929 MHMMBTWADXNNRF-UHFFFAOYSA-N 483.600 3.834 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCC(=O)OC 59135468 IBLAWURDKFTUPU-OVCLIPMQSA-N 476.844 3.936 10 40 JHCB CC(C)[C@]1(C)CC[C@@H](C(=O)Nc2ccc(NC(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 100919986 YPYKPUFUQFVHBP-GBRFKBJVSA-N 494.588 3.739 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 101230582 HYYLXAPWWYFABG-VJBWXMMDSA-N 451.478 3.999 10 40 JHCB COc1ccccc1N(CCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 225335304 POSJZNVBYWDHGE-HXUWFJFHSA-N 473.639 3.794 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409097915 JPZYPKGXUZYFNZ-LDADJPATSA-N 451.891 3.660 10 40 JHCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc2c(c1)OCO2 409165971 BTKCLQFEKXTNAF-RGVLZGJSSA-N 451.504 3.691 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1 409191392 GIASAYMBMPRUJG-BKUYFWCQSA-N 459.527 3.932 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C(=O)O)ccc3OCC)C2=O)cc1OCC 409203897 YYOGAGMJWZMDLQ-QGOAFFKASA-N 482.489 3.637 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)cc1 409235990 DUHPPFSPNNUALH-KGENOOAVSA-N 467.547 3.515 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc([N+](=O)[O-])cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23157678 HXIALFZZJGUTCF-HXUWFJFHSA-N 480.550 3.633 10 40 JHCB N=C1/C(=C/c2c(-c3ccc(Cl)cc3)nc3sccn23)C(=O)N=C2SC(N3CCOCC3)=NN12 33582939 MAKDEOCNSHYYAX-DCQTTXEGSA-N 497.993 3.625 10 40 JHCB Cc1ccccc1OCCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O 41085117 GFFKPQFOCIVSSB-MYCBFFIWSA-N 462.579 3.938 10 40 JHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408530197 LDPXUTACTSNJMQ-WQRHYEAKSA-N 473.938 3.863 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 408535447 SSGMYXCEHZSKSP-CPNJWEJPSA-N 474.477 3.539 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409188189 BOUTWWZHVVPNRB-LDADJPATSA-N 496.342 3.769 10 40 JHCB CCOC(=O)Cc1csc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 13075658 VZZMTTGKPLKTNK-UHFFFAOYSA-N 466.540 3.755 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]23)cc1 13512109 DXCMTIXTNZQAPA-VJBWXMMDSA-N 469.468 3.825 10 40 JHCB CCOc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OCC)c1OCC 23080556 ZXPKHHUJCCOTKN-DEOSSOPVSA-N 498.668 3.667 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2nnc(-c3ccccc3)s2)C1=O 408535563 TXVXQVPCNZRHCL-RVDMUPIBSA-N 498.362 4.109 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(Br)c1 409249815 OYVYYVJVWHXVFE-VXLYETTFSA-N 465.307 3.918 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13672621 LKINIHAAUKZBQF-RUZDIDTESA-N 477.586 3.560 10 40 JHCB CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 13712213 XFLRFTFKCPIMOB-AQTBWJFISA-N 484.603 3.916 10 40 JHCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085082 ZSAWKSIGZXJCEG-ZJMJMQDBSA-N 463.494 3.717 10 40 JHCB Cc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 95471549 FEQYHASANUSOAO-JCMHNJIXSA-N 490.541 3.683 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409093088 XGUBGPDWCDWPMV-UHFFFAOYSA-N 483.245 3.516 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c(OC)c1 409106142 MOOWVISPJOPQJU-MOSHPQCFSA-N 461.543 3.943 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1OCc1ccc(C(=O)O)cc1 409186575 DYQXOXSYHSEKMB-KGENOOAVSA-N 486.480 3.947 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1I 9322216 HNENOPHBWBKGFO-OQLLNIDSSA-N 492.338 3.748 10 40 JHCB COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccccc2)C1=O 13898375 ONMCWJKODCUERD-CAPFRKAQSA-N 475.457 3.523 10 40 JHCB Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18077527 KVOSZFRDQRAWBI-FKBYEOEOSA-N 455.441 3.829 10 40 JHCB CC(C)n1nccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221588 NXVYZUMNFNZRBN-GFCCVEGCSA-N 464.430 3.501 10 40 JHCB biogenic COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1O 408811316 BIVIPYXLGMVTIY-OVCLIPMQSA-N 461.337 3.611 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccc2c(c1)OCO2 33562099 PTRXZXZRXNKXGB-WQRHYEAKSA-N 462.845 3.749 10 40 JHCB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)C[C@@H]1C 61943446 WPBOJNSCFPDRDA-SFHVURJKSA-N 494.592 3.901 10 40 JHCB COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 108125266 XRBQVAVEDSUZMW-HYARGMPZSA-N 489.459 3.518 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)ccc2Cc2ccccc2Br)C(=O)N1 408871279 ZANZENXZFUQUKJ-UHFFFAOYSA-N 464.113 3.552 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 409230410 DEPGCRHZOKDOKD-GHRIWEEISA-N 477.429 3.929 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409230846 GJBJWUVHHAWZRS-BKUYFWCQSA-N 489.488 3.542 10 40 JHCB CC(C)(C)c1cccc(CN2CC(=O)NCCCCCOc3ccc(CC(=O)O)cc3C2)c1O 643574718 LONHARAEBQZQCV-UHFFFAOYSA-N 468.594 3.998 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 20061095 YZXMSXBTDZPBSY-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C(O)=NC2=S)c(OC)c1 32117122 DTQUORJDXAONIE-PDGQHHTCSA-N 477.498 3.864 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408595543 XHKYXCPJYFTBHN-WSDLNYQXSA-N 463.465 3.790 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)C(=O)NC2=S)c1 409243263 RITSHXPTYLVFKG-KGENOOAVSA-N 465.575 3.916 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 9259383 UPYWYAFEADLEMS-UHFFFAOYSA-N 488.949 3.615 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 9311858 VGEXHTPZYUXBMP-NTUHNPAUSA-N 452.761 3.767 10 40 JHCB COc1ccc(-n2nc3ccc4c(c3n2)[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)N4)cc1Cl 96116742 DZJFMRUWHORNGF-CYBMUJFWSA-N 466.881 3.976 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C(=O)O)ccc2C)C1=O 408531656 LAUFLNMWMHXRCC-XNTDXEJSSA-N 472.295 3.597 10 40 JHCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 408804925 HHTQFUZONAOFLU-QGOAFFKASA-N 456.882 3.972 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccc(OC)cc34)C(=O)NC2=S)c(OC)c1 409102834 WFDNIFKPCCADCX-CPNJWEJPSA-N 478.526 3.706 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 409220094 YCJMLQWBAWDNFR-PXLXIMEGSA-N 498.626 3.724 10 40 JHCB COc1cc(OC)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1OC 3446121 MMIVKYXONISPBF-UHFFFAOYSA-N 467.474 3.888 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4F)c(F)c3)CC2)cc1 8810736 NEDDFIRONXOEAK-UHFFFAOYSA-N 487.528 3.737 10 40 JHCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 10085008 VOXCRXBILIRJTM-QGZVFWFLSA-N 498.468 3.603 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)c2C)cc1C 12609013 GXSOZIMLORRCOE-UHFFFAOYSA-N 467.591 3.540 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914996 MXNVMYTWKUPTSR-HSZRJFAPSA-N 488.654 3.795 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 18116495 OBJXDUOCWHRHAW-VJBWXMMDSA-N 451.478 3.999 10 40 JHCB COC(=O)[C@@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34863691 ARIDNNDKZXSWHE-PDICVPPASA-N 479.714 3.504 10 40 JHCB Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c3ccccc32)cc1 41084466 ORPDJNFOWBXNEY-VKPUNFQASA-N 484.585 3.907 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 71835166 IPCSBIPBYFHODA-RPBOFIJWSA-N 472.589 3.909 10 40 JHCB CC(C)N1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2429085 QIHCBLUCLXLEAO-UYRXBGFRSA-N 462.600 3.867 10 40 JHCB CCOc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 6148374 MEGKYAXYKSOWKY-UNOMPAQXSA-N 488.587 3.951 10 40 JHCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 15012517 FWIPLUSYZNQPQB-WQRHYEAKSA-N 496.317 3.633 10 40 JHCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)s1 17121685 JHKSWFSVIOHMQD-DEOSSOPVSA-N 484.691 3.964 10 40 JHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20286488 ZOPFPBLPDPUAGV-QNGOZBTKSA-N 480.525 3.834 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3cc4ccccc4c(C(=O)O)c3O)cc2)[C@@H]1C 104123554 CJIQAHORJBZHAW-TUGMJPTQSA-N 470.507 3.823 10 40 JHCB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccco1 408531933 HPBYAPJAXGGHIY-AFCKIONNSA-N 499.317 3.912 10 40 JHCB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc2ccccc12 408661148 MCBWXTVIQOYMAR-GIFXNVAJSA-N 482.536 3.884 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 8872530 GBQLRPUUVDUXRS-UNOMPAQXSA-N 497.544 3.645 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1 9637534 JGFZDKCXBGFEEA-UHFFFAOYSA-N 485.650 3.541 10 40 JHCB O=C(c1ccc(F)cc1)[C@@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12 20191016 KRONNNNNIWWILM-SNUWEPMUSA-N 480.495 3.811 10 40 JHCB CN1C[C@@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 35851933 WNNPRGGVTYMKOL-LQGLAIQGSA-N 475.595 3.956 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 10232939 WUNGOWHMROPJLL-NDENLUEZSA-N 451.573 3.737 10 40 JHCB CC(C)[C@]1(C)CC[C@H](C(=O)Nc2ccc(NC(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 35982076 YPYKPUFUQFVHBP-YUKNPRDTSA-N 494.588 3.739 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(I)o1 408763297 OWSGFTQKFXQRFO-RMKNXTFCSA-N 477.041 3.857 10 40 JHCB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 21786738 CVMZIXRJONVJGW-OAQYLSRUSA-N 483.590 3.636 10 40 JHCB N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084449 QYHAAISUGBAPCE-OTLVRQKTSA-N 473.967 3.993 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1 102782611 PMFCFDUUWAOEOT-ZTVFFDQVSA-N 495.535 3.698 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223014409 QFRDSLDXIDMHOL-XZOQPEGZSA-N 450.564 3.837 10 40 JHCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)n1-c1ccccc1 223206450 RFICFJIWIGPSFP-JWQCQUIFSA-N 461.635 3.876 10 40 JHCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409036250 BEPPZFMJKXIFBS-IZZDOVSWSA-N 470.350 3.749 10 40 JHCB CN(c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O)C1CCCCC1 1084323 ZVGISRMYTDEXOF-SQFNAUOLSA-N 484.647 3.844 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 1802041 XWVJVIMJPDGWKC-WQRHYEAKSA-N 472.544 3.632 10 40 JHCB NC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)sc2c1CCCC2 8820320 KCCPHTVLNTVRBU-RVDMUPIBSA-N 475.617 3.939 10 40 JHCB COc1cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc(OC)c1OC 12391815 GYRCGZLJXKBDSV-MRXNPFEDSA-N 450.491 3.760 10 40 JHCB Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 17135493 BJKUGIAOQVBUAH-MHZLTWQESA-N 478.662 3.903 10 40 JHCB COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422562 ZTUDBTWHLLVHMF-OCKHKDLRSA-N 486.615 3.687 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1Br 408876224 NZVKHEPBSPLVRV-UHFFFAOYSA-N 494.139 3.560 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2259774 FGWIUVBCCCBLDW-LPGQDOADSA-N 480.615 3.758 10 40 JHCB CN(C)c1ccc(CN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9457001 LZUWCOVXTHCZCP-ZHALLVOQSA-N 459.439 3.860 10 40 JHCB Cc1nn(CC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12517356 CVJGILNODUWTNF-UHFFFAOYSA-N 481.578 3.599 10 40 JHCB CCCC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 13505572 FKNQRMUHIJJYLJ-DEOSSOPVSA-N 494.640 3.995 10 40 JHCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1CCS(=O)(=O)O 35039959 RQXRBMGCBPAXPV-ZSOIEALJSA-N 474.925 3.597 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1F 59139584 JNSWVOPPKQMXBN-UHFFFAOYSA-N 493.354 3.775 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 100418947 JLYNNJFGIDTPQX-FKBYEOEOSA-N 455.441 3.829 10 40 JHCB COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 107771163 VSUNEALRXFIKBV-GHXNOFRVSA-N 452.102 3.682 10 40 JHCB Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)c1 409262483 HGUJNYCCBVLCJJ-JCMHNJIXSA-N 455.470 3.679 10 40 JHCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 2316640 FGDBJDXETGOURP-MNDPQUGUSA-N 485.679 3.536 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 9310857 MQWKFSJIFRGAPT-MLPAPPSSSA-N 465.314 3.597 10 40 JHCB Cc1cc(CNCc2ccco2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 13113292 BRNPPWYDJDLLRT-UHFFFAOYSA-N 498.649 3.598 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccccc1 408534558 MIGILNOTDQZNAE-CQSCESMJSA-N 460.486 3.565 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c(OCC)c1 408930703 AYOVSXUXMAKBFG-XSFVSMFZSA-N 489.484 3.639 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)cc1 409066017 LJDMVMCHNFJTEV-STZFKDTASA-N 480.473 3.568 10 40 JHCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 409259922 HULORXUYCKZVPU-KGENOOAVSA-N 473.460 3.818 10 40 JHCB Cc1csc(CCNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)n1 1616044639 LFDBYQOKIAHSHA-SANMLTNESA-N 485.613 3.912 10 40 JHCB N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9282032 ADUORGRYVJCJPM-VFHVDCSJSA-N 491.529 3.667 10 40 JHCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 13598573 CPGBFIRFDRWHLD-GRSHGNNSSA-N 494.598 3.893 10 40 JHCB Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1 20207389 FMWGPLMOERXXJL-FIUAZEGQSA-N 496.570 3.614 10 40 JHCB Cc1cc(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 36394905 QKNCTDMYCCYRJJ-HSZRJFAPSA-N 479.552 3.837 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(C)c(C)c1 408873403 QOEKHQWNQPSMMC-UHFFFAOYSA-N 489.391 3.958 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 409016453 TUDACXLDGIJATR-UDWIEESQSA-N 477.517 3.851 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 9065834 FOUGYKYLEBSCJK-VKAVYKQESA-N 482.027 3.622 10 40 JHCB Cc1cc(C(=O)CSc2nccn2Cc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9245106 XBRPWUWPFDXHHZ-UHFFFAOYSA-N 480.615 3.961 10 40 JHCB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccc(OC)c(OC)c3)CC4=O)CC2)cc1 10156590 FBLGWQHBJTWALU-LJQANCHMSA-N 474.561 3.742 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 59238482 JACYDGHOAFGDPQ-KGENOOAVSA-N 488.521 3.804 10 40 JHCB CN1C(=O)C(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)N(C)C1=O 59437405 UTPAEBJPJDGAFZ-UHFFFAOYSA-N 452.308 3.886 10 40 JHCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cc(C(=O)O)cc(C(=O)O)c5)c4C)c(=O)n3c2cc1C 408848627 RLISPTZFESUXOU-JJFYIABZSA-N 487.537 3.878 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408873914 XDADXEVWJVKPDV-LICLKQGHSA-N 490.297 3.973 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cccs1 409057236 VECAFMOVKCOHML-JDCXBEBJSA-N 493.654 3.768 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 409088155 DWKGBPBYGOGUNT-LICLKQGHSA-N 450.925 3.523 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2377893 HVPAOYDXUFMMJS-LGMDPLHJSA-N 471.535 3.864 10 40 JHCB COc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 13672548 UVCBCTHEMJJZSC-UHFFFAOYSA-N 479.602 3.807 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(C)Cc3cc(=O)[nH]c4ccccc34)C2=O)cc1 28297016 WUVWVINAMCOBEG-FYJGNVAPSA-N 493.610 3.787 10 40 JHCB COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCO2 96114579 PCMVQZRTFDXQGU-CYBMUJFWSA-N 490.420 3.755 10 40 JHCB biogenic COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96222712 HLXMXCUBPFOGMH-AWEZNQCLSA-N 462.410 3.732 10 40 JHCB biogenic Cc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100670088 MEHQTIIZWCGPQP-SGNDLWITSA-N 465.505 3.994 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)cc3)C(C(=O)OC)=C2C)cc1 408778513 GPUMMOQRGMOXPR-STZFKDTASA-N 451.475 3.514 10 40 JHCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 409245340 RDLHKQSSRQNNMV-CIAFOILYSA-N 499.914 3.995 10 40 JHCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 9042813 AUUKDUDJTFXMKU-UNOMPAQXSA-N 466.475 3.617 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)ccc1OCC(=O)O 14010700 WKJOEDCBINCFEH-NVNXTCNLSA-N 489.278 3.818 10 40 JHCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 260838942 FPYUUTTYBXWPQX-MOPGFXCFSA-N 459.612 3.717 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N4c5ccc(OC)cc5C=C[C@@H]4[C@@H]3C2=O)cc1 2427607 GVIXKNWAVMHRND-LDVJMBRRSA-N 460.530 3.709 10 40 JHCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008137 WJJBONMWNSSADQ-QHCPKHFHSA-N 455.002 3.923 10 40 JHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409099614 OUMRQHHWMNFIEZ-LDADJPATSA-N 480.274 3.604 10 40 JHCB CN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 409333598 URHCYOWUJGTSAM-UFWORHAWSA-N 451.529 3.840 10 40 JHCB COc1ccc(N2CCC(O)(CN3[C@@H](c4ccccc4)C[C@@]4(C)[C@H](O)[C@H](O)CCC[C@@H]34)CC2)cc1 585283851 PIGZADFSUOIIFZ-JQPIIJRMSA-N 480.649 3.754 10 40 JHCB COc1ccc(CCNC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1OC 1010389 JUIJOBISCZBGCK-UHFFFAOYSA-N 466.519 3.860 10 40 JHCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C1=O 5947686 UFEJGSOHYIHGPL-LDADJPATSA-N 451.483 3.925 10 40 JHCB O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 8828416 WYPRIGQXCYXSTG-ZROIWOOFSA-N 463.334 3.694 10 40 JHCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)CC2)cc1 16293297 PIIUGXHUNPZDJQ-UHFFFAOYSA-N 495.601 3.532 10 40 JHCB CCN(CC)c1ccc([C@H]2N(C(=O)C(F)(F)F)CCN2S(=O)(=O)c2ccccc2)cc1 20070092 GSQHYTFURGEJGT-IBGZPJMESA-N 455.502 3.627 10 40 JHCB COc1ccc(N2CCN(C[C@@H](NS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1 58163971 ZOILSBGSIYRQJT-RUZDIDTESA-N 451.592 3.537 10 40 JHCB COc1cc(Br)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1OC 59104905 FAABVUDNMHDCJP-AWNIVKPZSA-N 475.251 3.702 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 408779416 WODDDUKNHKXBDW-BUVRLJJBSA-N 488.519 3.736 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC(C)=O 408857085 KTUYMKOQDRILJX-XYOKQWHBSA-N 465.314 3.759 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 409122626 AJFJNPYPPKLPHQ-XDHOZWIPSA-N 461.543 3.653 10 40 JHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409166011 BZFGGGCHHQOROT-NBVRZTHBSA-N 451.548 3.525 10 40 JHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 409235252 ZFZCOQNAHMEHGV-CIAFOILYSA-N 467.441 3.659 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1OC(C)C 409393148 PFVZQRYWGLJPDJ-OQLLNIDSSA-N 474.311 3.696 10 40 JHCB O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 1252822 RISBZALGAXPXIW-LGMDPLHJSA-N 452.561 3.679 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1OC 2370888 WSEQHHYBFHIPAU-AQTBWJFISA-N 467.572 3.907 10 40 JHCB Cc1c(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 8820376 HMTUPEOJZDDFCE-RGRQOOPWSA-N 490.610 3.881 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)CC1 9310603 FRPGSJNEPHVJDG-MNDPQUGUSA-N 475.636 3.531 10 40 JHCB CN1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@]12C(=O)Nc1ccccc12 35851615 UKKCOOAIIPKUHB-PBXQCXKZSA-N 486.622 3.758 10 40 JHCB COc1ccc(N2CCN(C(=O)CN3C(=O)C(c4ccccc4)=NC34CCC(C)CC4)CC2)cc1 71327912 RBEPGBLAWFKMPT-UHFFFAOYSA-N 474.605 3.582 10 40 JHCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c([N+](=O)[O-])c1 223274018 VHCISEOSCMWTBK-ZEQRLZLVSA-N 494.621 3.940 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@@H](CO)Cc4ccccc4)c4ccccc34)[C@@H]21 1616044648 NDULOCISFNDHMT-ONOMSOESSA-N 494.595 3.508 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 8819363 LGUIGJPFKVNFOD-UNOMPAQXSA-N 458.561 3.942 10 40 JHCB COc1ccc(Br)cc1S(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 12541807 NVOFYYHZRJQWMJ-VIFPVBQESA-N 459.387 3.544 10 40 JHCB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 69348862 HOHYHBLLUXDPQK-UHFFFAOYSA-N 475.593 3.961 10 40 JHCB COc1cccc(Oc2c(C(F)(F)F)oc3c(CN(C)CC(=O)O)c(O)ccc3c2=O)c1 94993343 DRPFCNDOMWULLW-UHFFFAOYSA-N 453.369 3.835 10 40 JHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 409002806 AXHNULMRVYFWCI-LPYMAVHISA-N 493.560 3.562 10 40 JHCB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c(C)c1 409137221 UWOUAVIDSOWTIQ-FYJGNVAPSA-N 467.591 3.915 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 409246352 BKYIJQXSXZBPBD-HMAPJEAMSA-N 458.518 3.943 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cc5ccccc5cc4O)n3C)CC2)cc1 17995966 JPLGGXMXOVYUKB-UHFFFAOYSA-N 489.601 3.790 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4cc(OC)ccc4N2[C@H]3C(=O)C(C)(C)C)cc1 18010917 GVIXKNWAVMHRND-CWBXHPNXSA-N 460.530 3.709 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 100789905 YELXRFXLPAPXNK-SIUCFOQUSA-N 455.525 3.522 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 408915565 XYRPPHDPGSRVPB-CXUHLZMHSA-N 489.391 3.992 10 40 JHCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@H]21 6177643 JMVHJZVLXNTUQY-JTAQYXEDSA-N 454.548 3.541 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)cc1OC 8430122 ARXNAFUTTSHLTI-CPNJWEJPSA-N 482.533 3.943 10 40 JHCB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 13613147 YBORROFHMXWUBM-UHFFFAOYSA-N 494.573 3.707 10 40 JHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3cccs3)c2C)c1 15156160 LPVJAKRUGRXVGP-UHFFFAOYSA-N 455.488 3.769 10 40 JHCB CN1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 35851932 WNNPRGGVTYMKOL-NGXZDTIWSA-N 475.595 3.956 10 40 JHCB Cc1cc(C(=O)COC(=O)CCc2nc(=O)c3ccccc3n2C)c(C)n1-c1ccc(F)cc1 102246801 LWOXPXBZJLKSCQ-UHFFFAOYSA-N 461.493 3.839 10 40 JHCB CCOc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 107599703 HAQNVGJHYUBJEX-BKUYFWCQSA-N 463.490 3.965 10 40 JHCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3cccc(C)c3)C2=O)c1 108069093 CSABKCUIDFARNR-STZFKDTASA-N 456.454 3.889 10 40 JHCB CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 408762060 MRNYMMOWKZRVKJ-DHDCSXOGSA-N 491.363 3.696 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(OC)c3)C2=O)cc1 408872824 JJHVICAXMWTMJI-FYJGNVAPSA-N 488.471 3.878 10 40 JHCB COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc([N+](=O)[O-])c1 2635181 ICOQIWOJBQJHFQ-UHFFFAOYSA-N 480.429 3.557 10 40 JHCB O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221264 DTJASHIVIOOMEP-GFCCVEGCSA-N 477.381 3.632 10 40 JHCB biogenic COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3C)CC2)cc1 408704187 YIJLZQLXJYVZMF-UHFFFAOYSA-N 471.623 3.531 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cccs1 409059426 NCXVIEZCCVVUFV-QFVBLGFASA-N 493.654 3.768 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409067671 PFRSEEDOIBFSBM-STZFKDTASA-N 451.548 3.815 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 409232375 OLGPXKMCYBIVIV-NDENLUEZSA-N 487.965 3.860 10 40 JHCB CCN(CCCNc1cc2c(c(N)c1S(=O)(=O)O)C(=O)c1ccccc1C2=O)c1ccccc1 4830832 MLKZDEVVJIFGFR-UHFFFAOYSA-N 479.558 3.619 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(I)cc1 59426696 OCYMZGYMORLRGX-NTEUORMPSA-N 452.635 3.611 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1OC 409220620 CIVTXGIBVMILNN-GXDHUFHOSA-N 489.322 3.922 10 40 JHCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1Cl 409257245 PKAZXAVDDFXEIW-UHFFFAOYSA-N 498.775 3.887 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccnc4)c4ccccc34)[C@H]21 1565524336 GEPGNXIATSAJLC-MHZLTWQESA-N 465.557 3.890 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)CC2)cc1 13678715 FAISIHICAFOZCL-UHFFFAOYSA-N 465.575 3.767 10 40 JHCB COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 16671877 CNHURGLJEPASDF-SILNSSARSA-N 454.552 3.588 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 41077822 HUIMUQOLIDNQIC-MVGHURLUSA-N 498.586 3.847 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 223222624 UILDFNMRGHYATL-INIZCTEOSA-N 468.019 3.666 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223636098 VUFVBUYPHJMEQV-DHIUTWEWSA-N 464.591 3.631 10 40 JHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408530046 KVXHIMCUDLTJMB-UVTDQMKNSA-N 455.316 3.816 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 408743143 ZLZTVEZECUOFJH-IZZDOVSWSA-N 466.085 3.584 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccccc1Br 409246856 FJBCIZPFBNYQBT-GZTJUZNOSA-N 465.307 3.918 10 40 JHCB CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2253367 RBZMWNDNPTVUDU-ATVHPVEESA-N 460.625 3.841 10 40 JHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2441175 ZUTDAWTWLZTAEP-ODYDIQAQSA-N 460.514 3.685 10 40 JHCB C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1CCc2ccccc21 9834417 NUZXRULKFVMUJH-CQSZACIVSA-N 470.437 3.505 10 40 JHCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 408918834 PPFXCOVGHMBWKR-WQRHYEAKSA-N 450.447 3.924 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(OC)c1OC 2262805 OHUXFKMNJQVBTK-CXUHLZMHSA-N 464.952 3.912 10 40 JHCB COC(=O)c1ccc(N2CCN(C3=NC(=O)/C(=C/C=C/c4ccccc4)S3)CC2)c([N+](=O)[O-])c1 8762602 IBEGFLHLUKAZFD-IITPSFRQSA-N 478.530 3.730 10 40 JHCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 25784828 WYDUPMJEJGLJRZ-AREMUKBSSA-N 465.619 3.845 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O 35851573 KMMWZRLEGSDVLQ-CNVLFFCLSA-N 489.622 3.980 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1 41077722 IZVVIXOZDFBSCK-IHCXJTTMSA-N 469.331 3.875 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1 41085314 PVENGBNLYGALAK-OOEDSJJISA-N 469.592 3.742 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)ccc1Br 408762252 AJSXSHCCWRAPSQ-WUXMJOGZSA-N 480.658 3.691 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 409000177 XJZZAGJTJQEGNV-BKUYFWCQSA-N 452.482 3.606 10 40 JHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@H]21 6177639 JMVHJZVLXNTUQY-SXWKCWPCSA-N 454.548 3.541 10 40 JHCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)S1 8821923 PBIDMXHIVYQLCE-PFONDFGASA-N 458.293 3.860 10 40 JHCB COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 13399992 DDCRMSBLLQWZOP-UNOMPAQXSA-N 488.587 3.951 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccco1 408529254 CMFRJMUAPAHSHX-QGOAFFKASA-N 460.442 3.872 10 40 JHCB CCNc1nc(NCC)n2c(S[C@H](C)C(=O)c3ccc(Br)cc3)nnc2n1 8871573 JACUBUXJIKJPRL-SNVBAGLBSA-N 450.366 3.509 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 9462055 LVXNJFZIGUTHHS-BOPFTXTBSA-N 460.625 3.699 10 40 JHCB CCOC(=O)CCc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O 12891610 KDIDIMAVONKXQJ-UHFFFAOYSA-N 455.507 3.610 10 40 JHCB biogenic COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc(OC)c1OC 13399977 LAHFGVXTLPUMTL-AQTBWJFISA-N 458.561 3.942 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccccc1F 20207448 RQTJOFPABYBXCM-IQGAPNPZSA-N 473.555 3.633 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 408776411 OFPSCEFKWRTQLG-MHWRWJLKSA-N 453.794 3.880 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409105439 JKRRSNPZAHBSIG-GZTJUZNOSA-N 455.898 3.624 10 40 JHCB CCN(CC)c1ccc(CN(C(=O)/C=C/c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9282708 ZQLZVGHQVGQUMS-VOCPSOEZSA-N 456.608 3.771 10 40 JHCB CCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 9463120 CIKKWTIGMWOAPB-VKAVYKQESA-N 460.625 3.923 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1O 16688151 WIKJLNKUVWTZFD-XFFZJAGNSA-N 465.300 3.524 10 40 JHCB CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)c(C)oc23)CC1 20391172 YSDLBYBDXFPTGQ-UHFFFAOYSA-N 452.507 3.523 10 40 JHCB biogenic COc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1ccco1 33456984 CDSCYYQYOVMULR-ULZKCLHWSA-N 462.443 3.768 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F 107954173 ZYHFADNTFXZHFE-RGEXLXHISA-N 475.476 3.703 10 40 JHCB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)NC1=S 408914476 XZUUBFHYBJJGGB-AWNIVKPZSA-N 466.302 3.737 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 409098100 PJJNLVMTJKTDPH-GZTJUZNOSA-N 471.966 3.789 10 40 JHCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S 409207468 UNCFGRMJZGJTSM-ZSOIEALJSA-N 456.330 3.953 10 40 JHCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)c(Cl)c1 409354893 BTONTFFEHSRECX-SOFYXZRVSA-N 477.907 3.832 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)c1 8819181 PGJOMAKENPNBAH-WQRHYEAKSA-N 473.532 3.929 10 40 JHCB COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCCC1 9767607 KZPMWLQALDYRHW-UHFFFAOYSA-N 496.585 3.927 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cnc4scc(-c5ccc(C)cc5)n4c3=O)CC2)cc1 20768205 IHMJRVNYJZYXNO-UHFFFAOYSA-N 460.559 3.702 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1 223138193 UABQPNIMYSMTFK-LOSJGSFVSA-N 461.635 3.794 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(=O)O)c1 223618902 OJQIOCYQMVKTRO-FGZHOGPDSA-N 450.564 3.542 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223673268 OBYNUSROOTZQMY-DHIUTWEWSA-N 450.564 3.725 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)c1 409269141 FWRDRGGWUCNTTP-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c3ccccc32)o1 409392796 NROMVYSWAHJQOR-DEDYPNTBSA-N 485.521 3.901 10 40 JHCB CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 5946227 SJHWMNQEQRTECV-UHFFFAOYSA-N 453.564 3.650 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 104090813 LSCJCAMSAXFPGW-WTVYTQLBSA-N 463.523 3.769 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223707336 GPWIJQQEOZMSAX-DHIUTWEWSA-N 450.564 3.725 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 225472816 XGLPJIXRQLAUAP-HXUWFJFHSA-N 455.624 3.640 10 40 JHCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)CC1 225793539 FUXISYUCKCAFHL-OAHLLOKOSA-N 465.645 3.799 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 408912445 QTHQUILMYJBTRF-VGOFMYFVSA-N 495.782 3.947 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cccs1 409059425 NCXVIEZCCVVUFV-JDCXBEBJSA-N 493.654 3.768 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1 6387849 IVDUBLMHCXIYCS-WJDWOHSUSA-N 474.380 3.745 10 40 JHCB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9964005 KINYCTCYGKYPRB-UHFFFAOYSA-N 475.917 3.822 10 40 JHCB Cc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O 13541752 DZPGGQKWPDGVDA-XYHYBEPMSA-N 493.610 3.881 10 40 JHCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)cc1 27025409 QWHGJQQWJBPSFU-JDCXBEBJSA-N 496.032 3.908 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223707853 LHTXJPKOIRXGTK-RPWUZVMVSA-N 492.601 3.811 10 40 JHCB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409207772 ZRRGXWGPMWTCBD-XNXRSNERSA-N 476.577 3.835 10 40 JHCB Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)ccc1Br 8743118 YHBGVJXOXPTNIY-OQLLNIDSSA-N 459.252 3.728 10 40 JHCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 9113229 JZZJTBMCJHMPMP-LMMXRSGHSA-N 466.519 3.719 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCCC3)ccc21 9138297 IUZBUOKKEALKKV-HSZRJFAPSA-N 456.537 3.629 10 40 JHCB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)o1 9260355 WJYNLRSGIADZCX-UYRXBGFRSA-N 462.483 3.573 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)/C(=C/c3ccccc3)n3nnnc3C)c2C)cc1 9662436 OPGCUDFPEONEHK-IWIPYMOSSA-N 471.517 3.822 10 40 JHCB Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1NS(=O)(=O)c1ccccc1 13671319 FCRRLPQEEXDIFT-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB Cc1cc(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 18939090 DRQJWDRIPMVUEL-UHFFFAOYSA-N 452.001 3.771 10 40 JHCB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)n1-c1ccccc1F 22886454 RPBAAKCEZOPMJG-UHFFFAOYSA-N 489.594 3.624 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC#N 33716854 XQAYYCIPKJCMSB-UVTDQMKNSA-N 476.714 3.865 10 40 JHCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)ccc21 408538426 MREJCXBIRSHULH-XDJHFCHBSA-N 469.501 3.575 10 40 JHCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)C(C(=O)OC)=C1C 408771712 BLHVRTFKJRKALR-RGEXLXHISA-N 484.936 3.677 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Br)c3)C2=O)cc1 408805846 LUCWZFOXYHVIEA-LFIBNONCSA-N 487.306 3.691 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409124670 BWVRTDUVVZLABN-STZFKDTASA-N 485.537 3.736 10 40 JHCB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9463055 SOTVNKZVFKRRCE-PXNSSMCTSA-N 465.015 3.698 10 40 JHCB Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 12589823 LTXCLLVSGFVQMK-QFIPXVFZSA-N 465.623 3.942 10 40 JHCB CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)cc1 33538088 ZKWWVAXEHDJMAB-XDHOZWIPSA-N 457.577 3.793 10 40 JHCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 108901417 YNGLVFQMPRNHBQ-AZZDOICSSA-N 477.311 3.890 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225534251 QPBDIZLURMLCDK-HXUWFJFHSA-N 459.587 3.533 10 40 JHCB O=S(=O)(O)c1cc(O)c(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1Cl 299888231 AYHLSSSEVIQUHA-UHFFFAOYSA-N 458.857 3.813 10 40 JHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408805217 JQOUERUJZQZIGF-SFQUDFHCSA-N 459.296 3.913 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1 408901401 XTTGVXKDSJDHCN-HYARGMPZSA-N 473.460 3.818 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 409003422 FYSAYWQKZFAKQM-PXLXIMEGSA-N 455.470 3.679 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1OC 3264092 WELDFYZDOMCWMQ-SXGWCWSVSA-N 466.487 3.851 10 40 JHCB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135573 XWRMMBXSAKOUSA-JOCHJYFZSA-N 452.624 3.683 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C(=O)NC1=S 9264450 BLALVMDCWCIMBD-CPNJWEJPSA-N 489.553 3.941 10 40 JHCB CCCCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 17270500 VDNLGLWFUUUMBD-GFCCVEGCSA-N 463.625 3.683 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)cc1 20207382 LOXPNIJPMDYERO-OOEDSJJISA-N 469.592 3.802 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 95496451 WNOBUWCXKKCFJY-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223621643 RCZMSBILVKHIPW-XZOQPEGZSA-N 481.578 3.761 10 40 JHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)C1=O 408531006 GFCGUNCAMLAHTO-PDGQHHTCSA-N 470.437 3.609 10 40 JHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409039627 CUKFEFXZYMSXOL-YBFXNURJSA-N 456.520 3.789 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1OC 409233597 TUGWQJYNZZKENQ-NTEUORMPSA-N 461.337 3.606 10 40 JHCB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)NCc2ccco2)cc1 891385 LACNKTFAPBSDCG-UHFFFAOYSA-N 491.569 3.978 10 40 JHCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)c(O)c1 1778107 DPQVFGKVTKCUBF-CXUHLZMHSA-N 462.936 3.974 10 40 JHCB CCCC(=O)[C@@H](C(=O)OCC)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O 8835914 HRZZCBQJRXWXAZ-NRFANRHFSA-N 456.520 3.757 10 40 JHCB COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc(OC)c1O 9189251 BQDQBEXAMVVCIG-UNOMPAQXSA-N 459.955 3.855 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505468 MKEUKWMPXGZQGO-AREMUKBSSA-N 472.568 3.975 10 40 JHCB Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)N=C2O)c1 13810507 POEMYFVDDJBFRF-NSIKDUERSA-N 463.273 3.944 10 40 JHCB O=C(O)COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96114738 BZLGGQNSJHEPJK-OAHLLOKOSA-N 474.421 3.776 10 40 JHCB biogenic CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1OCC 409189797 IULJZEIKWCBEQB-LDADJPATSA-N 468.506 3.640 10 40 JHCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)C(=O)NC1=S 409210985 MOEQYLIXNWWLNF-RCCKNPSSSA-N 472.570 3.883 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(C)cc1C 9659950 MQKNNBMPIQUFFT-UHFFFAOYSA-N 452.507 3.594 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)ccc1O 10232976 XCPZRGOQDZVNTD-ODLFYWEKSA-N 482.539 3.737 10 40 JHCB Cc1cc(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 16045435 VUMARKIXQVARNY-UHFFFAOYSA-N 462.531 3.731 10 40 JHCB COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2O)cc1 26786826 GTQFCMKXSJWVIQ-UHFFFAOYSA-N 492.531 3.559 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 32939165 ODIQKTFBQWJCEV-ZDQFFALBSA-N 489.641 3.988 10 40 JHCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)CC1 41084620 FAPDHXHQMINKBI-XKVLWOBQSA-N 463.519 3.953 10 40 JHCB CCNc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 104323859 NYGXIUUDFXQSGG-MRCUWXFGSA-N 467.481 3.592 10 40 JHCB C[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 223887210 LUZBMLZXHZBDNY-SFHVURJKSA-N 464.031 3.969 10 40 JHCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 408549183 QKWBVGFMOQVBNC-FRKPEAEDSA-N 466.719 3.576 10 40 JHCB CCC(=O)NCCc1c(/C=C2/C(=O)N=C(S)N(c3cccc(C)c3)C2=O)[nH]c2ccccc12 1264653 GHKSEZBULLTPCW-RGEXLXHISA-N 460.559 3.788 10 40 JHCB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 19123460 FDPJCBRSKYRRQF-NHCUHLMSSA-N 495.620 3.736 10 40 JHCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 32109978 FNVQTPCCMXSRDK-RQZCQDPDSA-N 461.883 3.942 10 40 JHCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c(C)n1-c1ccccc1 39977894 XYYJDTMXSHBDNR-SFHVURJKSA-N 459.502 3.574 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409010845 LVUZDSGAMTXGNY-HZHRSRAPSA-N 492.553 3.944 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O 409346094 NDUDHNXQFTVCSH-YVLHZVERSA-N 462.936 3.820 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC 14133052 SRHIEODAGQGICU-NTEUORMPSA-N 459.296 3.831 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408807146 KJRZNMBEBYQUBR-DEDYPNTBSA-N 473.441 3.849 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408865614 DCOKCRDTPCVHCQ-LICLKQGHSA-N 490.297 3.973 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1OC 409234697 XIDOYUVRIHYNER-NTEUORMPSA-N 466.437 3.563 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 22008633 XFYVKFPQDNBZRA-HSZRJFAPSA-N 459.587 3.628 10 40 JHCB CCCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 33447955 RXYFZOMWLMTOFX-BRFSQIRFSA-N 455.623 3.653 10 40 JHCB N=C1/C(=C/c2ccc(-c3cc4c(cc3[N+](=O)[O-])OCO4)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 41074397 CWTWQKNPSXXOFA-FWJFCNGZSA-N 479.352 3.765 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223657590 HSUOQGBUAWWHGN-BJKOFHAPSA-N 478.574 3.753 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2F)C(=O)N1 409043635 SLGQFNYJVWQVPP-UHFFFAOYSA-N 498.102 3.679 10 40 JHCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N(C)C1=S 637617 SYOBQEAQPSPLAE-UHFFFAOYSA-N 453.951 3.972 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc(I)c1OC 993898 LQPKHJQLVXXDMK-ZSOIEALJSA-N 498.704 3.813 10 40 JHCB O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1 3104256 WSIKCTXNWSPIST-NTUHNPAUSA-N 473.238 3.981 10 40 JHCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9126815 GUJZKGSCTPLIKU-UHFFFAOYSA-N 456.593 3.602 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCCC3)ccc21 9165148 CMMOGLXVFOCDPQ-DEOSSOPVSA-N 469.029 3.682 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl 13668698 LOCIASSLFXUZKR-UHFFFAOYSA-N 456.395 3.676 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 16740703 ODIQKTFBQWJCEV-ZMIGGIFCSA-N 489.641 3.988 10 40 JHCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O 20533587 DXSRGCQCCJDVEK-IMBSWCNGSA-N 499.498 3.529 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 96298804 BVCCFCSRUWVCKM-XPWALMASSA-N 467.477 3.699 10 40 JHCB O=C(C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCCc1ccc(O)c(O)c1 524729395 RKHSQKUEKXVKFF-QGZVFWFLSA-N 489.480 3.519 10 40 JHCB biogenic COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505467 MKEUKWMPXGZQGO-SANMLTNESA-N 472.568 3.975 10 40 JHCB O=C(C1=CN(c2cccc(Br)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 21359503 BBTYLIRJGDDDIF-UHFFFAOYSA-N 451.317 3.977 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 36683785 XGMJCAGQZBRCDJ-AREMUKBSSA-N 472.589 3.616 10 40 JHCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c1C 41085310 DDLHAUJFJAEAHJ-GQZSXMDHSA-N 499.618 3.750 10 40 JHCB O=C1/C(=C/c2cc(I)c(O)cc2O)C(O)=NC(=S)N1c1ccccc1F 59135805 AEHSXQIQRZIFQB-WEVVVXLNSA-N 484.246 3.513 10 40 JHCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1O 96115810 UNZNEYCPXFEEGD-ZDUSSCGKSA-N 462.410 3.732 10 40 JHCB biogenic O=C1C[C@H](c2ccccc2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221011 ITVWHTDUBAHWBW-GFCCVEGCSA-N 450.374 3.863 10 40 JHCB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)c(C)c1 102673474 QIYAGGMHLSUSOD-DNVJHFABSA-N 451.478 3.999 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223011932 DULWHAQYJLVMQZ-FCHUYYIVSA-N 450.564 3.806 10 40 JHCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c([N+](=O)[O-])c1 223273958 VHCISEOSCMWTBK-BJKOFHAPSA-N 494.621 3.940 10 40 JHCB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 225500411 PYXAREAYAFOFTA-HXUWFJFHSA-N 485.650 3.649 10 40 JHCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)OC(C)C 408601593 KRPZWJQULUGWBV-ODLFYWEKSA-N 460.577 3.981 10 40 JHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 409150373 BLFGVDJHLUTXPE-RGVLZGJSSA-N 453.520 3.937 10 40 JHCB CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C/c2cc(C)n(CCC)c2C)c(=O)[nH]c1=O 13101516 HJQJDTHLZJDGII-ZHACJKMWSA-N 467.570 3.587 10 40 JHCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OCC 15930914 CXBATTBZRQKPCH-XDHOZWIPSA-N 452.463 3.532 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18077475 KUDPOBLZUMIZMF-FDFHNCONSA-N 455.441 3.829 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 22929921 IDOUCNXSILOLNW-SANMLTNESA-N 459.642 3.631 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44885727 NLZXZTVHSYCZGL-UHFFFAOYSA-N 485.993 3.907 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408784234 POJUYUOVKDRDET-UCQKPKSFSA-N 462.546 3.771 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1Br 408875425 FNDSDQFWZVSDJW-UHFFFAOYSA-N 465.756 3.616 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409243491 WVZCSBJMSYTFGK-PXLXIMEGSA-N 462.550 3.779 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)CC2)cc1 631434 DTYGNUFYJVOXNZ-UHFFFAOYSA-N 469.538 3.598 10 40 JHCB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(O)c(O)c4)C(=O)O)c(C)c3cc2c1C 2111079 RGIHJCVIHAJYPD-IBGZPJMESA-N 479.485 3.620 10 40 JHCB biogenic CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1[C@@H](C)CC 9762583 IMGFXCKLQZCZOV-INIZCTEOSA-N 452.507 3.806 10 40 JHCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41084239 NJUGGSLOIGWCOJ-NJOZZACWSA-N 474.458 3.926 10 40 JHCB COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1I 59106206 QFPATLZKVQENGC-MDWZMJQESA-N 466.206 3.946 10 40 JHCB Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)N(C)C(=S)N(C)C2=O)c1 59140060 KQNIORIULZZGJM-UHFFFAOYSA-N 459.365 3.935 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1C 205853774 DPKFEPHMAGVMOC-DEDYPNTBSA-N 467.547 3.539 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274985 RANDLQAQXISUTK-ZEQRLZLVSA-N 494.621 3.940 10 40 JHCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408531785 LQIAIGBIVKJCAS-CYVLTUHYSA-N 454.534 3.815 10 40 JHCB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 409133002 YYKGONNRKYKZCQ-ZDLGFXPLSA-N 476.396 3.738 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 10113649 YLRCUCDHOOFCBQ-UHFFFAOYSA-N 455.624 3.946 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C)CC2)cc1 27936472 BQLDSHMTFPSPGV-CYBMUJFWSA-N 475.309 3.891 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3c(-c4ccccc4)nc4sccn34)C(=N)N21 33513507 GRKYRTJHFOPTPQ-HUMIGVHUSA-N 498.615 3.710 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(F)cc4)ncn3)CC2)cc1 49006824 RCFKYHQPEUCASR-UHFFFAOYSA-N 453.543 3.682 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC 408802506 FQUQJRHPNFADOW-NTUHNPAUSA-N 465.687 3.786 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409189812 SZERFELWTWTVIR-YBEGLDIGSA-N 496.884 3.828 10 40 JHCB CCN1C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N(CC)C1=S 637621 AEDRKCCZNKDBKY-UHFFFAOYSA-N 491.569 3.828 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(Oc3ccccc3Cl)nc12 2417739 CTMHTCOKKKECOJ-DHDCSXOGSA-N 487.946 3.734 10 40 JHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCCc1ccc(F)cc1 9704270 ZNOXCGGXCAQSAK-UHFFFAOYSA-N 465.864 3.770 10 40 JHCB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 10113574 QCLPAZQVUHKSKV-UHFFFAOYSA-N 479.602 3.807 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1[N+](=O)[O-] 16576071 VXBNDHYZAXGOLN-BQHJLIDSSA-N 453.495 3.670 10 40 JHCB COC(=O)C[C@H](c1ccccc1F)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114853 ZNSOWXOSOSMOMH-CYBMUJFWSA-N 482.416 3.822 10 40 JHCB biogenic COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C 408784767 SOFMKXYNLWAXLW-RJDQKLELSA-N 492.572 3.652 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Br 408896475 NTCWWUAHGSCPNO-UHFFFAOYSA-N 481.755 3.604 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCC(=O)O 409029773 BHFMNEMQLPJBQC-BJMVGYQFSA-N 456.323 3.660 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)S1 409077931 GISSGHJNOBVHTJ-OQLLNIDSSA-N 471.343 3.868 10 40 JHCB NC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2ccccc2O1 13040854 QOIPBKNJOWHCRL-ZHSJKAEUSA-N 468.488 3.971 10 40 JHCB CC(C)OC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34765807 SLKZRTQMZRGAAT-SXGWCWSVSA-N 493.741 3.894 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 409083482 AURHSPXZUDMVNM-LDADJPATSA-N 494.301 3.913 10 40 JHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409173667 OEEPOPBKYNITIE-SDNWHVSQSA-N 461.337 3.688 10 40 JHCB COc1ccccc1OCCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 6287814 AAOGLAHOOHYWTM-UHFFFAOYSA-N 463.559 3.718 10 40 JHCB CCCOc1ccc(N2CC[C@H](N(CCc3ccc(OC)c(OC)c3)C(=O)/C=C/C(=O)O)C2)cc1 9434806 DLWVAZAEQMIQQY-LEQVUBRHSA-N 482.577 3.783 10 40 JHCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 9806050 DFESKPRSKXVPCJ-OWXSRONMSA-N 498.608 3.841 10 40 JHCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 36683801 QOKRDAOZBQVTDJ-AREMUKBSSA-N 472.589 3.616 10 40 JHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59109588 BYULQICGBJGKQO-UHFFFAOYSA-N 481.578 3.591 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409136193 RKTFFEVTAJYIPV-NTEUORMPSA-N 464.280 3.636 10 40 JHCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)o1 409173599 MELUTFPHGZVDKN-GHRIWEEISA-N 462.483 3.573 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409215671 DGNKLEXAPBYKFQ-AWNIVKPZSA-N 465.687 3.786 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1F 409379767 ZRNCFGCEMVRPJA-CPNJWEJPSA-N 477.423 3.649 10 40 JHCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 1254087 JJQKHFCFRNSIOK-XNTDXEJSSA-N 477.361 3.782 10 40 JHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 59489897 KGBZQRCLOLZNLH-UHFFFAOYSA-N 477.517 3.671 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223654157 WYBVELRWTAFADB-DHIUTWEWSA-N 450.564 3.730 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409149065 WQHPZEAKVDCVCR-RIYZIHGNSA-N 475.364 3.914 10 40 JHCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 6136013 LZOIGYOHNUOGGK-RIYZIHGNSA-N 493.155 3.944 10 40 JHCB Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 17135492 BJKUGIAOQVBUAH-HHHXNRCGSA-N 478.662 3.903 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccccc1 408531018 GHQWCIGFEGNXRO-USODETQGSA-N 474.513 3.955 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)S1 409079233 KPWJUTGLRBNZEJ-OVCLIPMQSA-N 471.343 3.868 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1OC 409133195 PCUMKXLENTWHDB-CXUHLZMHSA-N 488.924 3.817 10 40 JHCB N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 9166658 FNHUJSWFSFOSNI-RSRMSENYSA-N 451.483 3.717 10 40 JHCB Cc1cccc(N2CCN(Cc3c(O)c(C(=O)N4CCOCC4)cc4ccccc34)CC2)c1C 23936803 ZUNRTIPGWYVHOY-UHFFFAOYSA-N 459.590 3.957 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1OC(C)=O 59198214 BWBYKWXIMLMOSF-DHDCSXOGSA-N 459.252 3.890 10 40 JHCB CC(C)n1nc(O)c2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4c(O)c(O)ccc4c3nc21 95477925 YFJSXGOSDQQEPB-UHFFFAOYSA-N 459.462 3.886 10 40 JHCB COc1ccc(-c2cc3ccc(O)c(CN4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)c3oc2=O)cc1 100655755 NWROFGNHEYATEJ-YLJYHZDGSA-N 470.525 3.955 10 40 JHCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)n1-c1ccccc1 223206628 RFICFJIWIGPSFP-DQEYMECFSA-N 461.635 3.876 10 40 JHCB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 408771804 KHNVKANLMZTNHL-MDWZMJQESA-N 452.772 3.812 10 40 JHCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 2377945 CQBNDRLFPWNOQE-ATVHPVEESA-N 460.625 3.699 10 40 JHCB Cc1cccc(-n2nnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C 12606274 WHYSZZSBBVWJFA-JOCHJYFZSA-N 480.638 3.645 10 40 JHCB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 25286362 PXAZHMQRQGGXRC-UHFFFAOYSA-N 467.503 3.706 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505443 GJXXHGXNFSVQNU-SANMLTNESA-N 454.578 3.836 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)S1 33681729 LDQHCEZHXKBDRQ-YVLHZVERSA-N 474.336 3.573 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100415230 FUSHGSHDLUSJRB-FKBYEOEOSA-N 455.441 3.829 10 40 JHCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 104124071 YKCSTRUIMLEQPE-GBWQBGJGSA-N 478.943 3.672 10 40 JHCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409048703 UQTUGXRUKFWTKE-RIYZIHGNSA-N 450.234 3.967 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)cc1OCC 409200744 IVDILAAZOHVOPB-LDADJPATSA-N 454.479 3.558 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 409213764 QTUHMZGPKTUUSC-LPYMAVHISA-N 490.491 3.551 10 40 JHCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9711813 VAXDBQKFJKNFIY-UHFFFAOYSA-N 471.608 3.520 10 40 JHCB CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)sc2c1CCCC2 408532987 NPCNZSBQMDZPQO-GHRIWEEISA-N 483.546 3.781 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2cccc(F)c2)c1 408890802 ZLQVQVCQIABXTO-SRZZPIQSSA-N 491.431 3.988 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409099083 PZJRCZSIVJKMEE-MOSHPQCFSA-N 455.511 3.646 10 40 JHCB COc1ccc2c3c(n(CCn4cnc5ccccc5c4=O)c(=O)c2c1OC)-c1ccccc1C3=O 604405869 WOVXWJSMJWUKNQ-UHFFFAOYSA-N 479.492 3.640 10 40 JHCB biogenic CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409188022 WKFJHJAMAZQMJF-CXUHLZMHSA-N 477.300 3.990 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18011206 KBFIMIHUVSWUHB-FSSWDIPSSA-N 471.440 3.529 10 40 JHCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1 409004117 OECPFSOWRWOEOT-PXLXIMEGSA-N 455.470 3.679 10 40 JHCB COC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 409144753 GKHNHALPJPRBMC-CGWJPAAUSA-N 495.420 3.957 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 408531923 HOVCGBQBIFOKHT-STZFKDTASA-N 472.453 3.589 10 40 JHCB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225036452 LTICSHDQBKYXQC-GOSISDBHSA-N 461.653 3.582 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)cc1O 9323239 PZCAPBFFWZGWJU-NTUHNPAUSA-N 461.337 3.611 10 40 JHCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1CCc1ccc(F)cc1 18137522 JRMSIISGGKEVCG-XPWALMASSA-N 469.468 3.559 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 96246897 TUZHFBKVXLMVFF-KOEQRZSOSA-N 484.556 3.593 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408873458 UIAVBAXBSUSWCN-UNOMPAQXSA-N 485.334 3.581 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409073081 XDDBEIANCQBFLL-YBFXNURJSA-N 492.871 3.989 10 40 JHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1C 8407494 MTQOFWRBHFYKHT-PTGBLXJZSA-N 488.540 3.939 10 40 JHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(Br)o2)C1=O 14133116 ZFQBDYOWEZTYMJ-UXBLZVDNSA-N 454.074 3.779 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)CC2)cc1 20060939 RTWJLHWLYYIFFT-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB COc1ccccc1N1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1 20142277 ONQWVUWIFFRGDM-NDEPHWFRSA-N 497.647 3.902 10 40 JHCB aggregator O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 33660650 BBQIQPMQMIUTJW-MOSHPQCFSA-N 492.875 3.727 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223185762 BGQRKZJDAZEEAI-FTJBHMTQSA-N 491.661 3.890 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1 408944179 TWYMSLLJKCVIRZ-DEDYPNTBSA-N 472.453 3.639 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 408950427 KCAVJZGPOKVWRH-OQLLNIDSSA-N 486.322 3.690 10 40 JHCB NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409367562 ALANVIDFNPCZPE-CHHVJCJISA-N 497.385 3.795 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)cc1 22929324 ATCDGPLMYATKEL-MHZLTWQESA-N 485.611 3.834 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100416911 JMMQRWZZOPIFOI-FDFHNCONSA-N 482.448 3.598 10 40 JHCB COc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4CCCC4=Nc4cc(C)c(C)cc43)CC2)cc1 101945599 SPHJGPVYTTZQLD-QFIPXVFZSA-N 460.578 3.880 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccccc3)C2=O)cc1Cl 9057244 XUHDGRAAVVOZKB-RGEXLXHISA-N 465.893 3.896 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 9232346 XEROZBLVGFXLEZ-RCCKNPSSSA-N 484.599 3.729 10 40 JHCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)O 15012152 TVFFUNMOKBXSRL-UHFFFAOYSA-N 488.521 3.907 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)C2=O)cc1 16194198 SAYHKQVKMWYELS-ZHZULCJRSA-N 474.444 3.858 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 35074558 QEWXCAXFSKHISX-NDENLUEZSA-N 458.470 3.854 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408865467 CMPDOORWZPCQLI-PDGQHHTCSA-N 491.431 3.988 10 40 JHCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl 8846112 YZFUUGOELLLUMV-SFHVURJKSA-N 488.993 3.650 10 40 JHCB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9544288 FSUXRNBCPNHLGR-SNVBAGLBSA-N 460.437 3.729 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 15357004 LFFLWHREPHFCHN-XMHGGMMESA-N 450.589 3.956 10 40 JHCB O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 16695012 DVMOVCSUAXFPCA-UHFFFAOYSA-N 467.410 3.876 10 40 JHCB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)n1-c1ccc2c(c1)OCO2 17226782 KOPJEWMNMDVLIA-UHFFFAOYSA-N 499.614 3.977 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 25396221 IABHPZAKLAFOJK-UHFFFAOYSA-N 463.490 3.879 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(OC)c1 26532054 MFGZKWPRLPLMPI-XDHOZWIPSA-N 467.572 3.907 10 40 JHCB N=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 4408824 CCLXMTDQLQOYHG-AZDGIXIISA-N 480.449 3.636 10 40 JHCB COc1ccc(N(CCC(N)=O)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 8706947 NKIZKRWMCYGBIP-LJQANCHMSA-N 468.604 3.878 10 40 JHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9465350 AWZQBMVVDXAQRL-WJDWOHSUSA-N 464.434 3.753 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)N(CC)CC)c12 409124032 JUVJYJWUNZCFGV-UYRXBGFRSA-N 459.637 3.920 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409252839 XXNGIAQYLIETIQ-HYARGMPZSA-N 457.534 3.891 10 40 JHCB O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc(O)c(CN3CCOCC3)c2o1 20611317 FIACVWPVEKBOGU-UHFFFAOYSA-N 484.302 3.867 10 40 JHCB biogenic COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223690049 RQCZYYHVUIDCRI-GOTSBHOMSA-N 450.564 3.730 10 40 JHCB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)s2)c1 224731662 WNHMAWCATBRJAE-UHFFFAOYSA-N 471.608 3.568 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c(OC)c1 409067258 CEQKDMICXYJIOD-OQLLNIDSSA-N 460.939 3.976 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 409347013 PHWKDGLOFHQFSH-ZHZULCJRSA-N 454.573 3.638 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 852804 LGKNDQQCIZESKD-KPKJPENVSA-N 466.085 3.584 10 40 JHCB COc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]21 101632737 BLRHRHIMIOSVQB-ZRBLBEILSA-N 467.477 3.699 10 40 JHCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123942 IPOWYZJWFKHMOX-ILOQVAKNSA-N 480.550 3.883 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223636396 TWBNWXMYGKKATD-XZOQPEGZSA-N 464.591 3.631 10 40 JHCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409049540 WFVROQZTDMLSKD-MDWZMJQESA-N 480.112 3.887 10 40 JHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 409070637 DEAHQCYAVPMJRU-RIYZIHGNSA-N 476.938 3.596 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 409249110 JNGAHIPSLQQOKV-NDENLUEZSA-N 455.492 3.677 10 40 JHCB COc1ccnc(Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)c1OC 604404154 DKLGYBSERJOYMW-UHFFFAOYSA-N 458.470 3.691 10 40 JHCB biogenic COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccc(O)cc3)C2=O)cc1 10232931 PKJHMDGFJDCGNM-HKWRFOASSA-N 456.589 3.741 10 40 JHCB O=C1[C@@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 18181113 YRZXQCGDZQBCQW-FGAOFWEESA-N 467.452 3.862 10 40 JHCB COc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 26786910 WVQJQTSYWDXXPT-UHFFFAOYSA-N 492.531 3.559 10 40 JHCB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 48367813 SBWJQNZNMGNKNQ-CVDCTZTESA-N 463.603 3.803 10 40 JHCB CCCCC(=O)Nc1ccc(S(=O)(=O)O)c(/N=N\[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 104205714 YJMLQEMPMUOIKW-LRVSTDGRSA-N 457.512 3.937 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)CC2)cc1 408554581 CKGMHBLAQYWIGS-HSZRJFAPSA-N 493.629 3.598 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408803806 AQTKJQMREARPSM-LFIBNONCSA-N 459.296 3.913 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)c1C 409104048 IHAAIMIFUQTZIX-BKQORJHRSA-N 456.520 3.787 10 40 JHCB CN(C)c1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)cc1 409345343 LJIVAIDKARDWBQ-ZHZULCJRSA-N 470.576 3.903 10 40 JHCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(N2CCOCC2)cc1 1344159 PCZPPIMASDGSPQ-UHFFFAOYSA-N 463.519 3.959 10 40 JHCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)o1 12363700 WJYNLRSGIADZCX-CPNJWEJPSA-N 462.483 3.573 10 40 JHCB COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13505321 ASCLXUJDEBWRPK-XMMPIXPASA-N 476.606 3.712 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)c2C)cc1 16455422 ZXKCBHNXDORLPY-SANMLTNESA-N 477.492 3.670 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(C)c1 102673477 QIYAGGMHLSUSOD-YTFSRNRJSA-N 451.478 3.999 10 40 JHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C2=O)c1 408893556 BDBPCFWZQCTRHF-PXLXIMEGSA-N 469.497 3.987 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 409101200 WIMINZLXNJQAKS-XKZIYDEJSA-N 473.489 3.842 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O 409371529 WYIXQMUVDRVQJM-OQLLNIDSSA-N 475.364 3.947 10 40 JHCB CCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)N(CC)C1=S 2282685 NGOMEQJYZACNRY-UHFFFAOYSA-N 481.574 3.612 10 40 JHCB CC(C)CCN1C(=O)/C(=C/N(CCN2CCOCC2)Cc2ccccc2F)SC1=S 13655895 RZBQQKXKPARPBN-SILNSSARSA-N 451.633 3.708 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1Br 13668655 SQHOUYKUQLBZIE-UHFFFAOYSA-N 480.428 3.522 10 40 JHCB CN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 13765587 UUZLQXXOXJZVSR-PFONDFGASA-N 469.382 3.642 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 16195088 MLXOMRPNSXYSNT-XGICHPGQSA-N 451.313 3.835 10 40 JHCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)o1 41083744 LFJLUKBNGVNRRI-ATNGQLTKSA-N 487.519 3.563 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3cc(C)c(C)cc3Br)C2=O)c(C)c1 100951221 HINOQQXIGAHAQC-XNTDXEJSSA-N 485.338 3.971 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C(=O)NC2=S)cc1 409104138 FABUPWFKGWNWEN-CPNJWEJPSA-N 481.574 3.534 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N/c3cc4ccccc4c(C(=O)O)c3O)cc2)[C@@H]1C 6143514 CJIQAHORJBZHAW-LHKFMBCGSA-N 470.507 3.823 10 40 JHCB CC(C)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 8777583 BSUDDZSIZRIFOD-UCQKPKSFSA-N 479.602 3.835 10 40 JHCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl 41077828 DTJHUXPCGNPJSY-WUVMMTAUSA-N 488.978 3.849 10 40 JHCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1F 100582723 ZPXFEUIGIUOARN-HKBOAZHASA-N 459.404 3.660 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 223222566 UILDFNMRGHYATL-MRXNPFEDSA-N 468.019 3.666 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)c1 408551576 NVVDONMVWMKXDX-XNTDXEJSSA-N 478.311 3.521 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c(C)c1 409128703 TXVQWXDJNNSXHI-GDNBJRDFSA-N 458.381 3.963 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@H](C)C(=O)O 409243803 UNSYAXQQUNEKQQ-QSARLWQPSA-N 479.272 3.520 10 40 JHCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1C 21786415 LNBSIFOYRQHNEV-QFIPXVFZSA-N 467.591 3.854 10 40 JHCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 28467533 UICGYMWJRHNAJH-AGARODQMSA-N 484.647 3.557 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccc(F)cc1 34878472 NRPKAWUYAZLIAH-UNOMPAQXSA-N 465.868 3.958 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@H]3C2=O)cc1 102782359 IKEAXQUWETZWMG-RTAAPDIRSA-N 495.535 3.698 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 223990710 XZMAOPQEOWSIFF-UHFFFAOYSA-N 476.599 3.612 10 40 JHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C(=O)NC1=S 409392132 LIIYTSUSJXHPTO-UDWIEESQSA-N 491.529 3.836 10 40 JHCB CCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)s1 1565524424 MFAOFYXQGHCLPE-QHCPKHFHSA-N 472.574 3.841 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 1173764 IRNCTCVXMBDKAC-WQRHYEAKSA-N 464.478 3.973 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC(C)C)nc12 2361118 YQPJRDOZYCHUDY-GRSHGNNSSA-N 494.598 3.953 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1Oc1nc(Cl)ncc1F 9720494 IFCMBLFGXXLKGP-MLPAPPSSSA-N 469.903 3.746 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4cccs4)n3)CC2)cc1 11796766 ZJDYZSSLVZXBMT-UHFFFAOYSA-N 456.593 3.747 10 40 JHCB N=C1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 41108452 IGIYPXIRHADJTL-PSPCYXPKSA-N 453.505 3.984 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 223247536 UXKOYEFYKBOMRG-UHFFFAOYSA-N 482.444 3.686 10 40 JHCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 260843409 RLUDQEPQSSYWNB-UXHICEINSA-N 473.639 3.963 10 40 JHCB CN1C(=O)C(=Cc2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C(=O)N(C)C1=S 408905326 XGTCTRASENQCMF-UHFFFAOYSA-N 460.511 3.716 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1C 409158510 XOCIYWVDWLCSEL-BKUYFWCQSA-N 496.545 3.723 10 40 JHCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 10232909 ZZAWYLGJGWENSC-BPKVKKHESA-N 476.488 3.682 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3c(C)nc4sc(-c5ccccc5)cc4c3=O)CC2)cc1 12528289 HRMXFWLSMFCRJS-UHFFFAOYSA-N 474.586 3.791 10 40 JHCB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccc3c(c2)OCO3)CC1 33012332 LJLYOFUZDPPFAW-UHFFFAOYSA-N 484.512 3.860 10 40 JHCB CC(=O)Nc1cc(/N=N/c2ccc(N(CCOC(C)=O)CCOC(C)=O)cc2)ccc1[N+](=O)[O-] 98214396 AQMBXXOAUHJZIT-OCOZRVBESA-N 471.470 3.901 10 40 JHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 225248426 RESARQSRCRDCCV-UHFFFAOYSA-N 461.653 3.969 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1C 408757725 PLBPBUPUGSFOBC-CIAFOILYSA-N 459.462 3.681 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OC 408819581 ZKYNQYAKXNLZFF-OQLLNIDSSA-N 459.296 3.831 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OC(C)C)C2=O)c(OCC)c1 409011448 HUJVKKWKAWCSRW-QGOAFFKASA-N 468.506 3.946 10 40 JHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC 409362873 SZRSEZAYBDWVKD-UYRXBGFRSA-N 486.571 3.573 10 40 JHCB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)[nH]c2ccccc12 2104409 YQSNOISSIMPZFK-RGEXLXHISA-N 474.586 3.685 10 40 JHCB biogenic COc1cccc([C@H](c2ccc(C)cc2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1O 12976641 GCQSGJLCLDRNMX-DEOSSOPVSA-N 470.566 3.944 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)N3CCOCC3)ccc21 16838327 CHIDEQUOUVOJEP-QFIPXVFZSA-N 458.400 3.635 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 23855242 AMPXTQFBWHRIMC-HHHXNRCGSA-N 458.562 3.533 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCc3ccccc3C2)cc1 36683815 DBLOZZZFMKTVFV-VWLOTQADSA-N 487.560 3.515 10 40 JHCB CCOC(=O)[C@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 108120423 GKNRONTWPLRAFU-UZXDDYOISA-N 473.529 3.886 10 40 JHCB CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 252675571 UJYHZMNWTKFCRW-HSZRJFAPSA-N 493.654 3.586 10 40 JHCB Cc1cc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 8706879 VTKMMBHVRVAFQV-UHFFFAOYSA-N 486.512 3.510 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408741508 QCCSEEMPPYKJDC-XDHOZWIPSA-N 473.441 3.849 10 40 JHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408938054 KGSCENLHUCNIJO-LFIBNONCSA-N 473.279 3.603 10 40 JHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 409017466 WWJUKKQTVJAWTL-PTGBLXJZSA-N 478.618 3.918 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409063369 ARBWFEAQAYYVNR-FOWTUZBSSA-N 460.317 3.805 10 40 JHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409230093 BJGLGKXQBNFYHG-VGOFMYFVSA-N 466.437 3.563 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)CC2)cc1 9554209 YTFWIJWDSQCFBT-UHFFFAOYSA-N 479.602 3.624 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(C)cc1 41077820 OFGMAMJDQPTWMT-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB COC(=O)C[C@@H](c1ccc(C)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115118 ZBCATEASZARQCD-LBPRGKRZSA-N 468.414 3.584 10 40 JHCB biogenic O=C1C[C@@H](c2cccc3nccnc23)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221953 FTWAYIGGYPUCLB-ZDUSSCGKSA-N 484.420 3.667 10 40 JHCB biogenic Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@@H]21 229921646 JMVHJZVLXNTUQY-TXTKFYIRSA-N 454.548 3.541 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408535361 NTQHLRKYOUIEAI-PJGFKSAESA-N 486.524 3.964 10 40 JHCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 409015355 RQAKUZRXUYRYAY-RGVLZGJSSA-N 499.951 3.517 10 40 JHCB COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C/C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 14184311 UGIUUILCPWDSCU-OXVFXORMSA-N 494.551 3.900 10 40 JHCB O=S(=O)(O)c1cc(O)c2c(O)c(/N=N\c3cc(Cl)ccc3O)c(S(=O)(=O)O)cc2c1 17380101 KBLPVLOHGYMDQP-HNENSFHCSA-N 474.856 3.519 10 40 JHCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123938 IPOWYZJWFKHMOX-MABPWNACSA-N 480.550 3.883 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 108226767 XQGQEWOFGPXKQF-HMAPJEAMSA-N 458.474 3.701 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC 408764124 RSZWPWMGYDCFHP-DHDCSXOGSA-N 491.363 3.696 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c1C 409203811 YXYDQUZRXITEOD-KGENOOAVSA-N 456.502 3.772 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)CC2)cc1 9638675 IYKCOLIOZCAESK-UHFFFAOYSA-N 467.570 3.869 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 10232941 JSHXKHXJYFLNPG-QNGOZBTKSA-N 486.615 3.663 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 16914981 HJGQXCPSALPFFB-VWLOTQADSA-N 482.625 3.734 10 40 JHCB O=C(COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 35131184 YEXMXQSHCDLFRR-ZHZULCJRSA-N 492.329 3.928 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 408898342 LILXKUUVXGYCJU-PXLXIMEGSA-N 455.470 3.679 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c(C)c1 409260224 MXBTTWMFBMZFAV-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1 9187377 PMFCFDUUWAOEOT-MNGFJMBLSA-N 495.535 3.698 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 409077692 GLVHTBFZZLANSG-LICLKQGHSA-N 495.376 3.632 10 40 JHCB CNC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1565524352 JYCUXXWCCBXVCL-MUUNZHRXSA-N 493.567 3.787 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 8964804 ZILJQYFVSJHHBV-ZOJNDGCKSA-N 454.482 3.850 10 40 JHCB biogenic COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1O 9323221 ZSJZZEOJDPHPRZ-NTUHNPAUSA-N 461.337 3.611 10 40 JHCB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c(OC)c1OC 12388870 XRLVQOUDQJDJBE-MRXNPFEDSA-N 450.491 3.760 10 40 JHCB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CCOCC2)cc1 224549472 CFSCKWOHDNNBKP-ULJHMMPZSA-N 461.587 3.980 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc1OC 409126677 FJYSSZIHKSOMBQ-OVCLIPMQSA-N 474.897 3.514 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccn1 409234308 ZFUPBOBQBKKTDE-WOJGMQOQSA-N 465.307 3.918 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)O 9235431 HTESTHIJMTXEPC-RQZCQDPDSA-N 492.962 3.667 10 40 JHCB Oc1c(Cl)cc(Oc2cc(Cl)c(O)c(CN3CCOCC3)c2)cc1CN1CCOCC1 31628495 OSYFJLSHWOAYDF-UHFFFAOYSA-N 469.365 3.861 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59435774 HGDIUWIZWDMIBT-JXAWBTAJSA-N 452.463 3.527 10 40 JHCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 102611825 DCTLBZAGFTUKRX-GTVARFKMSA-N 466.881 3.502 10 40 JHCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1ccc(Cl)cc1 104124066 QBYVQVCDJSUMGT-ILIWDHLYSA-N 486.941 3.919 10 40 JHCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)SC1=S 409134908 OPASJXRXMJNNMF-GTNUZRKBSA-N 457.621 3.794 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C 8397770 VIFGGFYHMDSOOJ-WOJGMQOQSA-N 451.529 3.619 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 9187080 IKEAXQUWETZWMG-XHHBKWMTSA-N 495.535 3.698 10 40 JHCB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)C(F)(F)F)[C@@H]2c2ccc(N(C)C)cc2)cc1 10078567 MUBLHLGGHQUFOB-DNVCBOLYSA-N 455.502 3.544 10 40 JHCB COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2C(C)C)cc1 12512599 KHQNUGJRKDHAQP-UHFFFAOYSA-N 481.622 3.984 10 40 JHCB Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 13674319 XOJVAVIHXHPRBZ-UHFFFAOYSA-N 450.004 3.721 10 40 JHCB COc1cccc(N(CCCC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 225713431 GSAAVBABDUFIMW-UHFFFAOYSA-N 459.612 3.548 10 40 JHCB Cc1cc(Br)c(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 408534774 RDBHWTHBAQEEEO-GXDHUFHOSA-N 471.311 3.663 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl 408917101 MOZQYDNVMVXVEU-NTUHNPAUSA-N 451.331 3.838 10 40 JHCB COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 13786215 HAVCEFVVVAUIFT-HSDIOQNSSA-N 489.962 3.991 10 40 JHCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc4nsnc4c3)c3ccco3)CC2)cc1 38598162 GGQRQHUPDBKKEQ-JOCHJYFZSA-N 463.563 3.586 10 40 JHCB O=C1C[C@H](c2cccc3nccnc23)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221954 FTWAYIGGYPUCLB-CYBMUJFWSA-N 484.420 3.667 10 40 JHCB biogenic COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@H]6[C@H]34)C[C@H]2C)cc1 100776557 HORBAYPOSKXLJO-QYTZUQJRSA-N 454.611 3.731 10 40 JHCB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229940021 RDXWPYKGQHZTDY-VIDGLSEISA-N 497.595 3.970 10 40 JHCB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(=O)c1ccccc1 408558526 JOKRXVHPSCIUTC-UHFFFAOYSA-N 495.601 3.857 10 40 JHCB CO[C@]12C[C](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 1560410029 PCIMDSGKYMLMAA-QPPBQGQZSA-N 483.386 3.869 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC 716400 OYAKITMTCANAEA-OQLLNIDSSA-N 475.364 3.996 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(OC)c1OC 2262723 INKVRZBBTOWCCZ-MHWRWJLKSA-N 464.952 3.912 10 40 JHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)Cn3cccc(C(F)(F)F)c3=O)c2C)c1 12564584 QOBXICSJRPTEDF-UHFFFAOYSA-N 490.434 3.731 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCC(N)=O 15930297 LHNNVOYGGJKNOR-LICLKQGHSA-N 458.312 3.518 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=N)N21 32961246 ZOJRIHXQQKWJSL-AJUKGGFZSA-N 462.940 4.000 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1Cl 34715310 NGHDSBSFGSQGCO-UDWIEESQSA-N 487.965 3.860 10 40 JHCB Cc1nn2c(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c(-c3ccccc3)nc2s1 41074347 PWNIQFQVHFVVQS-IQGAPNPZSA-N 470.543 3.829 10 40 JHCB Cn1c(COc2ccccc2)nnc1Sc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1[N+](=O)[O-] 59490111 IYZPDTBUXMQCHI-UHFFFAOYSA-N 496.501 3.673 10 40 JHCB C[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 253571804 PKMFCOXSWVRCGE-XECWOPBBSA-N 465.505 3.808 10 40 JHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409014953 QOGCFCADJJMTLP-LEBHLANCSA-N 473.507 3.999 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2252495 YJSDSYFAUUAGHT-QXPQOBGOSA-N 460.650 3.556 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C 8809338 LRQDKGUASBBKFA-SFQUDFHCSA-N 452.517 3.798 10 40 JHCB CCOC(=O)c1sc2ncn(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)c2c1C 8826442 QOLDWDGXPRRJPW-UHFFFAOYSA-N 493.541 3.962 10 40 JHCB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854992 AZXGETWXJYWWLC-JOCHJYFZSA-N 479.606 3.988 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59139765 ZYYRBUODEBQQJX-UHFFFAOYSA-N 489.937 3.825 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)cc1OCC 409216005 CYJMTUJNEBTSIN-SDNWHVSQSA-N 463.284 3.896 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409229078 JKNHFSXBYWTKCK-WQRHYEAKSA-N 495.875 3.838 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1Br 822703 KVXFDGYJOVOZJE-ZROIWOOFSA-N 465.145 3.739 10 40 JHCB COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O 910364 FAIHNCKZFPYEAA-ZROIWOOFSA-N 452.102 3.682 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 8872611 JQNDWBAYCSUINA-YVLHZVERSA-N 469.490 3.607 10 40 JHCB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc2c(c1)OCCO2)CO3 9411102 HJCLXLUBSFWPRY-UHFFFAOYSA-N 457.866 3.598 10 40 JHCB COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 41085171 NEXJGJZJGHYHHE-JLFKZYKSSA-N 478.578 3.784 10 40 JHCB CCCCC(=O)Nc1ccc(S(=O)(=O)O)c(/N=N\[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 104205722 YJMLQEMPMUOIKW-NVWMPKGRSA-N 457.512 3.937 10 40 JHCB CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccco1)[C@]21SC(=S)N(Cc2ccco2)C1=O 106015476 YOKBRXJEWBYJIW-GAZXMLTASA-N 497.573 3.712 10 40 JHCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 107600949 HZLSUDVAHXQISM-JCMHNJIXSA-N 487.537 3.544 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(F)cc1 223140534 LACZRODLNPDTOB-DQEYMECFSA-N 479.625 3.933 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C 408808149 FFNBIHLJBPNRQO-OQLLNIDSSA-N 459.296 3.911 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F 408937058 HQBOJSWRFLPYSI-XDHOZWIPSA-N 491.431 3.988 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)NC1=S 409064521 DBOQFTSQJDQZCX-YRNVUSSQSA-N 498.729 3.790 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1 409102110 XYPGWEPEDUMNPI-OEAKJJBVSA-N 458.518 3.943 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 409102931 WTYLTICGYCBRRF-LDADJPATSA-N 465.575 3.752 10 40 JHCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C1=O)OCO2 409230218 CMRLSHSABIWHJN-MKMNVTDBSA-N 464.421 3.664 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)c1 8819231 IUVVGMTYXJJHCT-PGMHBOJBSA-N 470.616 3.698 10 40 JHCB Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 13618608 OOSUKMUSNAOKAI-DNQDNEQQSA-N 498.674 3.865 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl 33726493 SGJNXTFQWXLMSI-LGMDPLHJSA-N 463.833 3.929 10 40 JHCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 40221154 XRGYMNOQWOEGGX-MCRQTXEHSA-N 495.582 3.876 10 40 JHCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)N=C2O)cc1 103099897 JNAFLWKAFGHILQ-JWGURIENSA-N 494.548 3.609 10 40 JHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCOCC4)cc3OC)N21 260772195 MQRUUFDXUPESPC-XARZLDAJSA-N 454.596 3.915 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)C2)cc1 260888432 ARTLEVJXMCFMRV-GMAHTHKFSA-N 469.651 3.948 10 40 JHCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2 409093991 CHKVFYCGSZDIHC-XGICHPGQSA-N 465.314 3.952 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1OC 409129231 KMVMLLXMNPJMOX-CXUHLZMHSA-N 488.924 3.904 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)SC1=S 409149174 YMGURSMLHDWEQD-SMEDBKPVSA-N 457.621 3.890 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3C)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100370134 VCSFDLJBNIZNML-XPWALMASSA-N 467.477 3.699 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccc(F)cc4)no3)CC2)cc1 57486627 LXUGIEPYPWOOLW-UHFFFAOYSA-N 461.497 3.702 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(O)c1 408744226 ZDDLBWJCIPQSRL-LICLKQGHSA-N 458.312 3.667 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1 33397414 AYRSIKXZJAWXNV-ODLFYWEKSA-N 493.859 3.987 10 40 JHCB Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)no1 1239509 VPBLRMKQICUPKH-LCYFTJDESA-N 452.355 3.976 10 40 JHCB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 8398108 OQXSMTYVHUOXHF-SGNDLWITSA-N 497.503 3.707 10 40 JHCB C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 10113217 FCTHBVOZLLXIQT-QGZVFWFLSA-N 450.004 3.801 10 40 JHCB COc1ccc(S(=O)(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)cc1 13073215 UXLDNWIMWBUMKE-UHFFFAOYSA-N 452.532 3.807 10 40 JHCB O=C(O)c1cccc(/N=N\c2c(S(=O)(=O)O)ccc3c2C(=O)c2ccccc2C3=O)c1O 13099340 SGZIPXUJJLQYDT-FCQUAONHSA-N 452.400 3.528 10 40 JHCB in-vitro CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230416 RDXWPYKGQHZTDY-DZNDNOMISA-N 497.595 3.970 10 40 JHCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 408774488 OSFUVODJHMNZAV-OVCLIPMQSA-N 488.352 3.952 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I 408858504 PNJUQSBMXTWUJF-MHWRWJLKSA-N 490.297 3.973 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 408879351 FLLFXXFKZUNGKZ-UHFFFAOYSA-N 451.331 3.885 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 504517253 KGSVEJBVASUCGS-CDILPITASA-N 465.509 3.652 10 40 JHCB biogenic CN(C)CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 8871684 GRADMOUWJPLQKM-QINSGFPZSA-N 457.415 3.535 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1Cl 13008032 PKMDNVCAXDBHJP-QFIPXVFZSA-N 471.001 3.623 10 40 JHCB CC/C(NCCCN1CCOCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 15930720 DMCVTPAOJQUFDF-SAPNQHFASA-N 467.517 3.537 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1 20548082 PMFCFDUUWAOEOT-RGYUWNBKSA-N 495.535 3.698 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)c3ccccc3)CC2)cc1 28207082 DBSXMIPIBXLBCS-HXUWFJFHSA-N 491.613 3.798 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224570990 YMWPTYFNQJPGIX-UHFFFAOYSA-N 457.518 3.634 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 251063454 KUDPOBLZUMIZMF-BHDDXSALSA-N 455.441 3.829 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 408741897 LXPKTBHZVBPFQR-HYARGMPZSA-N 457.486 3.856 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OC(C)=O 408843591 GFHUBCPXYXEYPY-LZYBPNLTSA-N 487.306 3.666 10 40 JHCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2OC)N[C@H]1c1ccc(N(C)C)cc1 408990093 MKMWZKXDAWPXBD-QHCPKHFHSA-N 482.606 3.971 10 40 JHCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 409183876 UKHFKOGSDGKJQH-STZFKDTASA-N 496.545 3.669 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccc(O)cc4)c4ccccc34)[C@@H]21 1616044549 BWSWYZJRORBGIJ-MUUNZHRXSA-N 480.568 3.853 10 40 JHCB O=C(O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1O 28248019 IDMUKWMMPOTXOR-UHFFFAOYSA-N 455.311 3.777 10 40 JHCB Cc1cc(C(=O)[C@@H](C)OC(=O)CN(C)c2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1 40087936 DVQHHFNOFJDTIH-MRXNPFEDSA-N 458.465 3.736 10 40 JHCB COc1ccc(N2CCN(c3c(C(=O)N4CCOCC4)cnc4ccc(Cl)cc34)CC2)cc1 67288072 BDHIFWHVWVNYML-UHFFFAOYSA-N 466.969 3.696 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 245230075 LEGPEBKOBIHWOJ-UKWMHNODSA-N 493.604 3.703 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409075052 XGOQCSKIYLHAMU-ZHZULCJRSA-N 482.901 3.774 10 40 JHCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)CC1 225777313 AZMRHJHMVLZYPZ-UHFFFAOYSA-N 451.640 3.551 10 40 JHCB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(C)c1 409062132 OFKGITNXDPJBNY-JCMHNJIXSA-N 465.575 3.751 10 40 JHCB Nc1c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(S(=O)(=O)O)c2ccccc12 4362822 RDOCWOMJXOTCCF-OCOZRVBESA-N 484.519 3.675 10 40 JHCB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1 25460435 TXGWQMGTUPKTLU-UHFFFAOYSA-N 452.580 3.632 10 40 JHCB COCCN1C(=O)/C(=C(/C)c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 51347627 WENBLJGGZHCNER-UNHIOCTNSA-N 486.663 3.723 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 408810836 UXGBYYMMOHYZDQ-HYARGMPZSA-N 473.441 3.849 10 40 JHCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2)N[C@@H]1c1ccc(N(C)C)cc1 408986738 DHLLSXNYLIJVFC-JOCHJYFZSA-N 452.580 3.962 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5ccc(OC)cc5n34)CC2)cc1 928459 MGAAJALTRLULDL-UHFFFAOYSA-N 477.590 3.649 10 40 JHCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)nc1C 9295994 REUXYMTZSFSTBN-LFYBBSHMSA-N 478.324 3.926 10 40 JHCB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)c1 18242464 LXZGOUUCJJSOTB-UHFFFAOYSA-N 495.601 3.677 10 40 JHCB COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(Cl)cc3)CC2)cc1 33292964 MMQIULFUWXWMDQ-UHFFFAOYSA-N 484.025 3.874 10 40 JHCB O=C1C[C@@H](c2ccccc2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221010 ITVWHTDUBAHWBW-LBPRGKRZSA-N 450.374 3.863 10 40 JHCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1cccc(C)c1 408534969 NDORNLSADJHNBM-YSQAFCTLSA-N 474.513 3.873 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC 408771644 IKJQBFWNZIKJPV-OQLLNIDSSA-N 459.296 3.831 10 40 JHCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408910839 LJDFGUYTIQXPFE-RGVLZGJSSA-N 461.449 3.906 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCc3ccco3)nc12 1464463 NFOSUFCASINEFJ-GYXHFJGISA-N 482.587 3.588 10 40 JHCB CN(C)c1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)cc1 9382218 APNDFSQVUPPMMM-OAQYLSRUSA-N 452.536 3.709 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c([N+](=O)[O-])c1 9480650 FPDFWBUJAGGQHB-UHFFFAOYSA-N 452.423 3.734 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 19501999 LEGPEBKOBIHWOJ-TVQWTUMOSA-N 493.604 3.703 10 40 JHCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)o1 41084929 QRAPCEPHPOZRTD-HLLBZCHMSA-N 450.480 3.836 10 40 JHCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)c2c1 16841868 NAARDBSVYMANMY-UHFFFAOYSA-N 452.985 3.775 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCc3ccccc3C2)cc1 16914782 LXFIAYFMZDFTSY-VWLOTQADSA-N 453.583 3.970 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]23)cc1 101233336 NXQMARQXTKBYIX-BHIFYINESA-N 473.431 3.968 10 40 JHCB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCCC2)cc1 260903911 QYRNCZZZANBANK-UNMCSNQZSA-N 455.624 3.955 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O 408888897 CNJNQXULPDLIPE-AWNIVKPZSA-N 465.687 3.873 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409073137 PCOGTIKMXXWYCA-MOSHPQCFSA-N 455.511 3.646 10 40 JHCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)N1 409187442 QKCSYDVHCYQQSL-UHFFFAOYSA-N 480.112 3.540 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)cc1 409224940 OCKXDMREDVBJPR-HZHRSRAPSA-N 485.496 3.688 10 40 JHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCCCC3)ccc21 13008026 UKNRAVHSHIAVRJ-JOCHJYFZSA-N 490.526 3.859 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504599 YVKYIAIXKYXTFR-AREMUKBSSA-N 454.578 3.950 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccc(F)cc1 20207290 BYARUHOPCCTZKK-HRRBDRACSA-N 473.555 3.633 10 40 JHCB Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1 20207393 XBNHVTIPLSCFKN-FIUAZEGQSA-N 496.570 3.614 10 40 JHCB CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 33716856 UNIXEJRTDZMWCY-YUSFRKCESA-N 460.284 3.996 10 40 JHCB COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 41084984 NHBRCCIPYHSFLT-HTWVIFJXSA-N 491.573 3.825 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622552 PZXCZWCZCUNNPK-DHIUTWEWSA-N 481.578 3.761 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)cc1 408819094 WQLLYOZISTZYBK-MHWRWJLKSA-N 487.306 3.689 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 409222739 DJHRFSNJMFSIHZ-NBVRZTHBSA-N 460.442 3.798 10 40 JHCB COc1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 9259837 WWXSJZTWHCUVEB-UYRXBGFRSA-N 466.291 3.915 10 40 JHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCCC3)ccc21 13008019 AYQLYWPRXOZWSV-JOCHJYFZSA-N 474.527 3.980 10 40 JHCB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)cc1 16134677 ZUJDFPUCAUFWMT-UHFFFAOYSA-N 493.629 3.929 10 40 JHCB COc1ccc(Cl)cc1C(=O)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33871438 PQKNGWNGJPYGCV-PDGQHHTCSA-N 493.859 3.937 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 59485111 ADKALWBHUOQZNL-UHFFFAOYSA-N 481.755 3.604 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)C2)cc1 225526471 ARTLEVJXMCFMRV-FYYLOGMGSA-N 469.651 3.948 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1 408962703 JLBAJYOBHSUWCZ-LDADJPATSA-N 465.307 3.918 10 40 JHCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 13590096 OZJCMAAGUDGDTL-XNTDXEJSSA-N 469.407 3.852 10 40 JHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)C2=O)cc1 20286484 LJDZPXRPFKGAQK-JWGURIENSA-N 492.561 3.703 10 40 JHCB Cc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O 35855630 DZPGGQKWPDGVDA-RIEVBORMSA-N 493.610 3.881 10 40 JHCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(O)cc2O)c1 36360612 ITOACZDZMFSJQX-QHCPKHFHSA-N 480.524 3.929 10 40 JHCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414113 OXWAYTVUQVHMGL-RJGXRXQPSA-N 451.478 3.999 10 40 JHCB CCCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)SC1=S 113832769 YWPOTGPKCQWHCB-SFQUDFHCSA-N 494.572 3.982 10 40 JHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 2376291 UEYVSXWHKSHPIE-UYRXBGFRSA-N 467.572 3.907 10 40 JHCB CN(C)c1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9424718 QNJWOFJSDLMNSJ-QFIPXVFZSA-N 458.624 3.645 10 40 JHCB Cc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)sc2c1 408534994 RZXXKUFQQYTVNM-UKTHLTGXSA-N 485.363 4.563 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1F 408945157 WBVMWARFAFVJKA-XDHOZWIPSA-N 490.443 3.778 10 40 JHCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@@H]12 409295740 RKXCSNOAPSFUOK-GPRZILCHSA-N 489.484 3.676 10 40 JHCB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 409354124 YMJKFXFJPFCRJB-KGENOOAVSA-N 451.548 3.815 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 207066085 YURSPMNZEXPYQI-LFYBBSHMSA-N 462.212 3.578 10 40 JHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409011386 GIZXIDXARBQXHS-FVOVHSBVSA-N 473.507 3.999 10 40 JHCB COc1ccc(CCN2C(=O)N=C(O)/C(=C\NNc3cccc4ccccc34)C2=O)cc1OC 2375675 OWXUMRYVZHMCRW-XDJHFCHBSA-N 460.490 3.819 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1C 8722449 QVSLMIGBINXXPK-KGENOOAVSA-N 451.548 3.815 10 40 JHCB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(N2CCOCC2)cc1 9549274 VIHITNKUXPZVEI-UHFFFAOYSA-N 458.562 3.846 10 40 JHCB COc1ccc(OC)c(CC(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 9986449 YTVIOOVNNYKQPP-OAHLLOKOSA-N 473.481 3.592 10 40 JHCB Cc1ccc(-c2nc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)n(-c3ccccc3)n2)cc1 27562185 ZPZPBRMYBBFIPG-GHRIWEEISA-N 450.545 3.919 10 40 JHCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nnc(C)s1 44085927 PAHWFPGPHXBGKM-UHFFFAOYSA-N 468.402 3.850 10 40 JHCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1Cl 107491314 KVQKQJKBXNOHQY-AQTBWJFISA-N 491.887 3.730 10 40 JHCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 408851218 WLZZVICKSIFINZ-VIZOYTHASA-N 477.300 3.828 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 8834818 YIWBXRFAAPBTJM-OKSBFYSISA-N 482.635 3.701 10 40 JHCB COc1ccc(OC)c([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96222684 PAAQPNJUHRLXIX-CQSZACIVSA-N 492.436 3.741 10 40 JHCB biogenic CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 108089476 WJTKHSRQCKADNC-HMAPJEAMSA-N 458.474 3.701 10 40 JHCB Cc1ccc(C(=O)O)cc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408537288 ZVAUUSWEDAFFGC-NTEUORMPSA-N 472.295 3.651 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OC 409172765 IIDWFTZMPNWNRI-UKTHLTGXSA-N 491.363 3.696 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 409194255 IUPPIVSFCLWTCS-PYJSORCASA-N 488.407 3.878 10 40 JHCB CN(C)CC(C)(C)CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565525065 ZLIDGLFQFFXILC-MHZLTWQESA-N 487.648 3.882 10 40 JHCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)C2=O)cc1 8496715 DQWWGJWVRUUFQE-PDGQHHTCSA-N 480.860 3.635 10 40 JHCB Cc1nnc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1-c1ccccc1 8707542 WMXPAZLLGGNPOC-HSZRJFAPSA-N 465.623 3.942 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccccc1 9129339 QBENRZVJQIKOMV-SANMLTNESA-N 459.502 3.515 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 9516168 KVJJWUHGUNUFGG-UHFFFAOYSA-N 497.621 3.882 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 12589734 FXSQIQUYQSKWNP-QFIPXVFZSA-N 465.623 3.848 10 40 JHCB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 16044663 FZQKBQKXFLNTON-UHFFFAOYSA-N 483.929 3.723 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108036782 TZBXXSVATSHILQ-ZSOIEALJSA-N 479.714 3.506 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223290610 YAKMNVBRDUKVOJ-DNQXCXABSA-N 477.634 3.810 10 40 JHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)ccc21 409192522 YJAVTUJRJCIYKY-VAKHEIKFSA-N 453.907 3.772 10 40 JHCB CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 13591445 YOKBRXJEWBYJIW-VWMXVWASSA-N 497.573 3.712 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414433 FGBRPQWZPOCGTG-UYRXBGFRSA-N 453.491 3.594 10 40 JHCB CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O 27501201 YOQXRNNEYOWSFS-SXGWCWSVSA-N 493.741 3.814 10 40 JHCB CCCOc1c(I)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 32109966 SASFNIUMCDISOO-NTEUORMPSA-N 474.320 3.585 10 40 JHCB CCCCN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 33436266 QSOCMWYILJCGOW-YHZJOHHESA-N 458.609 3.595 10 40 JHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102843864 BJJVWVVNARMKBX-DNVJHFABSA-N 458.474 3.712 10 40 JHCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223142609 CQMACFKSPZQZOU-CLJLJLNGSA-N 491.661 3.802 10 40 JHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622195 UIRODVWLBVZMKJ-PKTZIBPZSA-N 464.591 3.851 10 40 JHCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260743647 OEYPKOFUTMOWJB-NRFANRHFSA-N 499.677 3.965 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Cl)c1OC 409098477 QAPZOPAHDNJJPZ-RIYZIHGNSA-N 476.938 3.596 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@H]1CCCO1 409194355 KSPXYCGKTJCTNN-HDAJJNEKSA-N 472.339 3.713 10 40 JHCB O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 9507278 LJFVQARCGWBPNU-DEOSSOPVSA-N 474.473 3.931 10 40 JHCB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19820332 PYUPHQSPIAPUHZ-GOTSBHOMSA-N 457.486 3.763 10 40 JHCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2I)C(=O)NC1=S 408550394 GWNNSZKZTFFUAA-SDNWHVSQSA-N 462.312 3.685 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S 409147850 WEQAHLBPOAPIRR-ZHZULCJRSA-N 457.621 3.892 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409212951 SNINKBBLJRKVJB-PXLXIMEGSA-N 456.502 3.718 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 3328552 VQFUJSHORZRXRV-MHZLTWQESA-N 471.513 3.789 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)cc1O 12629335 TYYSELYEKIZEQM-NTUHNPAUSA-N 461.337 3.611 10 40 JHCB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)c1 13649045 FSZOMGHIGSCRCV-UHFFFAOYSA-N 479.602 3.871 10 40 JHCB COc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 17838057 ZZTCOTPBMLVNSE-SGNDLWITSA-N 481.504 3.694 10 40 JHCB COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc([N+](=O)[O-])c1O 36617134 AJEJBTPOGGYYCO-BOPFTXTBSA-N 498.542 3.513 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9471113 XLPKABMTOSMYDO-NRFANRHFSA-N 459.502 3.559 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)c3ccccc3)CC2)cc1 28207080 DBSXMIPIBXLBCS-FQEVSTJZSA-N 491.613 3.798 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC(F)F)cc3)C2=O)cc1OC 33340388 OJSGYDIVARITHM-MHWRWJLKSA-N 466.487 3.851 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C(C)=O)cc4)ncn3)CC2)cc1 49006816 HXLSJHZXAUQSQN-UHFFFAOYSA-N 477.590 3.745 10 40 JHCB CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2)s1 100161674 HDKHUSGIFSBYMS-AQTBWJFISA-N 468.564 3.620 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408939066 LPHDHIHYDSWTLC-DEDYPNTBSA-N 461.405 3.979 10 40 JHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1C 8952242 VRBBKZNKSGBIKV-RCCKNPSSSA-N 474.513 3.931 10 40 JHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCC3)ccc21 8964118 QBUPXMACTMKUGW-NRFANRHFSA-N 460.500 3.590 10 40 JHCB C[C@@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 16805870 RPWGAUKTVTUSFG-OMJMQIJPSA-N 487.006 3.542 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 38487583 ULCIRMFRHZNHSG-UHFFFAOYSA-N 493.557 3.798 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 54360659 FILFIKISDKLIBH-YVLHZVERSA-N 460.508 3.850 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(F)cc1 408810610 JGQSVXGGXILVHW-RGVLZGJSSA-N 491.431 3.988 10 40 JHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408915492 WGANIUUJELMHSK-CIAFOILYSA-N 461.405 3.979 10 40 JHCB COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)cc1 409378606 QOSJDMDEIGEXDQ-JCMHNJIXSA-N 487.537 3.544 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OCc1cccc2ccccc12 9234142 PSNLREBZRKEOFI-UHFFFAOYSA-N 481.302 3.939 10 40 JHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 9236235 IHPFCJFZGQJUBT-PTGBLXJZSA-N 474.513 3.631 10 40 JHCB Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 9272009 ADHSLZCRKXTXIJ-DTAVHLBKSA-N 496.614 3.611 10 40 JHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 100147527 WZJYOIGVPJSODG-YBEGLDIGSA-N 475.844 3.988 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc2c(c1)OCO2 223272938 KMQHURVJKFHLCZ-BJKOFHAPSA-N 463.607 3.752 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 225358075 HLBBZEYVNQUIOG-UHFFFAOYSA-N 457.640 3.699 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Br)C(=O)N1 408893215 GBLRYUIRJJASNE-UHFFFAOYSA-N 480.112 3.540 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 409022761 RYSLFGDIIYLWFA-UNOMPAQXSA-N 481.501 3.766 10 40 JHCB CN(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 9452255 ICQZGNYXTMVEGX-SFHVURJKSA-N 471.406 3.654 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9586393 PYSHLMXQMIAVLK-HSZRJFAPSA-N 498.539 3.692 10 40 JHCB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 12311610 FRRZENJDJIDXLT-UHFFFAOYSA-N 463.873 3.597 10 40 JHCB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)c(=O)[nH]c1=O 12522956 BCTXHUCYTOUHEB-UHFFFAOYSA-N 451.571 3.629 10 40 JHCB Cc1cc(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12561208 PCXFQVXDMVSROQ-HSZRJFAPSA-N 495.601 3.533 10 40 JHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=S 59140067 UCVLFWAJZIUILG-UHFFFAOYSA-N 490.335 3.535 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 229961818 DBICFSMPMVVPEJ-MUCKBHKGSA-N 491.588 3.507 10 40 JHCB COc1cc(N2N=C(C)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1Cl 408533772 PCESRLHLUARKKF-AQTBWJFISA-N 451.914 3.865 10 40 JHCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 408857851 QESAEXQLZWBKFG-DEDYPNTBSA-N 477.517 3.990 10 40 JHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)c1 409202530 QZEKLEFUNPNEDO-HYARGMPZSA-N 472.570 3.937 10 40 JHCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 658249 ZSPFUESJOJMJKE-ZHZULCJRSA-N 496.516 3.774 10 40 JHCB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4256364 MKZBNSHMEWBLBJ-UHFFFAOYSA-N 462.527 3.745 10 40 JHCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 8800271 OZAGUENMHJPOHR-VWLOTQADSA-N 484.666 3.841 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 9259414 MVVALGSPKWKKGE-OQLLNIDSSA-N 475.364 3.996 10 40 JHCB C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N(C)c1ccccc1 9834410 BIOKDDUEKGHHFO-AWEZNQCLSA-N 458.426 3.579 10 40 JHCB CCOc1ccc(NC(=O)[C@@H](/N=N/c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)C(C)=O)cc1 104124104 PIKIFWJDHRSERU-CUDYFHFOSA-N 496.549 3.665 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O[C@@H](C)CC 408904293 HOSRNINOESSQSY-NSHDSACASA-N 455.374 3.624 10 40 JHCB CCN1C(=O)C(=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)N(CC)C1=S 409202477 QZUDMDVULGTLGH-UHFFFAOYSA-N 469.519 3.561 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1 409269988 NEMXKFVJQWUEOR-XQNSMLJCSA-N 485.496 3.769 10 40 JHCB CCOc1cc(Br)c(Br)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1O 2076658 CHFHYYRRCCCICH-OQFOIZHKSA-N 497.186 3.602 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(COc4cccc5cccnc45)o3)CC2)cc1 4092056 UPBVMCDMJUIITR-UHFFFAOYSA-N 491.573 3.646 10 40 JHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 8766258 WMOVYVHZUVLVEI-ZHZULCJRSA-N 492.626 3.887 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 27530603 LGUIGJPFKVNFOD-XDHOZWIPSA-N 458.561 3.942 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc([N+](=O)[O-])cc1Cl 98002886 CXKOUTJVVACVEX-IUXPMGMMSA-N 491.934 3.608 10 40 JHCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408850485 OBHJCCBVDQFEOB-LICLKQGHSA-N 461.386 3.558 10 40 JHCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)c(C(=O)O)c1 1760704 MVAJHXNWTWGXAG-CXUHLZMHSA-N 462.936 3.974 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 4209067 PGQHQMBOYRPTCV-OVCLIPMQSA-N 459.296 3.750 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 9265176 GMLIEKHODFZISX-PDGQHHTCSA-N 468.332 3.777 10 40 JHCB COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 9468412 FWMDVSZYMZGKPI-UHFFFAOYSA-N 488.588 3.855 10 40 JHCB CC(=O)N1c2cc(/N=N/Nc3ccc4c(c3)NC(=O)C[C@@H](C)N4C(C)=O)ccc2NC(=O)C[C@@H]1C 36489956 NWOLDKRVJJVOTB-KGLIPLIRSA-N 477.525 3.965 10 40 JHCB Cc1ccc(CN2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 408733725 OZOXDXXABGVRCM-ZRBLBEILSA-N 451.478 3.686 10 40 JHCB CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 11866672 PVCQZADJURCLDI-MOSHPQCFSA-N 486.615 3.962 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(OC)c1OC 13751092 INKVRZBBTOWCCZ-YBEGLDIGSA-N 464.952 3.912 10 40 JHCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 27530467 GWKUCQJBCPKYEM-BUHHDHKDSA-N 454.529 3.877 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(=O)O 223618794 BEIZUQXILSGOGP-FCHUYYIVSA-N 450.564 3.542 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)C(C(=O)OC)=C2C)cc1 409018141 SHIDHNSDRUKAFI-ZHZULCJRSA-N 451.475 3.758 10 40 JHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1 409083515 BFYABUSHMIGEPG-IYSPOMMRSA-N 456.520 3.869 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409243698 ZPEPEBWCHBXNNH-JAIQZWGSSA-N 487.965 3.860 10 40 JHCB COc1ccc(N[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1 9745482 MPOOXOUZTYBMDP-IBGZPJMESA-N 497.617 3.807 10 40 JHCB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)CC1 10913268 MMJWXPJURBCIFZ-DEOSSOPVSA-N 452.576 3.813 10 40 JHCB CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 14269021 OMTLOIBDRWULND-UHFFFAOYSA-N 472.567 3.619 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc(Br)c1O 16688235 RGSZJEULJXLMPH-MLPAPPSSSA-N 476.239 3.968 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C(=O)O)cc1 223619259 KCCUZGHLHXHFAP-VXKWHMMOSA-N 450.564 3.542 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223707603 ZCACPYZRLDFJLY-ZEQRLZLVSA-N 492.601 3.811 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OCC 409195255 SSRQUTCPJCXPJY-CPNJWEJPSA-N 482.533 3.943 10 40 JHCB Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 409267203 MJQHXAXZIJRHLX-QNGOZBTKSA-N 471.538 3.844 10 40 JHCB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N12 20519221 XDKHIYMTLYWMNU-HCNNPVLLSA-N 493.522 3.917 10 40 JHCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 23858096 QFFRRHGBBUXXEA-QFIPXVFZSA-N 471.001 3.623 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc(Br)c1O 409020764 SYEUSIKAMHARJO-WJDWOHSUSA-N 489.322 3.579 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1 409098310 OHUSHQSRAFPXGZ-OEAKJJBVSA-N 486.528 3.721 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409138036 ZAAFEGRVDDMMRC-BEWREHSGSA-N 457.621 3.720 10 40 JHCB CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135539 GOZTWJTXFZKUJD-HSZRJFAPSA-N 452.624 3.683 10 40 JHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cc([N+](=O)[O-])ccc1Cl 9562052 DKNQEQXREHYIID-UHFFFAOYSA-N 464.817 3.819 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3cccs3)CC2)cc1 13505277 MXFXGYMUQCBHQV-HSZRJFAPSA-N 464.570 3.842 10 40 JHCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)C2=O)c1 408537522 VXIGPKHYODJYRU-FYJGNVAPSA-N 486.480 3.898 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408583577 INHAHRUATDAUCC-ATVHPVEESA-N 469.490 3.607 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1I 409135944 WTBSWLXIJLAEAF-NTEUORMPSA-N 492.338 3.748 10 40 JHCB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 1480748 VPLBNWSVPNMYSO-BDBXIWDTSA-N 494.642 3.896 10 40 JHCB O=C(O)CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2288731 QLQUIBKJMFTJLG-FBKCMUNRSA-N 476.488 3.764 10 40 JHCB CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 12694890 JBOMGXFIXDYMRM-HXUWFJFHSA-N 455.605 3.632 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(c2ccc(OC)cc2)CC1 13504199 FMNNMEBESDJUAZ-QHCPKHFHSA-N 480.613 3.756 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cn1 40069529 SXRZROCONHJVAQ-ZSOIEALJSA-N 464.366 3.693 10 40 JHCB C/C(NCCCN1CCOCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100095562 ZVIJYAGMGDVWHU-RELWKKBWSA-N 461.591 3.633 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 100323955 YJZXZFLLIGBEGX-RJGXRXQPSA-N 451.478 3.686 10 40 JHCB O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 408890577 VWSGTJRWMQEIJS-ZROIWOOFSA-N 456.364 3.706 10 40 JHCB CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408901564 YVLKUQJMICLYCE-YBEGLDIGSA-N 459.296 3.831 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409071566 KFKUXJWRVJAQTL-BKUYFWCQSA-N 487.424 3.538 10 40 JHCB CCOC(=O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 1238542 WPAKEEAAPLTMFE-VXPUYCOJSA-N 452.557 3.676 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(OC)c1 8800235 YXJFZAKYADFOJZ-HSZRJFAPSA-N 473.639 3.592 10 40 JHCB O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(F)cc1 9447650 DXSRGCQCCJDVEK-HXFQDRMMSA-N 499.498 3.529 10 40 JHCB COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)ccc1O 96115038 YRMLNHXDZAJKMI-CYBMUJFWSA-N 462.410 3.732 10 40 JHCB biogenic COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408857039 MLWUYBDNJDXDJJ-UXBLZVDNSA-N 482.301 3.750 10 40 JHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)[C@@H](c2ccccc2OC)C1 585261952 LAEUTZPZSBQDCZ-HSZRJFAPSA-N 451.567 3.740 10 40 JHCB COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 2430250 XWEKJOZYUDRDAT-SILNSSARSA-N 492.626 3.747 10 40 JHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 8821649 UBCQPFJCTLRBKO-IBPBOOLHSA-N 455.355 3.616 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)o2)c(C)c1 9260349 XLZLOGDKCQSKLN-MOSHPQCFSA-N 476.510 3.882 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1 205909546 NACHGRXGNSPKCY-DEDYPNTBSA-N 467.547 3.539 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OC 408871294 ZBNUMHDHMVNGIP-WQLSENKSSA-N 463.259 3.662 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1I 408904947 QWSDPNAKMZWPKW-XNTDXEJSSA-N 492.338 3.830 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 8916077 PHOCGORFPWVEBF-NTCRLEKGSA-N 484.559 3.882 10 40 JHCB COc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc(OC)c1OC 10719698 APSBMPGOZWVLHW-UHFFFAOYSA-N 481.501 3.817 10 40 JHCB O=C(O)CN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034301 FKPSIIZPUKICTL-PXNMLYILSA-N 480.926 3.782 10 40 JHCB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 16914710 NJKDDYMMJHAWQN-XMMPIXPASA-N 483.609 3.978 10 40 JHCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1 20207445 WIBRJRKCNFPFKO-OOEDSJJISA-N 469.592 3.802 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c2C)cc1 40158986 FBPQSDSKNNQHGH-YKSBVNFPSA-N 456.564 3.673 10 40 JHCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(O)cc1O 408722729 MSZQDVPOKSRGAV-YCRREMRBSA-N 488.146 3.998 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)CC2)cc1 408920845 PHAABDWDIHFRMF-UHFFFAOYSA-N 484.644 3.975 10 40 JHCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C 409190443 NMDCOLHRFUWWSG-DEDYPNTBSA-N 459.527 3.932 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2=O)cc1 409263024 LEWLVSOQSXTKQS-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9645843 VXIDNFQUJHHYTD-UHFFFAOYSA-N 472.588 3.721 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O 13590102 VHHDCILMCSUBKJ-UYRXBGFRSA-N 467.572 3.995 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)(C)C 33667297 LUUZBWVHHFALFH-GDNBJRDFSA-N 492.313 3.939 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 39222323 DDWQZXLZLRJPAX-AWEZNQCLSA-N 473.323 3.994 10 40 JHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 59417341 KTSPWETZJHBKSL-NTEUORMPSA-N 480.112 3.887 10 40 JHCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCOCC4)cc3OC)N21 222680131 MQRUUFDXUPESPC-IRBZQWRBSA-N 454.596 3.915 10 40 JHCB CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 252675572 UJYHZMNWTKFCRW-QHCPKHFHSA-N 493.654 3.586 10 40 JHCB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccco1 408531935 HPBYAPJAXGGHIY-OAKMDSIYSA-N 499.317 3.912 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 409013506 NNOOHNHFDJOEOO-UDWIEESQSA-N 461.543 3.653 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)cc1Cl 409229844 VNDOQGWPLZIOKZ-WUXMJOGZSA-N 451.729 3.948 10 40 JHCB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)CC1 409273722 RSHSPYPMBAQMOZ-YBFXNURJSA-N 498.513 3.638 10 40 JHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 8935165 MQLNRKNJBFSQJU-NDENLUEZSA-N 456.889 3.999 10 40 JHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1F 9138325 ZSSIDVQBEXWMOW-DEOSSOPVSA-N 452.574 3.798 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)cc1 9260332 GXJCWQGXKHNKTN-BKUYFWCQSA-N 475.526 3.632 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 408902787 LGQGYNHRDNLWOG-KGENOOAVSA-N 473.460 3.818 10 40 JHCB CN1CCN(Cc2ccc(N3CCOCC3)cc2)CCOc2ccccc2Oc2ncccc2C1=O 643570101 KDDNPPYLEFXRBB-UHFFFAOYSA-N 488.588 3.677 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 8820514 JSGJAAAJKLTZOD-FDIDRWKOSA-N 473.620 3.525 10 40 JHCB COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1OC 9369195 PKCBTWPQXHUOMV-FQEVSTJZSA-N 450.378 3.637 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCc3ccccc3C2)cc1 36683832 KDMNFWQZHLHDBH-RUZDIDTESA-N 487.560 3.515 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C(=O)NC2=S)c1 408740856 IRRIYSIOPIZWBE-NVNXTCNLSA-N 491.363 3.696 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 408950460 FERPMLFCPRIMRR-CJLVFECKSA-N 460.559 3.773 10 40 JHCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 409130852 NSYZZIRHYMSXNO-RGVLZGJSSA-N 489.981 3.651 10 40 JHCB COc1ccc(N2C(=O)[C@@H]([C@H]3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1 8828435 MXWDLZYSBSYEHY-HZPDHXFCSA-N 476.626 3.871 10 40 JHCB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 10113655 SDDGWBRKRRCYLW-UHFFFAOYSA-N 471.623 3.646 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 14273723 ZTYDXPPTKYKZIZ-UHFFFAOYSA-N 499.376 3.756 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273759 ALCSJVLULWYCOH-ZEQRLZLVSA-N 494.621 3.940 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223673131 OBYNUSROOTZQMY-GOTSBHOMSA-N 450.564 3.725 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 409022589 BTHUXBOTZCKIOC-PDGQHHTCSA-N 466.446 3.657 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 8780962 AYWFPYJUJLIDPQ-BKUYFWCQSA-N 486.480 3.947 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nncn2-c2ccccc2)cc1 12633108 AABGDSHWHCADHA-JOCHJYFZSA-N 451.596 3.633 10 40 JHCB O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 34909929 OUGUERWUCGTHGK-UNOMPAQXSA-N 492.875 3.727 10 40 JHCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 35201215 JWYZXEFTLHJFEV-RERGGYADSA-N 462.287 3.930 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)c1 409105981 KIKZHVPGCOUVLT-UZUMKDMXSA-N 456.520 3.869 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)cc1 409205785 KAXIVRJSJQEKGC-DZSVRRGNSA-N 453.564 3.514 10 40 JHCB Cc1cc(C)nc(SCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 9635508 QRBDJAIWBPFBGL-UHFFFAOYSA-N 467.547 3.790 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C(=O)NC1=S 409175481 ZODOBMOGDZDVBK-CPNJWEJPSA-N 475.526 3.632 10 40 JHCB O=C(COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1 409255413 HUXWEAXBSFCMNB-HKWRFOASSA-N 457.511 3.535 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(F)c1 9378905 UYMBRZFTFMPZKQ-VWLOTQADSA-N 463.465 3.612 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)c2C)cc1C 12557790 DHMZUCAGEATZOB-NRFANRHFSA-N 495.649 3.874 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(I)o1 408766817 SHAKUAGMCIYQGO-RMKNXTFCSA-N 477.041 3.857 10 40 JHCB CCOc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)c1 408875199 HCTBDNDYSCWISI-BOPFTXTBSA-N 490.297 3.919 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409068104 SSFIFLRABZNHAK-ZHZULCJRSA-N 482.901 3.774 10 40 JHCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1F 9057539 ZPXFEUIGIUOARN-QHAWAJNXSA-N 459.404 3.660 10 40 JHCB COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 62566388 FWRFHTJJKWPVHG-FMQWLBJXSA-N 477.483 3.676 10 40 JHCB COc1cccc(-c2cc3ccc(O)c(CN4C[C@@H]5C[C@@H](C4)c4cccc(=O)n4C5)c3oc2=O)c1 103505690 YHKCDUGPWBMDFQ-PXNSSMCTSA-N 470.525 3.955 10 40 JHCB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 409163804 YAJNOPYAHOUGHW-DEDYPNTBSA-N 469.588 3.920 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409173239 OBUXMMGPEKKARR-UKTHLTGXSA-N 491.363 3.696 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1 9187374 PMFCFDUUWAOEOT-XHHBKWMTSA-N 495.535 3.698 10 40 JHCB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O 12738566 RJIHGWHSZMCSLI-LGMDPLHJSA-N 471.442 3.771 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 15013429 VUGDGYOGRWXFKJ-WJDWOHSUSA-N 458.287 3.855 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)c2C)cc1 16165647 OSAQZRNUQZSJID-UHFFFAOYSA-N 483.590 3.565 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N21 20239054 DJKFKFWZMFYFGJ-CLFJUMGRSA-N 478.577 3.812 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 59248613 KQZJTTCFZSLEKU-XNTDXEJSSA-N 460.353 3.782 10 40 JHCB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221027 IUMKGBMLEODNNZ-INIZCTEOSA-N 476.437 3.970 10 40 JHCB biogenic O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422771 AKFDVKGADSFHIW-QGMBQPNBSA-N 472.588 3.599 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223693045 DIVRUXUNCAFCAF-DNQXCXABSA-N 478.574 3.753 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 225186861 KPZLFOJHHBCZGA-SANMLTNESA-N 493.629 3.947 10 40 JHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O 408837151 ZGUBBQUVDFTTHK-OQLLNIDSSA-N 474.897 3.821 10 40 JHCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)NC1=S 408911634 AMFADXVMGRMDHD-NTEUORMPSA-N 465.756 3.938 10 40 JHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1 8870091 YPCFGHIVBCIUKX-JLDPKJTDSA-N 493.610 3.880 10 40 JHCB O=C(NCCc1ccccc1)C(=Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccccc1 12311562 RQTHVQMIQGNZIJ-UHFFFAOYSA-N 483.612 3.624 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408692507 OBQYKWOWLCUEJP-XDHOZWIPSA-N 465.462 3.587 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)c(OC)c1 409087854 KIWSOYJLYHQEKX-SFQUDFHCSA-N 469.538 3.665 10 40 JHCB CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 15230918 IGIPRIFDZBDJTD-LDCOFTPGSA-N 497.809 3.574 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC 20287747 BRZWTQKROILPHE-MOSHPQCFSA-N 466.519 3.965 10 40 JHCB CC(C)(C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33737689 CHTPHKOBKZNNIS-ZROIWOOFSA-N 460.284 3.996 10 40 JHCB COc1ccc(N2CCN(C(=O)/C=C/c3cc(Br)ccc3OC)CC2)c([N+](=O)[O-])c1 34828898 QAPKAVOIDAMYHN-FPYGCLRLSA-N 476.327 3.737 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 44880244 DYBGRQKHKKACGH-UHFFFAOYSA-N 476.042 3.798 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 112296154 NOHLTNFINYQOEA-STZFKDTASA-N 450.520 3.634 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408538242 ZMUIQWSDDZDRKX-KGENOOAVSA-N 486.480 3.898 10 40 JHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 408897911 JOHNYPHHWMJGQR-RIYZIHGNSA-N 465.687 3.873 10 40 JHCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)sc(C)c1C 409198489 BGGIXYRYYLNCDZ-WQRHYEAKSA-N 469.563 3.963 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409235728 QBIMXGBRVYEISB-XKZIYDEJSA-N 481.574 3.824 10 40 JHCB CN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=S 6287816 FAVBFTURHRYYBT-UHFFFAOYSA-N 453.951 3.972 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCCC3)ccc21 9138306 LQJZBDBDELUALX-QHCPKHFHSA-N 456.537 3.629 10 40 JHCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1OC 9424089 PNVQLAJOFPYJLS-JCMHNJIXSA-N 491.519 3.955 10 40 JHCB CCCn1c(Cl)c([C@@H]2NCCc3cc(O)c(O)cc32)s/c1=N\S(=O)(=O)c1cccs1 19691546 MTZWMKDEQMPILI-BWORXHKJSA-N 486.040 3.610 10 40 JHCB COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1O 96114261 LLTQUKCCEHHCEL-ZDUSSCGKSA-N 492.436 3.741 10 40 JHCB biogenic C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)C1 225490975 HMNQPCBZXPUGNT-LJQANCHMSA-N 473.614 3.779 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c2C)cc1 9127174 SWUBUAIYBMYJJH-UHFFFAOYSA-N 451.523 3.660 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 10435248 FWXYZIZMNNGXQL-VUVCFOEZSA-N 489.527 3.643 10 40 JHCB COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 13758753 GPSBPCRAJCYULB-HJOGWXRNSA-N 488.500 3.721 10 40 JHCB CC(C)c1ccc(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)cc1 20024834 OYYHREFCWNCUHI-XQNSMLJCSA-N 462.619 3.696 10 40 JHCB Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)ccc1Br 49004054 PRHRDSCPSWOBDP-UHFFFAOYSA-N 481.343 3.522 10 40 JHCB C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 54360714 JTRUJOMLIVIEGJ-SYEOYNTFSA-N 462.936 3.972 10 40 JHCB CCN1/C(=c2/s/c(=C3\SC(=S)N(c4ccccc4)C3=O)n(CC)c2=O)Sc2ccccc21 100500064 QNGNLFHZCMGIGD-SVJWQLCWSA-N 497.692 3.801 10 40 JHCB COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)c2c1 10434562 MWODONYMLRWCGM-RGVLZGJSSA-N 451.573 3.737 10 40 JHCB O=C([C@@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)c2ccccc2O1)N1CCCCC1 14135612 BFPVAPVCNLIBCA-SGWGQVFISA-N 450.926 3.808 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCc3ccccc3C2)cc1 36683829 GGCMBHFGCQZDPB-VWLOTQADSA-N 487.560 3.515 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 59250206 JDQIVAGNMWZOBN-NTUHNPAUSA-N 493.697 3.541 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223290922 FFLRCYAIHCCGLW-RPWUZVMVSA-N 477.634 3.810 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc2c(c1)OCO2 223621084 MWDFPXSVPVATGS-GOTSBHOMSA-N 450.564 3.573 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408533290 JUMJCRWYSXCXAT-CYVLTUHYSA-N 472.453 3.589 10 40 JHCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 408771602 ICRKBZKJKASGOL-OVCLIPMQSA-N 472.284 3.788 10 40 JHCB O=C(COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 409218381 IMTHWGOTCQREBZ-UHFFFAOYSA-N 484.748 3.579 10 40 JHCB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1C 12563910 BVYAJVQLDOAFET-HXUWFJFHSA-N 469.611 3.749 10 40 JHCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3CCc3ccc(OC)c(OC)c3)CC2)cc1 13505583 YWGFQXIXBSMBAH-DEOSSOPVSA-N 494.640 3.851 10 40 JHCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(S(N)(=O)=O)cc2)cc1 20289151 NGGWIZMPZLMMDF-JCMHNJIXSA-N 480.521 3.619 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 41084236 VYNATAHUIABXQJ-GLGSTRKCSA-N 457.471 3.796 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(=O)O)c1 223618958 OJQIOCYQMVKTRO-YADHBBJMSA-N 450.564 3.542 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC 408786163 FZOMTUPDQHGIDT-NTEUORMPSA-N 474.897 3.821 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 409256212 KHFYGWYSPVVILD-STZFKDTASA-N 485.496 3.693 10 40 JHCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224713193 NIFAJRCFVYRVTF-NRFANRHFSA-N 476.599 3.610 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408767302 FPHOANFFVBSRSG-UYRXBGFRSA-N 452.463 3.527 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccncc1 408967115 SIOSJGGEZFZLCZ-XDHOZWIPSA-N 465.307 3.918 10 40 JHCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O)=C\c1ccccc1 8820676 GWKUCQJBCPKYEM-LDFNIPPCSA-N 454.529 3.877 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C 13941925 XONIRRFANCEIMU-UHFFFAOYSA-N 458.898 3.549 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 28332498 VQMMYMJOKUKMTK-LJQANCHMSA-N 462.015 3.657 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223654748 XGGNQWGGJUQALB-GOTSBHOMSA-N 478.574 3.723 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl 408886287 FWFVBKCUPPBHGZ-UHFFFAOYSA-N 451.331 3.885 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 409018793 UXTPNIHSAPLPCM-UYRXBGFRSA-N 451.475 3.758 10 40 JHCB CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 2377834 JNCBTRUMDCPSRE-UYRXBGFRSA-N 480.615 3.887 10 40 JHCB COCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 9361254 XTQUMPVTSKJACM-SILNSSARSA-N 494.642 3.895 10 40 JHCB Cc1ccc(-c2cnc(SCC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)n2C)cc1 12506731 GSACCFXCTFVDQH-JOCHJYFZSA-N 450.608 3.505 10 40 JHCB O=C(O)CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 15034317 NZVQRYINYNSGFS-WTKPLQERSA-N 467.160 3.593 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 17951682 QIYAGGMHLSUSOD-RJGXRXQPSA-N 451.478 3.999 10 40 JHCB biogenic Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 18181630 FOSKOAPDTTZQEB-FDFHNCONSA-N 455.441 3.829 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 209565554 URVBRNJJJHNKGS-MOSHPQCFSA-N 486.480 3.947 10 40 JHCB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1 225043022 BBANVZHLOUNMAA-UHFFFAOYSA-N 450.929 3.572 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 409333503 SMNNGDFRDFLKJR-YBEGLDIGSA-N 495.991 3.879 10 40 JHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409371642 FUSTYOIHLAEVDZ-CIAFOILYSA-N 470.441 3.853 10 40 JHCB CC(C)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2346206 UQIRXKLRSWOJEF-ZDLGFXPLSA-N 480.571 3.645 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(OC)c1 12363067 LTNABNFCRZXOEM-DHDCSXOGSA-N 461.337 3.606 10 40 JHCB O=C1/C(=C/c2ccc(O)c(I)c2)C(O)=NC(=S)N1c1ccccc1F 59136067 WTJUJERFMGAHEO-JXMROGBWSA-N 468.247 3.808 10 40 JHCB COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107569240 RGROBVOFKJPDFJ-UNOMPAQXSA-N 493.859 3.937 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(=O)O 223270204 GITIGFQDXXBHAK-PKTZIBPZSA-N 463.607 3.721 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 409064091 GCZNOPCKBZCBSP-XSFVSMFZSA-N 480.473 3.568 10 40 JHCB CC(C)N1C(=O)/C(=C/c2c(N(C)Cc3ccccc3)nc3ccccn3c2=O)SC1=S 1073922 FOEZCXVAOMAWCZ-AQTBWJFISA-N 450.589 3.941 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccccc1 20207061 RNYZICDJJZPRDD-OOEDSJJISA-N 469.592 3.742 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 22530863 AOQQGLKXQFOIFP-UHFFFAOYSA-N 455.624 3.923 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC 408800023 MWMOUMQROHLCDZ-MHWRWJLKSA-N 472.881 3.590 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C(=O)N1 409039586 CRRXREMORILQBY-UHFFFAOYSA-N 498.102 3.679 10 40 JHCB CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2253002 UMAOLLLRFPHFBM-LGMDPLHJSA-N 460.625 3.841 10 40 JHCB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@H](Cc1ccccc1)C(=O)O 8870179 IKQUWSOGZLHSCE-DSFGADRISA-N 466.584 3.646 10 40 JHCB CCCNC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc2O1 12974463 KBCONDRMBBQQFY-DEOSSOPVSA-N 467.529 3.868 10 40 JHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 13148350 BTNDLFPZGHDAJJ-UHFFFAOYSA-N 464.817 3.819 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 16734618 BQFMMMAYIZCYJD-MFUVWIPLSA-N 458.609 3.594 10 40 JHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 20189488 JAFDXWVQNKUNSI-VJBWXMMDSA-N 457.486 3.502 10 40 JHCB COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2OC)c1 33457819 HCWRXKMVWLUDMX-JERZPRFUSA-N 466.519 3.801 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 100414048 FOSKOAPDTTZQEB-BHIFYINESA-N 455.441 3.829 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409073277 GREXLSJAHCXYHI-MTJSOVHGSA-N 487.424 3.538 10 40 JHCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409392158 LQBKZRAZIXIXIC-DGGAMASNSA-N 474.311 3.696 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCc3ccccc32)cc1 10188448 VZNRAVVSRBJKJY-XMMPIXPASA-N 473.533 3.520 10 40 JHCB Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(F)cc1 13075631 FFLBJDXLCIRQGH-UHFFFAOYSA-N 458.511 3.508 10 40 JHCB O=C(c1cc2ccccc2c(CN2CCN(C/C=C/c3ccccc3)CC2)c1O)N1CCOCC1 22921533 UFUTWDSLMGWGKL-RMKNXTFCSA-N 471.601 3.849 10 40 JHCB N=C1/C(=C/c2cccn2CCCOc2ccccc2Cl)C(=O)N=C2SC(N3CCOCC3)=NN12 41084458 YUEAECVNYBCIGB-DYHPDKAYSA-N 498.996 3.519 10 40 JHCB COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c1 101130201 MTMGLTAPFJAQPJ-YTFSRNRJSA-N 467.477 3.699 10 40 JHCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)c1 408694529 JCWJBVBIEPYXDC-HYARGMPZSA-N 470.529 3.993 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1O 408940967 WAKBKDDWQULBGZ-OQLLNIDSSA-N 476.270 3.837 10 40 JHCB COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc(OC)c1OC 12436923 RRSSKBPHFGKSDU-CPNJWEJPSA-N 497.598 3.916 10 40 JHCB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 35304024 RLFNNKYDXNHKMR-CHHVJCJISA-N 494.348 3.903 10 40 JHCB COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59136445 CXSBTCOFTFZKKA-UKTHLTGXSA-N 493.310 3.812 10 40 JHCB COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCC[C@@H](C(=O)O)C4)c(O)ccc3c2=O)cc1 94993359 YTZUOLNTWPMTNW-MRXNPFEDSA-N 467.474 3.683 10 40 JHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCOCC4)cc3OC)N21 222680184 MQRUUFDXUPESPC-ZGNKEGEESA-N 454.596 3.915 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Br 408760470 ZBSSMPGIYQJJHW-KPKJPENVSA-N 464.659 3.986 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 409231280 IZDAGMCHQZEYTI-WSDLNYQXSA-N 486.528 3.917 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@@H](C)C(=O)O 409253552 ZOXVGWVIRJUHQH-XNFYSYIQSA-N 479.272 3.520 10 40 JHCB COc1ccccc1N1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2cccs2)CC1 13505301 AHMLGLXBKOUZCZ-VWLOTQADSA-N 489.649 3.769 10 40 JHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1 18183420 BJJVWVVNARMKBX-ZLNRFVROSA-N 458.474 3.712 10 40 JHCB O=C(c1ccccc1)[C@@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12 20410449 PFNVEKFZIFJNBO-SNUWEPMUSA-N 462.505 3.672 10 40 JHCB biogenic O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2c(c1)OCO2 27530504 WJXTZICLZSQARG-DJKKODMXSA-N 470.528 3.764 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(F)cc1 223140480 LACZRODLNPDTOB-LOSJGSFVSA-N 479.625 3.933 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)cc3)C(=O)c3ccccc3C2=O)c1 251063446 KUDPOBLZUMIZMF-BDTNDASRSA-N 455.441 3.829 10 40 JHCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@H]12 409295746 RKXCSNOAPSFUOK-KBVGNCHSSA-N 489.484 3.676 10 40 JHCB O=C(O)CCCCCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 1766011 DEDVVEIHWCTVFF-BUHFOSPRSA-N 455.355 3.618 10 40 JHCB Cc1cc(C(=O)CN2C(=O)c3cccc(N)c3C2=O)c(C)n1-c1ccc(Br)cc1 2664063 VULSMHWMLDSHDE-UHFFFAOYSA-N 452.308 3.918 10 40 JHCB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=S)N1 9540678 CYTOMKXYGZVDMN-FQEVSTJZSA-N 476.524 3.974 10 40 JHCB Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 13801693 NFHIRQXILAMCRO-WQRHYEAKSA-N 491.431 3.500 10 40 JHCB NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)S2)CC1 27020498 BWEXAIGVJXKQOA-QNGOZBTKSA-N 457.559 3.707 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 169296487 LEGPEBKOBIHWOJ-MUCKBHKGSA-N 493.604 3.703 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223034044 LTUMRLRQKZGEEI-DHIUTWEWSA-N 464.591 3.895 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223653869 ORBSJBAJYXQPHR-XZOQPEGZSA-N 450.564 3.730 10 40 JHCB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 8857882 VPLBNWSVPNMYSO-HRVJUDJTSA-N 494.642 3.896 10 40 JHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCC3)ccc21 8964117 QBUPXMACTMKUGW-OAQYLSRUSA-N 460.500 3.590 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9754503 DBBFMALKBIIELM-AREMUKBSSA-N 459.502 3.515 10 40 JHCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1NS(=O)(=O)c1ccccc1 13672602 GYKWMNZGCBMFBO-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223011683 BMNNTFHYDJHDSX-FCHUYYIVSA-N 450.564 3.806 10 40 JHCB Cc1cc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1[N+](=O)[O-] 408536280 VSTGCUYMGPRYQR-NTEUORMPSA-N 473.283 3.861 10 40 JHCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1I 408918986 RKRZYVMCDGPTQN-ZROIWOOFSA-N 496.301 3.660 10 40 JHCB COc1ccc(N2CCC(O)(CN3CCC(O)(COc4ccc(C)cc4C)CC3)CC2)cc1 585281830 BRELYANUJPMJGE-UHFFFAOYSA-N 454.611 3.549 10 40 JHCB COc1ccc2c3c(n(Cc4nc(-c5cccnc5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604404708 JKPGDYHFBBTMNJ-UHFFFAOYSA-N 466.453 3.723 10 40 JHCB biogenic COc1ccc2c3c(n(CCC(=O)Nc4ccccn4)c(=O)c2c1OC)-c1ccccc1C3=O 604406058 ZRFLONDFBOXBHR-UHFFFAOYSA-N 455.470 3.654 10 40 JHCB biogenic COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)c(=O)[nH]c2c1 879846 UKVCSWLUCPKZSV-UHFFFAOYSA-N 477.542 3.935 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 8728826 TZEODYYWEDPLII-UHFFFAOYSA-N 457.527 3.506 10 40 JHCB CC(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2nc3ccccc3s2)CC1 13504320 HOEZWZHBCUXFQK-QFIPXVFZSA-N 462.627 3.841 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C2=O)cc1 409024490 UFZRCAKBWUBGSX-WSDLNYQXSA-N 486.528 3.941 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 16349648 FNUSKKPRHUFLQX-BUVRLJJBSA-N 471.561 4.000 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 224826340 UVMIKENOARDSKJ-UHFFFAOYSA-N 458.411 3.922 10 40 JHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541851 IAEFGVLWLVCLQD-XDHOZWIPSA-N 471.494 3.812 10 40 JHCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409122917 CLADIJHKAKBOAQ-NTEUORMPSA-N 480.348 3.800 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c4ccccc34)[C@@H]21 1616044690 UEKFIXRLPNJXFJ-OCQCLJPXSA-N 498.627 3.942 10 40 JHCB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12553987 ULDMISOONVEKMS-UHFFFAOYSA-N 457.578 3.927 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(O)c1 408739713 DUTVBIAOTLBYTP-GZTJUZNOSA-N 458.312 3.667 10 40 JHCB COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 62566385 FWRFHTJJKWPVHG-FLVLSHQESA-N 477.483 3.676 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc1 13940721 YNUFGUURDQNQPJ-AQTBWJFISA-N 466.485 3.529 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)cc1Cl 408990159 MZOLAPSMYGPJQD-AUWJEWJLSA-N 493.697 3.541 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 408903703 WTJQNEYYYOAASR-LICLKQGHSA-N 478.392 3.596 10 40 JHCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl 408657719 HNLBTONHIMFXTJ-ONTIZHBOSA-N 480.948 3.693 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1O 409014816 KXCJQCLIFQFCPF-AWNIVKPZSA-N 465.300 3.524 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 409202899 VEAHAKHHNUMNEJ-LPYMAVHISA-N 490.491 3.551 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 408806554 FHTDTQLHPVSLEB-KGENOOAVSA-N 473.441 3.849 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409228051 SWVJJZMADJHNTD-BKUYFWCQSA-N 481.574 3.824 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 41076308 QPRRIXKCAJBWLZ-OCBUIKJBSA-N 464.385 3.576 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc2ccccc12 20205900 KTPOAIBGUGEMOT-FZAWDKCWSA-N 477.571 3.869 10 40 JHCB CCCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 32099534 AXLDNASMIULRCD-DHDCSXOGSA-N 476.283 3.616 10 40 JHCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(N2CCCC2)cc1 225667999 PFUAPSCLLHZLJZ-UHFFFAOYSA-N 485.650 3.719 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408788408 CUOIGDIWTGKNAU-VNLJKWRZSA-N 490.556 3.628 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1 408806325 MOUVJPOAYBPQFB-MHWRWJLKSA-N 472.881 3.590 10 40 JHCB CCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 8452950 HSYQUEVQKCCVNL-MWQVBJQISA-N 454.533 3.874 10 40 JHCB NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)sc2ccccc12 8765920 YTRQRPODXBVVPI-XNTDXEJSSA-N 453.570 3.840 10 40 JHCB CCC[C@@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 9972449 PJFUKQUHHPUDEJ-NBCVKUGOSA-N 474.513 3.628 10 40 JHCB C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Cl)cn1 21123830 LTKKKLNRNIMYBU-LLVKDONJSA-N 479.832 3.603 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1 41084526 LTXLFCZPQBJLBL-OQZKWKKUSA-N 491.573 3.573 10 40 JHCB COc1ccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)cc1 67262891 MOIUGVOGYNAZHY-UHFFFAOYSA-N 474.952 3.954 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223689858 JEKQHLIMTXUOOI-GOTSBHOMSA-N 450.564 3.730 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC)C2=O)cc1 408803655 RQNKUPFTMCYXOH-SFQUDFHCSA-N 487.306 3.691 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)NC2=S)cc1 409017474 WWQMQWITZYFKDF-HYARGMPZSA-N 461.543 3.943 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccccn4)c4ccccc34)[C@@H]21 1565524463 IHXCXINWULITEV-HHHXNRCGSA-N 465.557 3.890 10 40 JHCB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 260903705 PYXAREAYAFOFTA-FQEVSTJZSA-N 485.650 3.649 10 40 JHCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 409241316 RBSSXEZORBXKHS-AZZDOICSSA-N 474.311 3.696 10 40 JHCB COc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409379226 VVUWZIYIXXJEDH-XMHGGMMESA-N 489.459 3.518 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCn4cccc4)c4ccccc34)[C@@H]21 1565524751 UVWBHCKDEMYRFD-HHHXNRCGSA-N 467.573 3.796 10 40 JHCB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)NCc1ccco1)OCO3 6445919 QWFFSYFFUJAQTQ-UHFFFAOYSA-N 491.525 3.655 10 40 JHCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 9264951 SXAWRVPSMHQEDF-RGVLZGJSSA-N 473.982 3.951 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCSc1cccc2ccccc12 9310287 NXQXPVLHRBCATF-UHFFFAOYSA-N 464.568 3.934 10 40 JHCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 12468504 YSNLOZCEXXRGNC-RQZCQDPDSA-N 460.895 3.732 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3nc4cc(Cl)ccc4n(CC(C)C)c3=O)CC2)cc1 13592894 SMHAKYQOXCMGBY-UHFFFAOYSA-N 483.012 3.996 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223033976 LTUMRLRQKZGEEI-XZOQPEGZSA-N 464.591 3.895 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 223705905 RYSAWPCOKJTESW-FQEVSTJZSA-N 487.666 3.992 10 40 JHCB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 223711335 YKGQSSPJOCNSDW-BWAHOGKJSA-N 490.629 3.596 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 408999394 CQFXGHGOTOYMCT-JCMHNJIXSA-N 465.502 3.904 10 40 JHCB Cc1ccc(COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1 409049082 WBKBTKMVNTYZJO-UHFFFAOYSA-N 494.139 3.848 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1 409131751 JIKGPADKGZQWMU-XSFVSMFZSA-N 452.507 3.935 10 40 JHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 894054 JMVHJZVLXNTUQY-ZRCGQRJVSA-N 454.548 3.541 10 40 JHCB COc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(OC)cc4)CC3)[C@H](c3ccco3)C2)cc1 57363156 SPLLWFPAKGUEPQ-VWLOTQADSA-N 474.561 3.797 10 40 JHCB COc1cc(OC)cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96221444 HRBDIDBBODMHEW-OAHLLOKOSA-N 492.436 3.741 10 40 JHCB biogenic COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260805332 AWFNXBUYFKZDKM-VQTJNVASSA-N 487.666 3.992 10 40 JHCB CCc1nnc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)s1 408531426 NZJHPYCSSZUIHQ-CPNJWEJPSA-N 477.590 4.147 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1I 409245623 WRWMLICPSDOSGV-XYOKQWHBSA-N 496.688 3.928 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)cc1 409332869 RZCTUWIICMTMOJ-CPNJWEJPSA-N 457.533 3.846 10 40 JHCB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 408571779 FXZUSVROOQEJEP-VQHVLOKHSA-N 491.533 3.558 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)c1 408742262 VRFZNABSJMDALB-WUXMJOGZSA-N 480.112 3.892 10 40 JHCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)cc1 409242633 XICYXXUWVZRUQM-NTEUORMPSA-N 466.300 3.839 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1[N+](=O)[O-] 6142788 OJWYCZPXQUGHDW-UHFFFAOYSA-N 475.482 3.767 10 40 JHCB COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c1O 9933365 SMXVBGNKACOZFF-QPEQYQDCSA-N 478.280 3.743 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1Cl 41084357 MOTNJZFELALEFG-MPZQNCSBSA-N 498.996 3.665 10 40 JHCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 41085223 MMFMZDVYNBKUNS-CLFJUMGRSA-N 478.577 3.812 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223011827 DULWHAQYJLVMQZ-VXKWHMMOSA-N 450.564 3.806 10 40 JHCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)s1 1792487 DQZAMOHQUPIHHA-WQLSENKSSA-N 469.411 3.839 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 8869165 MSJQZPSUCIJXDT-FSSWDIPSSA-N 471.440 3.529 10 40 JHCB CCOCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 9411303 FFOALXMQEAQQJL-ZHYNSCGTSA-N 486.663 3.805 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 10113427 BJCSDOXLOKVETN-UHFFFAOYSA-N 492.041 3.671 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 33660068 BWIPIGQDFHPYJT-QNGOZBTKSA-N 457.486 3.564 10 40 JHCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c([N+](=O)[O-])c1 223621798 JGEBSWFEZCVHLM-PKTZIBPZSA-N 481.578 3.761 10 40 JHCB CCCCOC(=O)c1cc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1Cl 408529129 HAEBJBSXTHASGB-DTQAZKPQSA-N 471.897 3.884 10 40 JHCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl 408657724 HNLBTONHIMFXTJ-SJBKTWHCSA-N 480.948 3.693 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1O 408894215 BREYYRBPAQZHLR-SDQBBNPISA-N 465.687 3.792 10 40 JHCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 409144298 OMMNDZFMCSKPFH-BRLDDBHUSA-N 457.621 3.890 10 40 JHCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1C 409249187 IUECHHMIKFQJGB-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N(c2ccccc2)C1=O 4108039 RECQXBMURSEBOI-HMAPJEAMSA-N 487.512 3.848 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\Nc1cc(OC)c(OC)c(OC)c1 8763328 IZFSCOJFGFSWGV-CYVLTUHYSA-N 452.507 3.540 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C 13940435 RFPAVNVWPJKJAO-YBEGLDIGSA-N 459.296 3.911 10 40 JHCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 36683803 QOKRDAOZBQVTDJ-SANMLTNESA-N 472.589 3.616 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2OC)cc1 408530930 GAQSCILNVBYUQY-QGOAFFKASA-N 490.443 3.729 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 409233471 SJHHJEHZKKLWCC-LFIBNONCSA-N 469.925 3.932 10 40 JHCB CN(C(=O)c1cccc2c1OC[C@@H](O)[C@@H](O)CCN(Cc1ccccc1O)CCCCC2)C1CCC1 1615121145 MWFYVYFXJANZIG-RRPNLBNLSA-N 496.648 3.736 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 8819105 CIADXBGIKGJGFF-MFOYZWKCSA-N 459.505 3.539 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)cc1 9548996 ZKOFLXRJDQQQEB-SANMLTNESA-N 459.502 3.515 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9586387 PYSHLMXQMIAVLK-QHCPKHFHSA-N 498.539 3.692 10 40 JHCB Cc1cccc(N(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)S(C)(=O)=O)c1 10113436 KTWRXECLSSNGHF-UHFFFAOYSA-N 493.629 3.728 10 40 JHCB CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 11914672 YTSBJAWZBSKVHK-HXUWFJFHSA-N 473.982 3.891 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 13402122 UHNWRPFMPHSHRF-BPHBXOPHSA-N 484.559 3.800 10 40 JHCB COC(=O)C[C@H](c1ccccc1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114656 DPULOTDBNBFHFN-CQSZACIVSA-N 494.452 3.692 10 40 JHCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC 408805625 BCLGYIAXSDVWJN-AWNIVKPZSA-N 465.687 3.786 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 408813674 UXGCAHYFISRQHT-CPNJWEJPSA-N 466.490 3.716 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409066546 OZHCQOSANJJJPR-DEDYPNTBSA-N 482.901 3.774 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccnc4)c4ccccc34)[C@@H]21 1565524333 GEPGNXIATSAJLC-HHHXNRCGSA-N 465.557 3.890 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)CC2)cc1 892095 IQGJXXFHXHMOSV-UHFFFAOYSA-N 463.607 3.686 10 40 JHCB COc1ccc(OCCOc2ccc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)cc2OC)cc1 8769081 AXLIZOVJWVXRME-KGENOOAVSA-N 492.484 3.621 10 40 JHCB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 13672028 IHSMOMSMQFFIRX-UHFFFAOYSA-N 450.004 3.721 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 13673353 UOKUHBTXEKOQHC-UHFFFAOYSA-N 485.993 3.907 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1 19826026 WNSMOZDQMQCKRK-SANMLTNESA-N 499.619 3.858 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O 408776004 MDSNMDBAZAIRAO-OVCLIPMQSA-N 459.296 3.837 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC 408806033 AEYVTSPYTBLTKM-MHWRWJLKSA-N 489.322 3.922 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(F)cc1 408937115 HZXRGJOQDULZJE-UDWIEESQSA-N 490.443 3.778 10 40 JHCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1Cl 409258069 WDIASRHMFRPWTK-UHFFFAOYSA-N 482.707 3.722 10 40 JHCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 27530465 IBFFIKOTIRTAGU-BUHHDHKDSA-N 454.529 3.877 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(=O)O 223618763 BEIZUQXILSGOGP-YADHBBJMSA-N 450.564 3.542 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223673811 URBBLNVQKCFYEW-RPWUZVMVSA-N 492.601 3.811 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408535358 NTQHLRKYOUIEAI-IVPIOMAXSA-N 486.524 3.964 10 40 JHCB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408667327 SQWKFVQJGFMUSE-JQVVWYNYSA-N 480.948 3.693 10 40 JHCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408936420 GFALNGNXUMIJOJ-KGENOOAVSA-N 456.454 3.939 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1 409199864 FALFYITVOHISRZ-CIAFOILYSA-N 450.445 3.904 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S 409344366 IYISAJXOVUNJPF-UYRXBGFRSA-N 457.533 3.846 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)c(F)c3)CC2)cc1 8810901 HSDOHAWAXWPDJE-UHFFFAOYSA-N 487.528 3.737 10 40 JHCB CC(C)N1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 16741233 COFBYRCRLIUITA-ZDLGFXPLSA-N 480.571 3.645 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20456420 DHYZUSLKFNXOTE-UHFFFAOYSA-N 485.993 3.907 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38773220 ASFTWDPCFWVDAG-VWLOTQADSA-N 483.678 3.968 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 41084114 IDUWZRVFIIZOHR-INVMMPJSSA-N 468.560 3.838 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)NCc4ccc(SC)cc4)ncn3)CC2)cc1 49006861 BFUITCCRXWQIMZ-UHFFFAOYSA-N 495.674 3.942 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408692740 UFGKQZGUZYXAEQ-XDHOZWIPSA-N 465.462 3.587 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 408779228 SKZHBKPDABZYSJ-LFIBNONCSA-N 457.914 3.870 10 40 JHCB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1809467 XBYSHAJLXJICJX-VXPUYCOJSA-N 452.557 3.758 10 40 JHCB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)CC2)cc1 9662634 GPQCVTCZWFPIQP-VWLOTQADSA-N 457.530 3.942 10 40 JHCB COc1ccccc1NC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O 104124268 AFZVWDJZQQNKPY-RGCCPRADSA-N 467.507 3.571 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223291040 FFLRCYAIHCCGLW-ZEQRLZLVSA-N 477.634 3.810 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OC(=O)c1cccc2ccccc12 408897163 WNLCXEZYJSCPKM-UHFFFAOYSA-N 481.327 3.736 10 40 JHCB CCN(CC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2362806 NJHUHTPQFUALKE-UNOMPAQXSA-N 494.598 3.671 10 40 JHCB COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504966 XNKHLLOPILJOAS-AREMUKBSSA-N 488.567 3.789 10 40 JHCB Cc1cccc(OCCOCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)c1 13896120 POPFBKVCVMDOCJ-PLRJNAJWSA-N 458.514 3.931 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 41077683 OKRUBMIXHNAKJI-OOEDSJJISA-N 469.592 3.839 10 40 JHCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C 104123657 SPKMDSSTYIISGD-IUBFCHALSA-N 457.537 3.932 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223604848 QOOSGHYEXVIPGJ-CLJLJLNGSA-N 491.661 3.681 10 40 JHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)c1 408814684 GJFWEHNMDINPMF-LFIBNONCSA-N 474.311 3.707 10 40 JHCB Cc1ccc(COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1 409048637 TYHYRBCRWKRFEP-UHFFFAOYSA-N 494.139 3.848 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC 409374473 QONXTFOEOMTEQO-RIYZIHGNSA-N 463.284 3.502 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(Br)o3)C2=O)cc1 9311407 WNQFKFXSAWLQGI-WDZFZDKYSA-N 454.074 3.779 10 40 JHCB CN(C)c1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9457016 LZUWCOVXTHCZCP-AOIWGVFYSA-N 459.439 3.860 10 40 JHCB CN1C[C@@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 13135632 WNNPRGGVTYMKOL-OWAUWMPXSA-N 475.595 3.956 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC 35105412 ATBVPMOOXYXPOM-UKTHLTGXSA-N 460.371 3.922 10 40 JHCB O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96115166 YYTPPRPZIOXMJZ-AWEZNQCLSA-N 483.432 3.859 10 40 JHCB biogenic COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)c1 101099769 OQXSMTYVHUOXHF-WXFUMESZSA-N 497.503 3.707 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408692934 YUSQHURYIGAQRU-DEDYPNTBSA-N 479.489 3.977 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 894107 ZLPDFOZLOKQVSV-IMSXRSKXSA-N 468.575 3.711 10 40 JHCB O=C1Cc2cc(S(=O)(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCC4)ccc2N1 9338343 SIGXBWOMCLSQIF-UHFFFAOYSA-N 481.599 3.852 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2ccc(OC)cc2)CC1 13504160 SDIXVSIUGFMIEY-HSZRJFAPSA-N 450.587 3.747 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 13750626 YPHZTPKTPYPYBJ-YBEGLDIGSA-N 464.952 3.912 10 40 JHCB Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 16734665 FPFANAYKVMNJPR-YQYFLZKSSA-N 482.587 3.588 10 40 JHCB CN1C(=O)C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N(C)C1=S 408962725 TXVSGGKECRLJFC-UHFFFAOYSA-N 461.499 3.926 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 6369845 DLEONPCFMSJIAO-ISOLXOJXSA-N 494.476 3.944 10 40 JHCB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1ccc(F)c(Cl)c1 9223638 FCAYHQAIFZSQFT-UHFFFAOYSA-N 491.972 3.716 10 40 JHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OCC)c1 15012502 OONLITLEUJFETF-BOPFTXTBSA-N 459.296 3.913 10 40 JHCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409153165 LACCOXWIARMGHN-MOSHPQCFSA-N 496.545 3.723 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409189060 HZUOMQVLNFOPQT-WQRHYEAKSA-N 477.454 3.693 10 40 JHCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 8590084 QBHYQGOVABGHPM-HXUWFJFHSA-N 465.015 3.618 10 40 JHCB COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])cc1OC 9510307 XLKPHQWSUXNZMG-UHFFFAOYSA-N 482.445 3.788 10 40 JHCB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)C(F)(F)F)[C@@H]2c2ccc(N(C)C)cc2)cc1 10078560 MUBLHLGGHQUFOB-HNAYVOBHSA-N 455.502 3.544 10 40 JHCB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034533 BRGFIDLZYOITMR-HJPCULJESA-N 460.508 3.518 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 18249735 JLYNNJFGIDTPQX-FSSWDIPSSA-N 455.441 3.829 10 40 JHCB Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 408657722 HNLBTONHIMFXTJ-RZUBCFFCSA-N 480.948 3.693 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1 409022039 IAJPTQQIABOVEX-FYJGNVAPSA-N 472.501 3.632 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1NC(=O)c1ccccc1 409213266 TWYOPLXGYDADGB-UDWIEESQSA-N 478.961 3.974 10 40 JHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(I)cc1 12629410 INIYZOVDDRPWDY-NVNXTCNLSA-N 482.299 3.820 10 40 JHCB CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007930 XCAGSADEKNZLTL-HSZRJFAPSA-N 452.624 3.683 10 40 JHCB O=C1NC(=S)S/C1=C\c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O 16713665 ROMDWOPHLBUDBK-CYVLTUHYSA-N 462.600 3.642 10 40 JHCB Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1C 41085108 HNCFBHWEGRNPCB-COGBYSKYSA-N 462.579 3.856 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3ccccc3C(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 9446102 MMLWWEUOJIQQKU-SFQUDFHCSA-N 451.529 3.588 10 40 JHCB COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1 9469254 SVNGNKYAKIOJKP-UHFFFAOYSA-N 481.618 3.854 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 16914977 HJGQXCPSALPFFB-RUZDIDTESA-N 482.625 3.734 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1 41085072 DMMFLWWYLVDFCK-YEBHTAKGSA-N 481.559 3.648 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1O 223185628 XVZCMQCYFZNALE-UIOOFZCWSA-N 491.661 3.890 10 40 JHCB CN1CCN(c2ccc(CNC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)CC1 223562543 RIVCHAYPRAAYSH-MOHJPFBDSA-N 460.603 3.587 10 40 JHCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCC(=O)O)C1=O 409048308 SJGMAIYHVZFTTB-VGOFMYFVSA-N 493.697 3.541 10 40 JHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1410476 ILVNNMULWDNRLI-RGVLZGJSSA-N 461.449 3.906 10 40 JHCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCCCC1 10113636 BOAHYZNHYIDUII-UHFFFAOYSA-N 471.623 3.790 10 40 JHCB O=C(O)[C@H](N(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)C(=O)O 16399752 WHNFTCKBTCLGTQ-XEXOPBTESA-N 472.197 3.720 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 22929784 UQZPPPXGJFEGNF-RUZDIDTESA-N 473.650 3.756 10 40 JHCB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102063259 MEHQTIIZWCGPQP-RBZQAINGSA-N 465.505 3.994 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 107851112 BXHUYSQQZBOZBM-SXGWCWSVSA-N 481.808 3.805 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408885418 ZOAOTRHBDGOXQU-UNOMPAQXSA-N 491.431 3.988 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br 409124799 LTNOREKKAVEPIN-RIYZIHGNSA-N 475.364 3.914 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)cc1 409218282 ZXJKVPGCVUHSRP-PXLXIMEGSA-N 472.570 3.883 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccc(Cl)cc1 409219851 VOMHCHWZDOAOHH-FYJGNVAPSA-N 491.887 3.730 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409328882 BTPNPSMMDKKOMC-ZDLGFXPLSA-N 474.516 3.858 10 40 JHCB COc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)c(OC)c1 8821926 NHLJMFZWSRDTIL-NXVVXOECSA-N 460.309 3.871 10 40 JHCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nnc2n1 10165938 JVFSBZLRXOJIKP-UHFFFAOYSA-N 474.900 3.786 10 40 JHCB CCCCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC 13426874 WDCWVHNMPSBQED-PWDRBQJJSA-N 455.623 3.653 10 40 JHCB COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1 19553506 BGOSATMJICJGCY-SANMLTNESA-N 488.567 3.789 10 40 JHCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 54360664 HSZUEBRGIXQGNU-IZILLXMLSA-N 477.007 3.829 10 40 JHCB CCOc1ccccc1/C=C/C(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 95927142 JBTLMTCMMVZAKG-JCTCUOOKSA-N 482.583 3.845 10 40 JHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)ccc21 409190168 LVHZDUNRJVQCLD-YXHQGMJNSA-N 482.290 3.716 10 40 JHCB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 9118179 DFIKOOMQIYRGQG-UHFFFAOYSA-N 465.623 3.780 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCN(c3ccccc3)CC2)cc1 22665313 SYYRKMQILGSYIK-AREMUKBSSA-N 473.577 3.954 10 40 JHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 106765428 OTJHJYQSMMBMDL-UNOMPAQXSA-N 454.508 3.661 10 40 JHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H](/C=C/c1ccccc1)OC21C(=O)c2ccccc2C1=O 169680779 YRZXQCGDZQBCQW-OBSHBMASSA-N 467.452 3.862 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 245229687 DBICFSMPMVVPEJ-UKWMHNODSA-N 491.588 3.507 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1ccccc1Br 408867839 MEXSSKKLCJYJHB-UHFFFAOYSA-N 480.181 3.717 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 409106212 MPBNKHQEULBZPE-DJKKODMXSA-N 473.507 3.999 10 40 JHCB COc1ccc(N2CCN(C(=O)N[C@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)CC2)cc1 2725423 GJMAYFKXUCGZDE-HXUWFJFHSA-N 457.836 3.868 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)c1 8819233 JTPDPPMZWVSVBT-SILNSSARSA-N 456.589 3.702 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9875116 RLWIRNFNENZGMQ-MHZLTWQESA-N 473.529 3.949 10 40 JHCB COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(C)cc3F)CC2)cc1 33292947 VXXBFKZKQRRXEN-UHFFFAOYSA-N 467.570 3.990 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3nc(C)[nH]c3c2)C1=O 408534978 XAXQLZNMBNNUHC-XNTDXEJSSA-N 468.311 3.775 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1OC 408848227 RFUMUDCSAOBQQT-PKNBQFBNSA-N 467.330 3.851 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 408852770 NEOSANUGQAGTCJ-VXLYETTFSA-N 488.456 3.706 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 409238852 OADAMDYHBCOKCV-DEDYPNTBSA-N 462.481 3.773 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c(Br)cc1O 409246327 BBZYTUUTQNYFCK-UKTHLTGXSA-N 475.295 3.619 10 40 JHCB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101482516 GRFMIDRYNOVTIM-DNVJHFABSA-N 467.477 3.780 10 40 JHCB COc1ccccc1N1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1 20142280 ONQWVUWIFFRGDM-MUUNZHRXSA-N 497.647 3.902 10 40 JHCB aggregator COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 15954407 WGRWGISHTMYQMW-MRDQGFSESA-N 451.519 3.796 10 40 JHCB biogenic CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H]1c1ccc(N(C)C)cc1 408992959 VGIYCUCNIBFQSG-HSZRJFAPSA-N 482.606 3.971 10 40 JHCB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 16914720 BBPVLSFNPYFMEA-RUZDIDTESA-N 495.645 3.848 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1 8722245 GCYCVNIISWHJHK-STZFKDTASA-N 475.501 3.675 10 40 JHCB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 21284488 GSFCOGXHEPBUSL-UHFFFAOYSA-N 459.296 3.606 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 32990954 JUTOCYDPTVKOJR-UHFFFAOYSA-N 457.983 3.894 10 40 JHCB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 61931388 WJXQRCXCCSJIKS-HNNXBMFYSA-N 470.957 3.766 10 40 JHCB O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1CCS(=O)(=O)O 102626051 HXUIQJIBMGSNOF-LFIBNONCSA-N 477.614 3.690 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 112295539 XZXIXUGCXINIBW-STZFKDTASA-N 452.511 3.807 10 40 JHCB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408671632 ZPKJANXQRJTHHE-VXNXHJTFSA-N 488.584 3.856 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O 408742007 UGCUKUXHTBBWMQ-WUXMJOGZSA-N 496.111 3.592 10 40 JHCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)O 409199876 FLOAXQLVKDYJDR-MHWRWJLKSA-N 460.489 3.863 10 40 JHCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)SC1=S 409370063 KIMNJXFUKOCYMW-WDZFZDKYSA-N 450.763 3.875 10 40 JHCB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(C(=O)O)cc1 2451737 RIOJIWQUOZZUOQ-DHDCSXOGSA-N 477.361 3.987 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 15013021 VALUGEYWWHEKIF-QPEQYQDCSA-N 465.687 3.873 10 40 JHCB COc1cc(/C=C2/SC(=S)N(/C=C/c3nc4ccccc4[nH]c3=O)C2=O)cc(OC)c1OC 17223366 UXEMDRGJUZLAPP-OIKVXRBGSA-N 481.555 3.821 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 41077789 IUUFSTMDSNLODL-QNPDVEALSA-N 474.951 3.540 10 40 JHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\N1CCN(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)CC1 100922855 IKQOXLWRKPWUSB-WTHRLWDASA-N 482.588 3.834 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Cl)Nc1ccc(F)cc1 408695705 XODRIRVRLIFZMP-WOJGMQOQSA-N 485.899 3.901 10 40 JHCB COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 16914148 CXEQMKZHDBZWRC-MUUNZHRXSA-N 472.633 3.983 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 41083844 FAOSXZTWHVWXIH-OOEDSJJISA-N 469.592 3.722 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223011747 BMNNTFHYDJHDSX-FGZHOGPDSA-N 450.564 3.806 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 225142810 GQEORXHIGVWQNQ-NRFANRHFSA-N 450.004 3.656 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c(OC)c1 409106830 MYIDOMQLXDPFAB-BOPFTXTBSA-N 479.470 3.703 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S)c1cccs1 409348483 NRLBTQJXJQGRQG-WQLSENKSSA-N 472.354 3.899 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 8424490 ATTNVRVIUGFYAF-BHIFYINESA-N 482.448 3.598 10 40 JHCB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1-c1ccccc1F 12651400 ARUBLSWFAPABJK-UHFFFAOYSA-N 455.442 3.585 10 40 JHCB O=C(O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 32192943 PNXNZJFRMNERRK-MDWZMJQESA-N 474.325 3.864 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 41084304 TXZJWJNQPRNZOU-SUBHDOALSA-N 479.518 3.570 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C(=O)O)c1 223618995 OJQIOCYQMVKTRO-FCHUYYIVSA-N 450.564 3.542 10 40 JHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409046145 JBKVEMNZPNOWCW-GIJQJNRQSA-N 459.480 3.610 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1[N+](=O)[O-] 16576073 VXBNDHYZAXGOLN-WLUJYDQBSA-N 453.495 3.670 10 40 JHCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665535 NDSOJMBVNIXDOM-SANMLTNESA-N 488.632 3.820 10 40 JHCB Cc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O 35855635 DZPGGQKWPDGVDA-WDNCENIBSA-N 493.610 3.881 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408956358 WDPCFJSCRZGYIB-RGVLZGJSSA-N 460.417 3.800 10 40 JHCB CN(CCCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383425 AFELWJVXOFZPEM-UHFFFAOYSA-N 462.527 3.501 10 40 JHCB O=C1C[C@H](c2ccc3nccnc3c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222526 ZJLZWMJTRBEUEV-CYBMUJFWSA-N 484.420 3.667 10 40 JHCB biogenic CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1 409146246 SELWDXCEUIMWEQ-XQNSMLJCSA-N 496.633 3.835 10 40 JHCB O=C(NN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S)c1ccc(Cl)cc1 409363548 WMYQMKSKVYZNLQ-UUASQNMZSA-N 463.880 3.523 10 40 JHCB COc1ccc2c3c(n(CCc4cn5c(n4)SCC5)c(=O)c2c1OC)-c1ccccc1C3=O 604405379 RSKDKLCXHZSQBC-UHFFFAOYSA-N 459.527 3.775 10 40 JHCB biogenic COc1ccc2c3c(n(Cc4nc(-c5ccco5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604405604 RUIXJDSIZBPCEW-UHFFFAOYSA-N 455.426 3.921 10 40 JHCB biogenic CCCSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)n1 8612120 AOJCWPCKBZJKSV-KRWDZBQOSA-N 483.059 3.528 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N2CCc3ccccc3C2)cc1 16914918 HSOYRPGDUKGDES-RUZDIDTESA-N 453.583 3.970 10 40 JHCB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCN(CCO)CC3)c(O)ccc12 20392444 OBBQPDZNWBFFIJ-UHFFFAOYSA-N 482.886 3.948 10 40 JHCB biogenic COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3ccccc3)CC2)cc1 20765815 UGGZCWBXQXHDGZ-UHFFFAOYSA-N 491.613 3.799 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 101076174 YOZRGPRGGUCZAB-BHDDXSALSA-N 482.448 3.598 10 40 JHCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc2ccccc12 408661144 MCBWXTVIQOYMAR-ARNLJNQMSA-N 482.536 3.884 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)CC2)cc1 408704265 ZKAJIPDPCRRBGD-UHFFFAOYSA-N 492.041 3.732 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 10112147 VHSDFLCMGZPINT-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)n1 13465113 GCRFOTCXBSPFTR-UHFFFAOYSA-N 471.520 3.685 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCN(c3ccccc3)CC2)cc1 22665317 SYYRKMQILGSYIK-SANMLTNESA-N 473.577 3.954 10 40 JHCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 108215881 XPQLWPKCTSMICX-LPYMAVHISA-N 482.496 3.843 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)cc3Br)C2=O)cc1 408984448 REZGGFFJXWABER-DHDCSXOGSA-N 459.296 3.695 10 40 JHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 409095232 AEGCPCVZCBDIIK-RIYZIHGNSA-N 476.938 3.596 10 40 JHCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc(Br)cc1 975597 CYICKQFBMNBUCS-NTEUORMPSA-N 459.350 3.872 10 40 JHCB COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1OC 12321356 LHXIGMMTFURWAD-INIZCTEOSA-N 450.491 3.760 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 108053184 BACPIPPUOXAXIN-MOSHPQCFSA-N 460.402 3.543 10 40 JHCB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 223850818 AEBUTOMOABTJTI-ULJHMMPZSA-N 461.587 3.980 10 40 JHCB CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O 408761504 GDPNTLWVOYNFIN-WJDWOHSUSA-N 461.337 3.688 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)S1 409092908 WSTZHABWPCGDSN-CXUHLZMHSA-N 471.343 3.868 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC4CCOCC4)c4ccccc34)[C@@H]21 1565524275 DTDUGKLJTVEBFM-HHHXNRCGSA-N 472.589 3.721 10 40 JHCB Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8658618 KPRLEZDGLKGICZ-UHFFFAOYSA-N 451.523 3.693 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc(OC)c1OC 13400222 ZJKHIXOUQVORBX-HKWRFOASSA-N 486.615 3.663 10 40 JHCB CCN1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S 16733350 QWZWEVQWEIJSGG-NVMNQCDNSA-N 480.571 3.565 10 40 JHCB COc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1OC 96221050 OYGBCIRIGJZDBY-ZDUSSCGKSA-N 492.436 3.741 10 40 JHCB biogenic COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)OC21C(=O)c2ccccc2C1=O 101099773 BVCCFCSRUWVCKM-DNVJHFABSA-N 467.477 3.699 10 40 JHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccccc1O)N[C@]2(Cc1c[nH]c2ccccc12)C(=O)O 102777484 DXSRGCQCCJDVEK-MUCKBHKGSA-N 499.498 3.529 10 40 JHCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260763820 GYJWRTSLACRBSV-AABGKKOBSA-N 473.639 3.963 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 408894726 IZEPPEWVLFDTML-QNGOZBTKSA-N 478.551 3.594 10 40 JHCB CC[C@@H](C)Oc1c(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cccc1OC 409015554 RLQZMNCMKCFJKJ-XUMLYMLNSA-N 452.507 3.898 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCC 409188938 KUTNWDGWNKXEQY-OQLLNIDSSA-N 474.922 3.667 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 409222816 XPWRILAPMQRBFC-XNTDXEJSSA-N 466.437 3.563 10 40 JHCB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)c(F)c1 24779516 ZEUFBWQZLJVTEK-UHFFFAOYSA-N 477.536 3.941 10 40 JHCB COc1ccccc1NC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)=O 104124401 AFCSRELSTOMAEH-VQERKYHCSA-N 485.522 3.781 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408595962 YFRCYHKVYLPYDJ-WSDLNYQXSA-N 463.465 3.790 10 40 JHCB CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccc(Br)cc23)C(=O)NC1=S 409142749 DCRIUEVAFUZGGD-MFOYZWKCSA-N 454.349 3.709 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O 96234508 OCXXTBYRBDTDBK-QGMBQPNBSA-N 492.384 3.670 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408818950 ZCMPKFDLHBVRBV-GZTJUZNOSA-N 456.882 3.970 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 14269039 JUQQGPQDMUOFLZ-UHFFFAOYSA-N 450.520 3.594 10 40 JHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 408768435 JCHNRAJNLIBWTI-UHFFFAOYSA-N 496.497 3.930 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408918637 NBFQLRQRNSXLFM-NTUHNPAUSA-N 451.331 3.838 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409063736 MKXLBZZAWMOBKE-XSFVSMFZSA-N 482.901 3.774 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409327801 NEHQGOSSEICTOG-CHHVJCJISA-N 491.459 3.590 10 40 JHCB CN1C(=O)C(=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 3073046 PTOOAQZLTNZAME-UHFFFAOYSA-N 454.489 3.790 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 9262725 MDVNLRHADNBHJF-NTEUORMPSA-N 459.296 3.695 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O 15013154 BLLVRWODXYQSKY-FBKCMUNRSA-N 454.504 3.836 10 40 JHCB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 20036977 OSMBFONTKULWOO-UHFFFAOYSA-N 469.651 3.844 10 40 JHCB COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114418 VTHICKYRHKXNAT-HNNXBMFYSA-N 494.452 3.692 10 40 JHCB biogenic Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1O 223185522 XVZCMQCYFZNALE-FTJBHMTQSA-N 491.661 3.890 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc(Cl)c1 408811391 VKQGSULQCLTQBR-UHFFFAOYSA-N 479.714 3.830 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC 408984589 SAXZIBWXOIJRQC-YVLHZVERSA-N 486.908 3.519 10 40 JHCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(OC)cc2)N[C@H]1c1ccc(N(C)C)cc1 408992961 VGIYCUCNIBFQSG-QHCPKHFHSA-N 482.606 3.971 10 40 JHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409242722 SRAUTSFZSYCVRP-CIAFOILYSA-N 467.441 3.659 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)S1 20036486 ZJMNLCWBOHBZOB-RQZCQDPDSA-N 475.320 3.833 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 96234406 OIRSCILWJJECKB-LFVJCYFKSA-N 488.519 3.736 10 40 JHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1 409130834 WOLFMAWBJCWEAT-UNOMPAQXSA-N 475.929 3.991 10 40 JHCB Cc1cccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)c1 409264820 GAXYLDILCKWFDC-HYARGMPZSA-N 473.460 3.818 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(O)c(C(=O)O)c1 1760706 MVAJHXNWTWGXAG-SXGWCWSVSA-N 462.936 3.974 10 40 JHCB Cc1c(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1907871 LFFLWHREPHFCHN-RGEXLXHISA-N 450.589 3.956 10 40 JHCB COCCNC(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc21 3648177 DAZZILUPDOLEGE-VCHYOVAHSA-N 454.324 3.659 10 40 JHCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)N1CCN(c2ncccn2)CC1 9198086 SJWBBJSYKHHSJF-UHFFFAOYSA-N 488.592 3.968 10 40 JHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193297 JYQDRQPGGNIFAX-PDGQHHTCSA-N 478.368 3.691 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1C#N 107677194 PUDMRRGTSRZJAG-MTJSOVHGSA-N 455.470 3.616 10 40 JHCB C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(N2CCCCC2)cc1 225392210 JDTVUFDWZCJNSE-INIZCTEOSA-N 471.608 3.820 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)NCc3ccco3)c12 409131591 YJGQZTWRRMDVCX-NDENLUEZSA-N 483.615 3.961 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCC3)ccc21 9135585 BOMSTQVCLNAOSH-JOCHJYFZSA-N 458.965 3.753 10 40 JHCB Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9245216 NNPIDHCRSWNELH-UHFFFAOYSA-N 454.577 3.603 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc(OC)c1OC 13400228 PDEAZJFQCWKDQS-JXAWBTAJSA-N 464.609 3.706 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(F)ccc4F)ncn3)CC2)cc1 49006826 NNWZUNKYBXLOKK-UHFFFAOYSA-N 471.533 3.821 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408918456 KRXRCGJMNSCESH-JAIQZWGSSA-N 464.478 3.973 10 40 JHCB Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)no1 12017078 VPBLRMKQICUPKH-UKTHLTGXSA-N 452.355 3.976 10 40 JHCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 27530605 DXGGEWBSSVXKTO-XDHOZWIPSA-N 486.571 3.720 10 40 JHCB O=C1C[C@@H](c2cccc3nccnc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114298 HWRADNJSYYEIHC-AWEZNQCLSA-N 468.421 3.961 10 40 JHCB biogenic COCCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=O 409017977 GVCCMDPUZGDCKO-NKFKGCMQSA-N 458.518 3.569 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)OC 409344221 IBUXWTRPCYQJPJ-ZDLGFXPLSA-N 474.516 3.951 10 40 JHCB CCCC(=O)[C@H](C(=O)OCC)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O 8835913 HRZZCBQJRXWXAZ-OAQYLSRUSA-N 456.520 3.757 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(I)o2)C(=O)NC1=S 9262819 GMOCJLLFVSOVGS-YFHOEESVSA-N 472.691 3.677 10 40 JHCB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 16185257 BHBAZUZASBSVAX-OAHLLOKOSA-N 452.330 3.585 10 40 JHCB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 48367811 SBWJQNZNMGNKNQ-AUSIDOKSSA-N 463.603 3.803 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1cccc(C)c1)OC21C(=O)c2ccccc2C1=O 101903029 WNOBUWCXKKCFJY-DNVJHFABSA-N 467.477 3.699 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 106078312 GQGFHKBQUNIRSE-AQTBWJFISA-N 463.833 3.929 10 40 JHCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 223241808 OEYPKOFUTMOWJB-OAQYLSRUSA-N 499.677 3.965 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223673222 OBYNUSROOTZQMY-XZOQPEGZSA-N 450.564 3.725 10 40 JHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409010772 LCVRJNOPWVFLJA-UZUMKDMXSA-N 456.520 3.869 10 40 JHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 409196507 ZWLNANNAKLGLCU-OOIIIRTPSA-N 482.290 3.716 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409235479 QKUUOTRFJVHACB-NTEUORMPSA-N 475.364 3.996 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)c1 409273478 YJLOYXPFZYVNCC-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 9631613 BSMRMHHXFGTFAB-UCQKPKSFSA-N 459.481 3.952 10 40 JHCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 10113669 VRGDOXWBADUWPL-UHFFFAOYSA-N 471.623 3.646 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2S1 41084121 IKCQQWREGDFWLI-BIWIXZEJSA-N 468.560 3.585 10 40 JHCB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101113837 CZZJCQPLINEEBE-YTFSRNRJSA-N 485.467 3.920 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(F)cc1 223140419 LACZRODLNPDTOB-RPBOFIJWSA-N 479.625 3.933 10 40 JHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1OC 257300512 RUOQFZRLBGHRBB-HSZRJFAPSA-N 451.567 3.740 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cccc(F)c1 408936603 GYAFRVNHPKZETI-UDWIEESQSA-N 490.443 3.778 10 40 JHCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)c1 409138583 DZUOVVBDEPXPSI-ZHZULCJRSA-N 452.507 3.935 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409216185 IOEZYARSZKBUAP-PXLXIMEGSA-N 472.501 3.554 10 40 JHCB Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2250728 KUUXSLALMQRSRE-UYRXBGFRSA-N 478.599 3.633 10 40 JHCB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN(CCC(N)=O)c1ccc(OC)cc1 9671328 SJNTYEVEKPXZAD-UHFFFAOYSA-N 487.603 3.982 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCC(C)CC3)nc12 26688467 VMFCAZGDSABKKA-HNMKQIAWSA-N 484.647 3.619 10 40 JHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C2=O)cc1 112296725 IIAFZULUHXFSAN-KQWNVCNZSA-N 477.546 4.000 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223034290 ACNOCNKAIMLUSV-DHIUTWEWSA-N 464.591 3.895 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 408851631 DTIZNGIGBYXCBO-RGVLZGJSSA-N 460.417 3.800 10 40 JHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408902397 ILMSVEHDDVLZLX-NTUHNPAUSA-N 465.687 3.786 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(F)c1 408953313 PRARHUKZGRDYEE-VXLYETTFSA-N 490.443 3.808 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 409247531 ICFYYRUADLVAMT-GRSHGNNSSA-N 462.333 3.932 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10112148 SMCWQZLFWCINMD-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 16734624 BQFMMMAYIZCYJD-KBQQKMGSSA-N 458.609 3.594 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408807736 HMMWRGVGZPISBL-PXLXIMEGSA-N 456.454 3.719 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Cc2cccc(F)c2)c1 408871922 ZOXPNAVJQARTCC-LPYMAVHISA-N 475.432 4.000 10 40 JHCB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)NC1=S 408913959 WIMMVVFJEIXQEP-AWNIVKPZSA-N 466.302 3.737 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1I 8424791 VYWQGNVBXKMBBW-XFXZXTDPSA-N 467.650 3.523 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Br)c(Br)c1O 13914113 ZWFIMXWOBSEVGL-YRNVUSSQSA-N 496.111 3.592 10 40 JHCB CCC[C@]1(C(=O)O)N[C@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 15277554 PJFUKQUHHPUDEJ-MTPWMDRRSA-N 474.513 3.628 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2)cc1 408937238 NMKXUIKSSAUPAU-RCCKNPSSSA-N 478.551 3.594 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)CC2)cc1 918149 VDHCMINQXVTOJM-UHFFFAOYSA-N 471.439 3.979 10 40 JHCB COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 9374548 NMEGFEGCXBDWNN-JSUXISIESA-N 486.663 3.723 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4C)c(OC)c3)C(=O)N=C2S1 41084041 OWRVJEUWPMOQRI-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl 59678802 NRVZONPCYMCNHZ-UXBLZVDNSA-N 469.664 3.777 10 40 JHCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(S)N(c2cccc3ccccc23)C1=O 102623400 IBYAIFGVQKACKH-BARSGRSVSA-N 498.564 3.738 10 40 JHCB O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)ccc1Cl 205910823 ZMYNDHZHTPVGNV-LICLKQGHSA-N 460.895 3.957 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N(c2ccccc2)C1=O 409017408 ZHHLUCZTWKAKAX-PGMHBOJBSA-N 474.469 3.758 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O 409141395 VCUMQEYWSDKINK-NTUHNPAUSA-N 461.337 3.611 10 40 JHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 409380676 PMUYMLBVSZBVAM-UYRXBGFRSA-N 451.475 3.792 10 40 JHCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N(CCO)Cc1ccccc1 8820475 HXEAJMZNVGEVPC-ZTJAMKNHSA-N 452.601 3.855 10 40 JHCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 11917523 GHOMKMJMBBMHNA-NRFANRHFSA-N 453.564 3.546 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 59248906 WLJZSWBYIJXOBN-LFIBNONCSA-N 490.379 3.872 10 40 JHCB COC(=O)C[C@@H](c1ccccc1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114657 DPULOTDBNBFHFN-AWEZNQCLSA-N 494.452 3.692 10 40 JHCB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)C2=O)cc1 408533568 KDZKZBOKMNYMFR-HSGJKIJMSA-N 498.491 3.989 10 40 JHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 409107303 QTDRUDBLVXDVLY-MPMPPSQCSA-N 470.547 3.721 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504617 CPZKOBJJVRHSMW-RUZDIDTESA-N 458.541 3.781 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 95547696 DYDOLFKDVDXLPJ-NHDPSOOVSA-N 472.501 3.663 10 40 JHCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 108117140 BWPNUIQPHUHETI-ZDLGFXPLSA-N 473.938 3.781 10 40 JHCB CN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccc(Br)cc23)C(=O)NC1=S 409149917 VKXIRPBKGDOZNH-PXNMLYILSA-N 472.339 3.848 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(I)cc1 13615004 DXTBZEYXURKTIA-ZROIWOOFSA-N 467.650 3.523 10 40 JHCB CN1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 20227405 VARGPQVQQMQRLF-SDXDJHTJSA-N 452.045 3.876 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCC(C)CC3)nc12 26688462 VMFCAZGDSABKKA-AMRJIULGSA-N 484.647 3.619 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084546 RTDMNUWNRZNTRN-NWSLSDTJSA-N 481.965 3.828 10 40 JHCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)n(CC)c2=O)C=Cc2ccccc21 100501655 XLQIHGGIKHNDIR-HAWGUCPISA-N 491.016 3.818 10 40 JHCB CC(C)[C@@]1(C)CC[C@@H](C(=O)Nc2ccc(NC(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 100919988 YPYKPUFUQFVHBP-QPTYEKFISA-N 494.588 3.739 10 40 JHCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 104124075 YKCSTRUIMLEQPE-LSJZCYCUSA-N 478.943 3.672 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223655205 NZTGAHOFGKCORQ-DHIUTWEWSA-N 478.574 3.723 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 408804453 GFXYIXBMRDQLAR-LICLKQGHSA-N 486.908 3.979 10 40 JHCB CN1C(=O)C(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)N(C)C1=O 409119030 PHGFGJDZJMSLLY-UHFFFAOYSA-N 468.101 3.905 10 40 JHCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 409410335 VIKWRBMKBIETPL-VXUIJSMJSA-N 455.426 3.675 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 642271 GTIAYSGDORMPDZ-RIYZIHGNSA-N 479.327 3.827 10 40 JHCB O=C(COc1ccc([N+](=O)[O-])cc1)NN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 2087938 HHHRVIXXJVRKCV-OQLLNIDSSA-N 483.449 3.925 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 59139767 MCPKRCQUACJDKR-UHFFFAOYSA-N 488.949 3.645 10 40 JHCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 95108955 WFLWOVGGJGLYIB-FDFHNCONSA-N 471.440 3.529 10 40 JHCB COc1ccc(N2CCN(C(=O)c3snnc3-c3ccc(Br)cc3)CC2)cc1 225785553 KDVGGJGPOKCBBM-UHFFFAOYSA-N 459.369 3.939 10 40 JHCB COCCN1CCN(c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)CC1 643576020 DMOHCJQKCMKPFT-UHFFFAOYSA-N 465.642 3.551 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 13775078 BMZWLQXGACPUDZ-PJMHOZITSA-N 481.574 3.658 10 40 JHCB CCCCN(C(=O)/C=C/c1cccc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14169434 CVHMTKDJDLFGQJ-CCEZHUSRSA-N 469.545 3.562 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc(Br)c1O 16194990 VPYLJUXAJOKZAV-XGICHPGQSA-N 462.212 3.578 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC 18144892 JIWMDXCGEGFEFD-TZRRMPRUSA-N 497.503 3.707 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1O 409250823 OCHWFLDOYUBCNK-UXBLZVDNSA-N 467.728 3.648 10 40 JHCB CN(C)c1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9457012 LZUWCOVXTHCZCP-LMMKCTJWSA-N 459.439 3.860 10 40 JHCB COCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 26840765 UDHBSCIZUSNPPL-FOWTUZBSSA-N 473.963 3.988 10 40 JHCB CCOc1cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)ccc1OCc1ccccc1 408538139 JRIFZRLMALQWMI-UHFFFAOYSA-N 472.497 3.993 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408816109 KLXMAUZQQGDUFB-UHFFFAOYSA-N 451.331 3.885 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OC 408914925 RSQZYYLQEGLCBS-VGOFMYFVSA-N 463.259 3.662 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Cl)c1OCC 409105532 KUSOYXPZIIKDRT-OQLLNIDSSA-N 490.965 3.986 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 12589742 FXSQIQUYQSKWNP-JOCHJYFZSA-N 465.623 3.848 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 102782350 IKEAXQUWETZWMG-ZTVFFDQVSA-N 495.535 3.698 10 40 JHCB O=C1C[C@@H](N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(F)cc1 103396934 SSNBKXTVRXTIGT-LGEORROZSA-N 451.504 3.840 10 40 JHCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(F)c(Cl)c1 409222148 AGZDHXMPGANLHX-YBFXNURJSA-N 475.929 3.991 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21 409237822 JAHKKTDZMUXGCD-XDHOZWIPSA-N 461.543 3.653 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409245954 BMQNJWPDWDFOLW-NDENLUEZSA-N 455.492 3.677 10 40 JHCB CC(C)CCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 8857997 CHIQBNCJWKEMMD-JXAWBTAJSA-N 482.635 3.641 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1Cl 9135638 YXIJTXWLYPXVBC-QFIPXVFZSA-N 471.001 3.623 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1 9310317 JYVOWESAIPYASN-UHFFFAOYSA-N 498.102 3.679 10 40 JHCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 13614769 WFLWOVGGJGLYIB-BHIFYINESA-N 471.440 3.529 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)O 409056422 MBJKXPQZJAKUQM-MKMNVTDBSA-N 493.299 3.830 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 8772097 OHTUEZHHJSLYBA-AKXTVZDZSA-N 480.615 3.840 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 9444386 YNVKDZQWTKUZSE-NVMNQCDNSA-N 487.515 3.649 10 40 JHCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21 10274664 YIZOVMWRLPERDN-UHFFFAOYSA-N 466.946 3.626 10 40 JHCB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 44803838 WDRMZWWLARVSLM-OAQYLSRUSA-N 489.620 3.992 10 40 JHCB O=C1C[C@H](N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(F)cc1 100972136 SSNBKXTVRXTIGT-NBPJVQFTSA-N 451.504 3.840 10 40 JHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 409107305 QTDRUDBLVXDVLY-SWEABUAFSA-N 470.547 3.721 10 40 JHCB COc1ccc(/C=C2\SC(Nc3c(C)n(C)n(-c4ccccc4)c3=O)=NC2=O)cc1OC 941230 UJDHHOPOJPWRPB-UYRXBGFRSA-N 450.520 3.584 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1218434 UQQPIZPEYDDLFM-WQRHYEAKSA-N 474.560 3.561 10 40 JHCB CCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2391174 NSXXAPSMOKAOSU-OWBBTNHHSA-N 480.615 3.841 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)cc1 9717146 BFTHAFMSHQWVAU-UHFFFAOYSA-N 453.546 3.964 10 40 JHCB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19820329 PYUPHQSPIAPUHZ-XZOQPEGZSA-N 457.486 3.763 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc4c(O)nc5c(-c6cccc(C)c6)nnn5c4c3)CC2)cc1 21867159 NCWWHVKZTDTZJJ-UHFFFAOYSA-N 494.555 3.930 10 40 JHCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41084937 NIBMPWMGCOYFPI-HUHIGAQKSA-N 466.479 3.536 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)n3CCC(C)C)CC2)cc1 67238193 BQAXBDHWHNZRIO-UHFFFAOYSA-N 483.638 3.529 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]32)cc1 101489781 JLYNNJFGIDTPQX-BDTNDASRSA-N 455.441 3.829 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc(F)cc2)c1 408807229 KSJWOQUPRRWCPM-SRZZPIQSSA-N 491.431 3.988 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)CC2)cc1 3555402 LKWIZRJBWWSTOQ-UHFFFAOYSA-N 459.546 3.628 10 40 JHCB Cc1cc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 8707263 XZOOPFNVKMKIMW-UHFFFAOYSA-N 487.405 3.798 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1O 9259866 PDKZBJZVHPECSC-OVCLIPMQSA-N 459.296 3.837 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N[C@H](Cc1ccccc1)C(C)=O 9672170 PESRKIGGNDBEJU-HXUWFJFHSA-N 465.575 3.750 10 40 JHCB COc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1OC 10906650 ZXYCKQBKRKKYIN-UHFFFAOYSA-N 467.591 3.865 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1ccccc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 34690313 MPVNNLAKGHBISK-XZZVZQAVSA-N 489.622 3.980 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCc3ccccc3C2)cc1 36683834 KDMNFWQZHLHDBH-VWLOTQADSA-N 487.560 3.515 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1C 214691319 RCRNMHGPMJEEJH-FYJGNVAPSA-N 453.564 3.606 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC 18249639 JIWMDXCGEGFEFD-SGNDLWITSA-N 497.503 3.707 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)S1 33768530 FYBQSHOQHXWMMS-ZDLGFXPLSA-N 488.363 3.881 10 40 JHCB COc1ccc(N2CCN(C(=O)c3nnn(-c4ccccc4Cl)c3-c3cccnc3)CC2)cc1 67262576 XXSYWYICBSRMLV-UHFFFAOYSA-N 474.952 3.954 10 40 JHCB CCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 8859447 NSMOKPGRFRPEFT-VKAVYKQESA-N 460.625 3.843 10 40 JHCB CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)CC1 16609314 SVWBDHBWDAIXNH-UHFFFAOYSA-N 483.569 3.501 10 40 JHCB COc1ccc(N2CCN([C@H](CNC(=O)NCCOc3ccccc3)c3ccco3)CC2)cc1 77200637 KJHHVYSPWKVCPI-XMMPIXPASA-N 464.566 3.530 10 40 JHCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c([N+](=O)[O-])c1 223273839 VHCISEOSCMWTBK-DNQXCXABSA-N 494.621 3.940 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 408937021 HMKZXUFTLHQWSQ-FYJGNVAPSA-N 460.417 3.769 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409195442 UNOUKGSFGSNWCD-HYARGMPZSA-N 488.569 3.690 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OC 409235885 CRISGLPRLHXSQG-JYRVWZFOSA-N 461.337 3.606 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)ccc3Cl)CC2)c([N+](=O)[O-])c1 9064472 XLVACHOIOISNEJ-UHFFFAOYSA-N 469.350 3.747 10 40 JHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1Cl 9135768 HBUZIPZTZQJSIB-QHCPKHFHSA-N 455.002 3.923 10 40 JHCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 9281001 ZQSIURKMJAKXAX-JXAWBTAJSA-N 474.652 3.867 10 40 JHCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 56896378 IFPYIIIFIZTXBV-DEOSSOPVSA-N 487.025 3.585 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223690744 BFXYYUSYMOEPEM-PKTZIBPZSA-N 478.574 3.723 10 40 JHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC 408934463 AXYROGOLTNDGTN-MHWRWJLKSA-N 472.881 3.892 10 40 JHCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1F 409378831 SEANIXUGFKYEFZ-QGOAFFKASA-N 477.423 3.649 10 40 JHCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2321410 CIVRJVSSLSPFKV-CYVLTUHYSA-N 485.679 3.536 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 6600611 WQPPUHRXMZCPFH-UHFFFAOYSA-N 451.331 3.885 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 6997584 DXWDBHPDAXXHDW-VBKFSLOCSA-N 460.353 3.864 10 40 JHCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 12042498 HFFHCKFYUDYKHI-UHFFFAOYSA-N 475.482 3.767 10 40 JHCB CNC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 40030828 JLRZOSKPONFQCV-FQEVSTJZSA-N 450.564 3.820 10 40 JHCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3)c2=O)=N1 409036449 RINRODKUTFKYQL-JFARUEAUSA-N 475.614 3.645 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 12467193 LEGPEBKOBIHWOJ-KVOKEACQSA-N 493.604 3.703 10 40 JHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 13647824 MNGDYQDTHSBFEN-VKAVYKQESA-N 458.609 3.677 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OCCOc3ccccc3)CC2)cc1 23472296 AMGAHDQEHKHHJC-UHFFFAOYSA-N 490.556 3.659 10 40 JHCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 32109372 PHOCGORFPWVEBF-PSZZWWBBSA-N 484.559 3.882 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c(C)n1Cc1ccccc1 41085307 PJINETCFSXPYGV-QZEQKTIESA-N 483.619 3.801 10 40 JHCB CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 59198282 GCIUOXFDWRYGBX-LFIBNONCSA-N 473.279 3.898 10 40 JHCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C 104123653 SPKMDSSTYIISGD-ANEHGGCBSA-N 457.537 3.932 10 40 JHCB CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)SC1=S 108992863 BBPXVTXMIGYDIM-YHYXMXQVSA-N 481.187 3.896 10 40 JHCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408534365 QQWQYXOPKXKROS-ZROIWOOFSA-N 475.259 3.797 10 40 JHCB CC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O 408537109 ZEHJWEIKHUEZEA-GZTJUZNOSA-N 486.366 3.520 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccccc1 408900116 RPMCNEWMPVTODL-RCCKNPSSSA-N 485.496 3.688 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1C 409045485 YSOXJQIBYUDZOI-PXLXIMEGSA-N 469.497 3.987 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1OC 409135759 ZWBYZYQEFBZPAA-OQLLNIDSSA-N 475.364 3.914 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccc(F)cc1 9647283 RLSDLUXXBOJVPQ-AREMUKBSSA-N 477.492 3.654 10 40 JHCB COc1ccccc1NC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)=O 104124406 AFCSRELSTOMAEH-CPSPCKPPSA-N 485.522 3.781 10 40 JHCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409071870 QGDSDOIIPFVYOB-JXAWBTAJSA-N 482.901 3.774 10 40 JHCB CCOc1cccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1OCC(=O)O 409212976 SQSTXXZRZJXZRS-CXUHLZMHSA-N 460.489 3.863 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1C 409271130 JZDWZYNLNQVKSF-UCQKPKSFSA-N 485.496 3.693 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 8452969 MVDJPVCJQFLQIC-GJXXPDGXSA-N 484.559 3.738 10 40 JHCB Cc1cc(C(=O)[C@H](C)OC(=O)CN2CCSC2=O)c(C)n1-c1ccc(OC(F)F)cc1 9118844 NYYFTVZTFNFEIE-AWEZNQCLSA-N 452.479 3.979 10 40 JHCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 40221150 XRGYMNOQWOEGGX-NFBGKYEXSA-N 495.582 3.876 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1NC(=O)C(F)(F)F 100954452 GMIKPAAFBVSOLQ-XFXZXTDPSA-N 468.844 3.585 10 40 JHCB Cc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)cc1 102063256 MEHQTIIZWCGPQP-WXFUMESZSA-N 465.505 3.994 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 409266254 PLWMRVSFTKKFMT-JCMHNJIXSA-N 471.538 3.844 10 40 JHCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2n1 26441771 IEIBEMUSRLUBSN-UHFFFAOYSA-N 464.555 3.906 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 33390036 RHBLZCBATDKYGU-UNOMPAQXSA-N 492.875 3.727 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 35973995 JTSOONOKRIUKBG-QCECDVIYSA-N 472.636 3.616 10 40 JHCB COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OCC(=O)NCCc1ccccc1 36613125 ROQJYEWERSAJPH-STZFKDTASA-N 468.600 3.797 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408805758 LIOMSYYKEGCTQQ-UDWIEESQSA-N 489.440 3.554 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OCC)c3)C2=O)cc1 408805899 IBVIYMQPXNSTSJ-GZTJUZNOSA-N 486.908 3.981 10 40 JHCB CCNc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 4366940 NYGXIUUDFXQSGG-QZQOTICOSA-N 467.481 3.592 10 40 JHCB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 9411807 MNFNWOKNFOGWFD-BEWREHSGSA-N 498.605 3.726 10 40 JHCB O=C1NC(=S)S/C1=C\c1cccc(OC(=O)c2ccccc2I)c1 16449425 GTFSOCNPLYEOCF-ZROIWOOFSA-N 467.309 3.999 10 40 JHCB COCCNC(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2cc(Br)ccc21 20059389 NYXVCGCYLPYDFT-YBFXNURJSA-N 468.351 3.683 10 40 JHCB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854968 HQUMPICVTGXLKW-NRFANRHFSA-N 494.577 3.887 10 40 JHCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408778956 NNLUZVRSTUIEED-VCHYOVAHSA-N 463.406 3.883 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 504517254 KGSVEJBVASUCGS-FQJHJXCSSA-N 465.509 3.652 10 40 JHCB biogenic COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 1186632 DMGQOACPDZCETA-PTNGSMBKSA-N 467.434 3.834 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2252493 YJSDSYFAUUAGHT-IZCBMXNHSA-N 460.650 3.556 10 40 JHCB COc1ccc(-c2coc3c(CN4C[C@@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(O)ccc3c2=O)cc1 100655787 WKQHKMRCOFAVLC-HKUYNNGSSA-N 470.525 3.955 10 40 JHCB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1 223145935 GQDOOGCPOKEYAV-UHFFFAOYSA-N 471.608 3.568 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)cc1 408743671 UDORJGRKNGJKCZ-HYARGMPZSA-N 457.486 3.856 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(F)cc1 408800924 SABKSJUGSDYBKA-UDWIEESQSA-N 462.433 3.785 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1Cl 408915804 ZCOJPLMRECWSAP-NTUHNPAUSA-N 495.782 3.947 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1 9232892 ORNVBLLVKZWKSL-LUCDKTHESA-N 490.589 3.734 10 40 JHCB CCOC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35352223 RAKUDVIKKXKPBG-KPENOIPVSA-N 493.741 3.894 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccccc3)CC2)cc1 57015907 IFHDQENOIOFWNT-NTKDMRAZSA-N 471.648 3.987 10 40 JHCB COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114417 VTHICKYRHKXNAT-OAHLLOKOSA-N 494.452 3.692 10 40 JHCB biogenic CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100100409 CZZJCQPLINEEBE-VJBWXMMDSA-N 485.467 3.920 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 108234862 ZFHBNBDJWGEECV-ODLFYWEKSA-N 463.421 3.783 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 225186899 KPZLFOJHHBCZGA-AREMUKBSSA-N 493.629 3.947 10 40 JHCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1F 227023459 ZPXFEUIGIUOARN-PWRODBHTSA-N 459.404 3.660 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccccc4C)c3)CC2)cc1 408555988 BOJLNMGEFBHYAL-UHFFFAOYSA-N 495.601 3.775 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)c1 409013836 NRWPFARJFPNRLO-HYARGMPZSA-N 489.553 3.721 10 40 JHCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 409192866 GMUWUEDQVSZSMG-LZAIMSLLSA-N 465.314 3.677 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 8834819 YIWBXRFAAPBTJM-CQUHBBLWSA-N 482.635 3.701 10 40 JHCB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 9612454 WJOBXXNOYZVXCK-OAHLLOKOSA-N 458.470 3.794 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 23556028 SMHUBPCQSJGKNE-UHFFFAOYSA-N 492.359 3.991 10 40 JHCB Cc1cc(-c2csc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n2)c(C)n1-c1ccccc1 103243767 HKMWQZDSVQYWRS-ZCVTWQBDSA-N 472.570 3.963 10 40 JHCB CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 260763832 HEGFHWMILJGXCQ-HSZRJFAPSA-N 461.628 3.793 10 40 JHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCCCOC)c3ccc(Br)cc23)SC1=S 409135615 PWBNYFPXQBMKGG-MFOYZWKCSA-N 496.452 3.778 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)c4ccccc4C3=O)c2C)cc1 2661966 SUWZLWHGUJKPEQ-UHFFFAOYSA-N 460.486 3.515 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(C(=O)OC)=C2C)cc1 8872604 OGKKAIFNPWKZQX-MOSHPQCFSA-N 451.475 3.758 10 40 JHCB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(-n3c(C)ccc3C)cc2)c(=O)[nH]c1=O 9672632 ZGUUITWWERRMRK-UHFFFAOYSA-N 475.549 3.766 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(-n3nc(C)cc3C)c(OC)c2)C1=O 408530447 LUQJASBVNAUGCS-XMHGGMMESA-N 459.506 3.639 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 408932061 SOSOYJGQWDYWDF-KGENOOAVSA-N 457.486 3.856 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2309015 PKQKELHNWBQZMZ-RGVLZGJSSA-N 490.443 3.778 10 40 JHCB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1OC 12554656 YBMMXXQDNJINNG-UHFFFAOYSA-N 473.639 3.988 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(NC(C)C)nc12 16736484 LRMMMQLCOJOWGO-VBKFSLOCSA-N 474.608 3.669 10 40 JHCB CCOc1nc2ccccc2nc1N1CCC(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 33088324 CKGPGBLWMWTJFJ-UHFFFAOYSA-N 475.593 3.602 10 40 JHCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 260843405 RLUDQEPQSSYWNB-PMACEKPBSA-N 473.639 3.963 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408535345 NRJCHKOYPSGGDY-QNGOZBTKSA-N 456.454 3.889 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl 408741744 NOOXUFQTDMJQLJ-NTUHNPAUSA-N 466.700 3.842 10 40 JHCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409085250 YZVHUYYMMHZXCG-WOJGMQOQSA-N 480.951 3.613 10 40 JHCB Cn1c(=O)n(C)c2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)ccc21 832226 CHVBIARMFIOVKF-UHFFFAOYSA-N 468.538 3.625 10 40 JHCB O=C1N=C(O)/C(=C\c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C(=O)N1 3097194 OGJGGIGBMNNTFU-UHFFFAOYSA-N 471.432 3.854 10 40 JHCB Cc1cc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)ccc1Br 10113180 VDNJDARHZRBNMD-UHFFFAOYSA-N 494.455 3.830 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC 408801857 WBBKZGUHETZTTB-OQLLNIDSSA-N 475.295 3.619 10 40 JHCB CCN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S 2098881 ZMLJSOXZQYDWQO-WQRHYEAKSA-N 467.934 3.943 10 40 JHCB CCc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 8612005 VZDHWEZWHDIZSR-QFIPXVFZSA-N 454.592 3.820 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 8819379 NFIKJXJNJVPYLQ-IUXPMGMMSA-N 464.952 3.903 10 40 JHCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1 16953901 IYNBHBCRLFZTRW-QFIPXVFZSA-N 475.998 3.783 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 27530613 NFIKJXJNJVPYLQ-CAOOACKPSA-N 464.952 3.903 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)c1 408844742 FFOUYXPFWVQWIV-QGOAFFKASA-N 468.506 3.948 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)cc1 408850998 UCAZPZSKQPIHRG-LFIBNONCSA-N 474.311 3.707 10 40 JHCB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 2637787 BKSFNOZVPPZAMJ-UHFFFAOYSA-N 483.542 3.721 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1 3445509 SPLDCPHBPAUSPN-XMMPIXPASA-N 470.529 3.930 10 40 JHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 9264446 ATHKJFKGNNGDIQ-VBKFSLOCSA-N 451.891 3.660 10 40 JHCB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(N4CCCC4)cc3)Oc3ccccc32)cc1 10113629 CGJDQXYAYSLOJU-SANMLTNESA-N 491.613 3.868 10 40 JHCB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 13056721 MSCZLAAYLAOXJL-UHFFFAOYSA-N 459.933 3.876 10 40 JHCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 102558506 NTRODLQKQZVLMK-LYPXWFNGSA-N 466.881 3.502 10 40 JHCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC 409218105 YPOOHDIBKUQGQY-OCKHKDLRSA-N 473.528 3.772 10 40 JHCB O=C1C(/C=C2/Sc3nc(-c4ccccc4)cc[n+]3C2=O)=S=C2N=C(c3ccccc3)C=CN12 409415791 MPEXXUGSYDNYPY-HMMYKYKNSA-N 467.555 3.518 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 8819104 WHMFJOXUWBLLAH-MFOYZWKCSA-N 459.505 3.539 10 40 JHCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 10232913 LLKDBGLKLKMTOR-ODLFYWEKSA-N 490.990 3.684 10 40 JHCB O=C1/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 32124700 VMHISEYAVDICDB-IUXPMGMMSA-N 462.530 3.814 10 40 JHCB O=C(CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 104276005 CTRQZCVKJVXKSW-CVRGYLICSA-N 487.447 3.778 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)N3CCOCC3)SC2=S)cc1 408575862 NZYBWFWRRDJLJY-QNGOZBTKSA-N 484.599 3.729 10 40 JHCB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 409123755 HUDPJJILPBOVKO-JCMHNJIXSA-N 479.627 3.848 10 40 JHCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(S(=O)(=O)O)cc4)C3=O)n2)cc1 8386901 XIRKDQJUSOVWBL-CCWVLBSLSA-N 471.520 3.940 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccc(F)c3)c3sc4nc(C)nn4c3O)CC2)cc1 23157432 LHOOIAWHCZSBKY-FQEVSTJZSA-N 453.543 3.864 10 40 JHCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084780 WPHNHKBVXVPUTJ-DXGGMCDASA-N 450.480 3.917 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 59336647 DUHZMHIKYHYDQQ-BJMVGYQFSA-N 458.037 3.610 10 40 JHCB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(Cl)c4)c32)c(OC)c(O)c1O 66091437 BNYMNMUVBFJULL-LBPRGKRZSA-N 458.854 3.731 10 40 JHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409010312 BZEQSCLQCGGFML-PXLXIMEGSA-N 491.544 3.540 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 409192008 SFMFKUJTOCNRPS-SFQUDFHCSA-N 450.497 3.960 10 40 JHCB COc1ncccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044631 JWDPPDJZQCLLQJ-SANMLTNESA-N 467.529 3.831 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8870072 LRUDPQBCIXTJAM-CNJGYECJSA-N 479.583 3.571 10 40 JHCB COc1ccc(CC2=NN3C(=N)/C(=C\c4ccc(Br)o4)C(=O)N=C3S2)cc1OC 13778952 IHONNFYZYIQGKY-ADAOELNFSA-N 475.324 3.921 10 40 JHCB CC(C)(C)c1cc(O)c(O)c(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 16046885 YNYUCPGEORGIMC-UHFFFAOYSA-N 489.457 3.726 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)c2C)cc1 16455423 ZXKCBHNXDORLPY-AREMUKBSSA-N 477.492 3.670 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223708174 HULSDJMEMCUWAN-DNQXCXABSA-N 492.601 3.811 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)C2)cc1 260888438 ARTLEVJXMCFMRV-JTHBVZDNSA-N 469.651 3.948 10 40 JHCB CCOC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1 408994685 ZPAIITCGGKRURZ-JOCHJYFZSA-N 452.580 3.962 10 40 JHCB COC(=O)Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 409099128 SEQRSQUVRLRALW-VCHYOVAHSA-N 452.513 3.918 10 40 JHCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)c1 2965883 BLSCAKMOWADBEM-HXUWFJFHSA-N 450.378 3.637 10 40 JHCB CC(=O)Nc1ccc(Br)c2c1C(=O)c1c(NC(C)=O)ccc(Br)c1C2=O 8453776 SKKBQVLDRINRSW-UHFFFAOYSA-N 480.112 3.904 10 40 JHCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)c2C)cc1 41083829 LSUFLJVFFAFBKO-BIWIXZEJSA-N 485.591 3.504 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@H]1C 104123478 XRESMPGYVTUMSP-POTIEWHGSA-N 470.507 3.823 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1 116034555 YIIRBRPNYITEON-UHFFFAOYSA-N 455.624 3.702 10 40 JHCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223192134 BOXKUAIBMJWZBA-LOSJGSFVSA-N 490.677 3.887 10 40 JHCB CC(C)(C)N(CCO)C(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 6211746 ATNRTQVDPVVJNN-NTCAYCPXSA-N 471.442 3.660 10 40 JHCB CCCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13424035 LLOYNBZFLWBEDU-CQUHBBLWSA-N 472.636 3.619 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3Cc3ccccc3)CC2)cc1 13504656 ABMQYUCKRRIVDF-SANMLTNESA-N 470.577 3.650 10 40 JHCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1cccc(F)c1 33533106 JFUMUGCZVNOMMR-JAIQZWGSSA-N 495.894 3.967 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c(C)c1 41084364 GCRCHGQZPNWYEX-QGUUBAPPSA-N 462.579 3.620 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1 59139579 UHOCKVSPOXSJTJ-UHFFFAOYSA-N 475.364 3.635 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408880651 GMIIIYSEUJKHIH-HAHDFKILSA-N 478.545 3.980 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)N1CCCC1 409142302 XYQKHOXLJKDEMG-BRLDDBHUSA-N 455.605 3.644 10 40 JHCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2109788 WGRWGISHTMYQMW-WGDIFIGCSA-N 451.519 3.796 10 40 JHCB biogenic Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c1 6155125 WYPWYZYPZDGLGE-QGZVFWFLSA-N 477.432 3.807 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1C 9232394 KCOCLHFKJWSLDM-KGENOOAVSA-N 468.600 3.947 10 40 JHCB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9469432 VMXXHQOQKJSBGR-UHFFFAOYSA-N 458.590 3.721 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 39224238 XDOGNEFRKXUTAE-CQSZACIVSA-N 473.323 3.994 10 40 JHCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(N)(=O)=O)cc1 100525054 RYHAHWJIGSSBQB-IUBFCHALSA-N 454.537 3.641 10 40 JHCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc2ccccc12 408661159 MCBWXTVIQOYMAR-OYRHQHFDSA-N 482.536 3.884 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 408743266 RVKIHQPCZHZBNH-HAHDFKILSA-N 487.512 3.946 10 40 JHCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C(C(=O)OC)=C1C 408780353 XRQVYOMHCRWYPJ-BKUYFWCQSA-N 484.936 3.677 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2671804 MOURTYROJDBRSD-CYVLTUHYSA-N 486.663 3.867 10 40 JHCB CCc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c(Sc3ncn[nH]3)c2)cc1 8870888 HXMHWILMMLLIQF-UHFFFAOYSA-N 455.359 3.787 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 9310666 QRGTXHJJNNLYPZ-GIJQJNRQSA-N 469.519 3.705 10 40 JHCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 13371879 NOHZSAXBFDLQOZ-LPYMAVHISA-N 460.465 3.858 10 40 JHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 20287439 KBXDIWCJHURRMH-BKUYFWCQSA-N 457.458 3.503 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 54360660 NURWZFKBXVAOQE-YVLHZVERSA-N 460.508 3.850 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100157597 MUTZECGPFVTAMP-RJGXRXQPSA-N 495.487 3.558 10 40 JHCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223206872 OECIELCEVGCEAB-UIOOFZCWSA-N 491.661 3.884 10 40 JHCB CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408854806 BQCIJEJIEHVSKJ-JLHYYAGUSA-N 479.341 3.767 10 40 JHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 409021447 HZPRBZOOHCZVKA-QNGOZBTKSA-N 451.519 3.983 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 5494125 ZLPDFOZLOKQVSV-LGVFNWMJSA-N 468.575 3.711 10 40 JHCB COc1ccc(N2CCN(CN3C(=O)C4(OCC5(CO4)C[C@@H]4C=C[C@@H]5C4)c4ccccc43)CC2)cc1 100192938 YSQVFHTXSMATQB-RGHCOQMCSA-N 487.600 3.604 10 40 JHCB COc1ccccc1-c1coc2c(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc2c1=O 100655766 PXOCXEJSQLPICL-ROUUACIJSA-N 470.525 3.955 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 408775812 UZGRNVFBOKIRRW-FOWTUZBSSA-N 460.471 3.982 10 40 JHCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408903587 TWSOSPFDKWCWGG-XSFVSMFZSA-N 479.334 3.972 10 40 JHCB Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)c(=O)n(-c2ccccc2)n1C 8819255 JODPKVXSBAARRA-XMHGGMMESA-N 496.589 3.854 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)c2C)cc1C 12557791 DHMZUCAGEATZOB-OAQYLSRUSA-N 495.649 3.874 10 40 JHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862059 CDYCBOBSXDNMEZ-XPWALMASSA-N 458.474 3.712 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 225528031 URACCTSKQYTFPP-RUZDIDTESA-N 479.602 3.806 10 40 JHCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1[N+](=O)[O-] 408526437 BYYFHXRCKUUMGG-WQLSENKSSA-N 471.271 3.966 10 40 JHCB CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408538262 ZRFKURAQJZXEBV-DHDCSXOGSA-N 463.671 3.694 10 40 JHCB CCOC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1 408994686 ZPAIITCGGKRURZ-QFIPXVFZSA-N 452.580 3.962 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 9607761 QHORHKKIMLOBMR-MHZLTWQESA-N 462.594 3.579 10 40 JHCB COc1ccc(NS(=O)(=O)c2ccc(NNC(=S)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 9631076 JXVNQXWVOXSWEI-UHFFFAOYSA-N 491.526 3.857 10 40 JHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1Cl 13008129 NDDMUVHWECNQTP-QHCPKHFHSA-N 455.002 3.923 10 40 JHCB COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665530 NDSOJMBVNIXDOM-AREMUKBSSA-N 488.632 3.820 10 40 JHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 58865843 QQDCCSIYYVBXLH-UHFFFAOYSA-N 473.459 3.506 10 40 JHCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408533531 SVRLNVNBAKLZJI-WJDWOHSUSA-N 454.328 3.666 10 40 JHCB COc1ncccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044630 JWDPPDJZQCLLQJ-AREMUKBSSA-N 467.529 3.831 10 40 JHCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9311754 IKDCNETVMZNMJB-LDADJPATSA-N 472.504 3.745 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13643892 BOIXKDCOXJAIRB-WJSVYJGMSA-N 486.663 3.723 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 33722591 VJZVCOBOBJNWCB-BOPFTXTBSA-N 495.894 3.967 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)cc1 41084921 DCLUNKRDBSMWOL-MGTNDIQKSA-N 463.519 3.796 10 40 JHCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1ccc(Cl)cc1 104124051 QBYVQVCDJSUMGT-HNQMNILESA-N 486.941 3.919 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223185814 BGQRKZJDAZEEAI-IZZNHLLZSA-N 491.661 3.890 10 40 JHCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)cc1 409222271 BZHCNDFUWHEAIR-DEDYPNTBSA-N 491.887 3.730 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C(=O)NC1=S 409244570 FQMYCAFFQVGAPO-DEDYPNTBSA-N 459.527 3.932 10 40 JHCB COc1cc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc(OC)c1OC 8828445 UWQDLJPXHRUBNA-ZDLGFXPLSA-N 469.544 3.740 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Br)cc1Cl 11432574 ZCBYJGYGXGVMKG-UHFFFAOYSA-N 453.764 3.977 10 40 JHCB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccccc4)n3)CC2)cc1 15880536 RYUVGMKOAIVCKA-UHFFFAOYSA-N 451.552 3.687 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 59536558 ZULGMYFYAVHLAR-UHFFFAOYSA-N 477.286 3.610 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])c(C)c3)C2=O)c(C)cc1Br 408531763 LMULTTPSPLNSHZ-NTEUORMPSA-N 473.283 3.861 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408815550 XDGLVWRTDKEJQO-DEDYPNTBSA-N 459.414 3.546 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 408903091 PCHRXRBDFAVOME-XDHOZWIPSA-N 461.405 3.979 10 40 JHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409020555 QKMSLAIEDUNFFW-HZHRSRAPSA-N 492.553 3.944 10 40 JHCB CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 15831160 PHIKQQLAJVKJIP-NRFANRHFSA-N 482.602 3.777 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccc(OC)c3OC)c3nnnn3C3CCCC3)CC2)cc1 19556473 WENHBUMRGCQHJF-XMMPIXPASA-N 478.597 3.726 10 40 JHCB Cc1cc(C(=O)COC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)c(C)n1-c1ccc(Cl)cc1 32873898 JDAMNQUNCOHTFM-UHFFFAOYSA-N 494.979 3.884 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I 408781362 CKOMMMNNURIKMN-XNTDXEJSSA-N 476.270 3.665 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409138037 ZAAFEGRVDDMMRC-HPKGMJOESA-N 457.621 3.720 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC 409145747 RJDKOOSODIPPPL-LDADJPATSA-N 468.506 3.553 10 40 JHCB COc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1Cl 48990231 LBXLFEUCPNIUMP-UHFFFAOYSA-N 469.346 3.628 10 40 JHCB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96113934 UTLJGMMEUUYQAS-CYBMUJFWSA-N 460.394 3.747 10 40 JHCB biogenic COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223142780 CQMACFKSPZQZOU-UIOOFZCWSA-N 491.661 3.802 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc2c(c1)OCO2 223621035 MWDFPXSVPVATGS-XZOQPEGZSA-N 450.564 3.573 10 40 JHCB CCCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2331932 YBQRTQVJOWMBPK-PEZBUJJGSA-N 460.650 3.639 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1 9635023 LOYAXMWRJWFVFO-XMMPIXPASA-N 498.539 3.708 10 40 JHCB CCOc1ccc(CCNC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1OCC 10645029 ZRHIURTYMWKCDK-UHFFFAOYSA-N 471.579 3.808 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)c2C)cc1F 12522913 FKLGOVCBCRGKNW-UHFFFAOYSA-N 488.441 3.852 10 40 JHCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@H]2C)cc1 35363902 HORBAYPOSKXLJO-NYHHIPPXSA-N 454.611 3.731 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223034488 JUJMSMYSTOBPNK-XZOQPEGZSA-N 464.591 3.895 10 40 JHCB O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Br)c2)C(=O)N1 408885901 GONDSDVCZBLKBZ-UHFFFAOYSA-N 480.112 3.540 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409246163 FWEPNBLWQFGULC-RVDMUPIBSA-N 471.966 3.789 10 40 JHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 20287284 SEXPPZQLMZPMJC-JWGURIENSA-N 468.535 3.825 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1ccc(O)c(O)c1 54360663 JGOHNIDUDGSKCZ-PDGQHHTCSA-N 462.980 3.701 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 102782353 IKEAXQUWETZWMG-VYUAFQCHSA-N 495.535 3.698 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 104090803 YELXRFXLPAPXNK-NFFVOIMASA-N 455.525 3.522 10 40 JHCB CN1CCN(c2ccc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)CC1 225589031 WEFIYCLTHLVSQA-UHFFFAOYSA-N 459.009 3.759 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCC3)ccc21 9135613 FLTVJWIXGLIDHF-QFIPXVFZSA-N 474.527 3.980 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)cc1O 9323525 TYYSELYEKIZEQM-QPEQYQDCSA-N 461.337 3.611 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 16692408 WHCWQIYHLQLUDD-AQTBWJFISA-N 456.545 3.799 10 40 JHCB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734736 VRYQZAQQGKCPDL-SANMLTNESA-N 450.627 3.575 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1 22929317 WSMUYDJLCPMXNZ-SANMLTNESA-N 477.632 3.966 10 40 JHCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 41077829 VXRJPSJGHNHTIX-WUVMMTAUSA-N 488.978 3.849 10 40 JHCB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 101087225 GHWKPAAMHDFKFG-DNVJHFABSA-N 485.467 3.920 10 40 JHCB CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1 103111430 FNTAFDXQERDIIK-LTGZKZEYSA-N 480.521 3.613 10 40 JHCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408532024 HXCBZAJPXTWNMZ-WJDWOHSUSA-N 457.280 3.739 10 40 JHCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409392160 LQBKZRAZIXIXIC-KMHUVPDISA-N 474.311 3.696 10 40 JHCB COc1cc(NS(=O)(=O)c2ccccc2)c2c3c(c(C(C)=O)c(=O)[nH]c13)-c1ccccc1C2=O 6142901 CHRVDAQQWWVGED-UHFFFAOYSA-N 474.494 3.752 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(/C=C/c3nc4ccccc4[nH]c3=O)C2=O)cc1OC 8665214 FKFQTEVLSPYHGD-JWUNXQOUSA-N 451.529 3.812 10 40 JHCB O=C1N=C(S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 9046095 HKYQEALLZOKJMH-BENRWUELSA-N 452.319 3.666 10 40 JHCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 9424639 SBJPGCMEQJCVSB-FEGZGKEQSA-N 474.590 3.785 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1Br 11571527 WBIPITSJQSPTJS-UHFFFAOYSA-N 453.764 3.977 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(OC)c(OC)c4)SC3=NC2=O)ccc1O 13510881 FDBPMKNJTPWXJD-MFLZVPQXSA-N 466.519 3.670 10 40 JHCB CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccc(Br)cc23)C(=O)N(C)C1=O 59087252 JOUHOMVQPBAZHK-UHFFFAOYSA-N 452.308 3.886 10 40 JHCB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136121 IBEKYGWMVMWESK-KPKJPENVSA-N 478.885 3.711 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 102229046 LKEYFORHKHFQPX-OALUTQOASA-N 488.487 3.597 10 40 JHCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccccc1C 104124210 WITQEAPGFUVEIQ-WTVYTQLBSA-N 451.508 3.871 10 40 JHCB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N2CCCCC2)cc1 225472279 UWKYTOSYOFOILO-FQEVSTJZSA-N 455.624 3.955 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408692464 NAYNKLXGBQNMGV-DEDYPNTBSA-N 479.489 3.977 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409189217 MXUNVNCKVZVAEI-RGVLZGJSSA-N 490.497 3.532 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)cc(OC)c2OC)C1=O 409224532 ICRRGCMMUNDUJP-GXDHUFHOSA-N 475.295 3.531 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9754508 DBBFMALKBIIELM-SANMLTNESA-N 459.502 3.515 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 26531690 IKJZOSHZSFGXNE-NGUZXEMTSA-N 498.674 3.865 10 40 JHCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 408790889 UGQDQYCFAYTYAJ-JLPGSUDCSA-N 456.571 3.701 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408935630 DGKQJJQBZNZCGA-FYJGNVAPSA-N 488.412 3.748 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 409251057 ZTZMAQGLNUEAQF-MHWRWJLKSA-N 476.316 3.505 10 40 JHCB Cc1cccc(C)c1-n1nnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 12633291 NWNFSFBCFNVMKX-JOCHJYFZSA-N 480.638 3.645 10 40 JHCB Cc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O 35855628 DZPGGQKWPDGVDA-PISWEHOVSA-N 493.610 3.881 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc1OCC 409195473 VDCJYJRQXPVDRB-CXUHLZMHSA-N 488.924 3.904 10 40 JHCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)CC2)cc1 409379583 XYNCYPXMYUVINH-UHFFFAOYSA-N 495.601 3.532 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2430242 DXNAAWKMBWLQRF-VBKFSLOCSA-N 473.963 3.988 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=O)cc1 6405189 QVSRAGZAQNWNRR-UYRXBGFRSA-N 466.291 3.915 10 40 JHCB CCOC(=O)c1oc2c(CN3CCC[C@@H]3C(=O)O)c(O)ccc2c(=O)c1Oc1ccccc1 9043030 ZJWJQZNEDYLNOO-QGZVFWFLSA-N 453.447 3.517 10 40 JHCB biogenic CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 100421946 LEGPEBKOBIHWOJ-IMBSWCNGSA-N 493.604 3.703 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br 409236211 RZIHJKZLDYSMQN-DHZHZOJOSA-N 451.729 3.942 10 40 JHCB COc1cc(NS(=O)(=O)c2ccc(N[C@H](C)c3ccc4cccnc4c3O)cc2)nc(OC)n1 5614334 CVDLHJRZFLCRCM-CQSZACIVSA-N 481.534 3.722 10 40 JHCB COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc(OC)c1OC 16838190 PZQXJEFMPIYCKB-QFIPXVFZSA-N 453.583 3.662 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 33498130 MLEHGCIJNJLJAZ-MOSHPQCFSA-N 460.402 3.543 10 40 JHCB COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96115856 CLAFEYSEICVBNZ-MRXNPFEDSA-N 488.448 3.864 10 40 JHCB biogenic Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 229921663 JMVHJZVLXNTUQY-QTEQDKRBSA-N 454.548 3.541 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408880182 GJEQWWGGRUQEBQ-VIZOYTHASA-N 496.688 3.928 10 40 JHCB Cc1cc(C(=O)[C@H](C)OC(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc(Cl)cc1 9118438 CDZVKDSSVZDQEG-AWEZNQCLSA-N 459.959 3.976 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(I)cc1 9264928 INIYZOVDDRPWDY-OVCLIPMQSA-N 482.299 3.820 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 16700513 JTSOONOKRIUKBG-YHRLDGCVSA-N 472.636 3.616 10 40 JHCB COc1ccc(N2CCN(CCNc3nc(=S)[nH]c4cc(OC)c(OC)cc34)CC2)cc1 20214791 SBTDQWODSRCLGF-UHFFFAOYSA-N 455.584 3.552 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c(Br)cc1O 33337932 IAYNGTQGQNNCQQ-NVNXTCNLSA-N 465.350 3.710 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OC(=O)c1ccco1 33664970 UHWMQSFOGHSWKY-FOWTUZBSSA-N 453.248 3.723 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Cl)c1OCC(=O)O 59136119 OAVHSNDNUDZOAQ-IZZDOVSWSA-N 464.858 3.623 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(F)cc2)OC32C(=O)c3ccccc3C2=O)cc1 101902658 MSJQZPSUCIJXDT-YPAWHYETSA-N 471.440 3.529 10 40 JHCB COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 107741927 JQSYDAQUAQOMFE-CYVLTUHYSA-N 487.537 3.544 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OC 408918636 NATQAIYUDRCXKG-ZSOIEALJSA-N 479.327 3.827 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 409053962 FCAQOHGCQZFUAU-HYARGMPZSA-N 499.523 3.996 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C(=O)NC1=S 409174871 WPFBUTGGECHATF-KGENOOAVSA-N 488.569 3.892 10 40 JHCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(I)cc1 2322295 HALDUIJZFSOKLA-CQSZACIVSA-N 452.273 3.888 10 40 JHCB NC(=O)[C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c2ccccc2O1 9465026 SDWAHNAVVIHUHU-KVACCUTFSA-N 464.525 3.891 10 40 JHCB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3cc(C)n(-c4ccccc4F)c3C)c(=O)c12 19432090 QFXZHYBAGUJZDJ-UHFFFAOYSA-N 451.454 3.904 10 40 JHCB COCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(Cl)ccc21 23077358 LRGVWHWGOFDXIG-UHFFFAOYSA-N 475.014 3.786 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1O 110422653 AHTBKXRKVMHOAP-QGMBQPNBSA-N 474.604 3.858 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 408938737 RIMCCXANSUQBIY-HMAPJEAMSA-N 473.441 3.849 10 40 JHCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)c1 409108937 YXKIBJFEDIAPNF-BKQORJHRSA-N 456.520 3.787 10 40 JHCB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10059030 NNJASSVXGNYYOE-UHFFFAOYSA-N 458.455 3.977 10 40 JHCB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 12696929 RMFLQMOBEDFAKP-UHFFFAOYSA-N 467.591 3.640 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 16195114 FKHBPIKBLYMYAC-QPEQYQDCSA-N 465.687 3.786 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1cccc(F)c1 33498128 WVMDFIWROXODHS-ODLFYWEKSA-N 465.868 3.958 10 40 JHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)N1CCCc2ccccc21 96191240 LPFGYKQAISKTTN-DEDYPNTBSA-N 454.573 3.932 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 104090798 YELXRFXLPAPXNK-KTVWJZFRSA-N 455.525 3.522 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(F)c1 223140197 SGVFWQJMXVFESN-LOSJGSFVSA-N 479.625 3.933 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223655276 BQOJUCMLDXECCC-GOTSBHOMSA-N 478.574 3.723 10 40 JHCB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408538225 ZHQQBUHMWQTOPK-YCAVEVFUSA-N 456.498 3.956 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cccs1 409057238 VECAFMOVKCOHML-QFVBLGFASA-N 493.654 3.768 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCn4ccnc4)c4ccccc34)[C@@H]21 1565524732 MKCSDXNFKIINMA-HHHXNRCGSA-N 482.588 3.581 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/NCCc1c[nH]c2ccccc12 2792962 VGPDYRJTNNVDGZ-SDNWHVSQSA-N 459.358 3.939 10 40 JHCB CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(O)c(O)c2)N[C@H]1c1ccc(OC)cc1 6227869 AZQWSOIPETVAMG-NRFANRHFSA-N 456.520 3.560 10 40 JHCB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3(C)C 9429607 XGMCBYABXRUNEW-QFIPXVFZSA-N 481.936 3.625 10 40 JHCB Cc1cccc(C)c1-n1nnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 12633288 NWNFSFBCFNVMKX-QFIPXVFZSA-N 480.638 3.645 10 40 JHCB CN1CCN([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)CCCN3C)CC1 22734745 CPWPOJNHXGBVCC-QHCPKHFHSA-N 460.544 3.806 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 22757837 ICFSGODBETXKSV-KMDXXIMOSA-N 497.503 3.707 10 40 JHCB COc1cc(CNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc(OC)c1OC 28441134 UFJLOLYNUJJEGY-UHFFFAOYSA-N 452.507 3.821 10 40 JHCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1F 33541005 YZVBCEDTCAFPSG-LDADJPATSA-N 495.894 3.967 10 40 JHCB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)OC3(CCCCC3)OC2=O)C1 59489874 ZLWVSLUQVLSZTI-GOSISDBHSA-N 499.564 3.823 10 40 JHCB CCOc1cc(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408885002 WPOCPHGTQPGBJD-YBEGLDIGSA-N 478.311 3.521 10 40 JHCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C 408911649 AXLXXEYMPDZYCY-DEDYPNTBSA-N 459.527 3.932 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N2CCc3ccccc3C2)cc1 16914923 HSOYRPGDUKGDES-VWLOTQADSA-N 453.583 3.970 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 18181628 FOSKOAPDTTZQEB-FKBYEOEOSA-N 455.441 3.829 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccccc1)[C@]21SC(=S)N(Cc2ccco2)C1=O 102776984 MPVNNLAKGHBISK-RFLWCCGPSA-N 489.622 3.980 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223636150 VUFVBUYPHJMEQV-PKTZIBPZSA-N 464.591 3.631 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(O)c(OCC)c2)C1=O 409229560 RAJQNZMAOXQPFW-UKTHLTGXSA-N 475.295 3.619 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)cc1 409269074 DOYBYUJJSFHVLT-JCMHNJIXSA-N 471.538 3.844 10 40 JHCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O 688914 JUAQKMVQBFGDJJ-GDNBJRDFSA-N 471.300 3.653 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c1 9465419 JRSDOGDTIYRVIW-YBEGLDIGSA-N 474.380 3.745 10 40 JHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 169688904 BJJVWVVNARMKBX-XPWALMASSA-N 458.474 3.712 10 40 JHCB COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408527378 DJUWILFOYUUJAJ-UKTHLTGXSA-N 489.282 3.562 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409095133 GVJBCSIPPLUJGF-VCHYOVAHSA-N 474.516 3.858 10 40 JHCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2cccc(O)c2O)c1 36365367 PHSRKRUOWIGMGG-JOCHJYFZSA-N 480.524 3.929 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(OC)cc4OC)ncn3)CC2)cc1 49006802 GOUCYXNTHLQEID-UHFFFAOYSA-N 495.605 3.560 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 59139591 ABTZNQAPUDFQGE-UHFFFAOYSA-N 489.391 3.944 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 408858379 RUGIKUJITXWXRU-VXLYETTFSA-N 490.443 3.808 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)NC2=S)c(OC)c1 409069699 XEQDNCAJOWVWCB-DEDYPNTBSA-N 461.543 3.943 10 40 JHCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(I)ccc2O)N3)C1 8927637 LQGFNZSXTQKHSN-OAHLLOKOSA-N 455.321 3.865 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)CC2)cc1 9434345 OZVZNZNKVGUSOV-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 20206061 SOEQSSOYESWLBI-IHCXJTTMSA-N 469.331 3.875 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1 41085012 ZDHVGABMXRIPGC-BTSLSPDOSA-N 491.573 3.825 10 40 JHCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OC(C)=O 58865801 XIMBYTIYSMYAFY-UHFFFAOYSA-N 453.285 3.917 10 40 JHCB COc1ccc(N2CCN(C(=O)CN3C(=O)CC(c4ccccc4)=Nc4ccccc43)CC2)cc1 101354183 RBTNBIWGEKEBSG-UHFFFAOYSA-N 468.557 3.902 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223014463 QFRDSLDXIDMHOL-DHIUTWEWSA-N 450.564 3.837 10 40 JHCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408536870 SWGVSBIRNMYRKR-RAXLEYEMSA-N 461.243 3.570 10 40 JHCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 1792353 ALZCHYCYAJVRQL-DLBLZJNESA-N 475.614 3.561 10 40 JHCB COc1cc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1OC 15015250 IELFYYZXZWXSEL-QNGOZBTKSA-N 453.564 3.501 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)cc1 209562312 NIKHBTDCEFMQGY-STZFKDTASA-N 457.486 3.856 10 40 JHCB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3)C2=O)c1C 408536662 XECWCEHECUPNLG-NTEUORMPSA-N 459.256 3.553 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408768339 WISPMDUYASPOHT-KQWNVCNZSA-N 462.546 3.505 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1cc(C)cc(C)c1 408874500 CRCCAFICQOUPES-UHFFFAOYSA-N 473.392 3.970 10 40 JHCB CN1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)NC1=S 408912211 PZKAYUUYSCUEML-MDWZMJQESA-N 451.382 3.662 10 40 JHCB O=C(COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccccc1Cl 409261453 CCWGYYRSVKLWDW-UHFFFAOYSA-N 484.748 3.579 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 409341882 CEZFYGBNSRLDPQ-YVLHZVERSA-N 460.489 3.863 10 40 JHCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1N1CCOCC1 8819008 ACKDQFHZWQBJMB-MHWRWJLKSA-N 451.913 3.957 10 40 JHCB C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 54360716 DVFNXLPRMLNTJJ-SYEOYNTFSA-N 462.936 3.972 10 40 JHCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 408530883 MYVIBQOZTZSFPB-SAPNQHFASA-N 484.516 3.847 10 40 JHCB CC[C@H](C)Oc1c(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cccc1OC 409015551 RLQZMNCMKCFJKJ-IMGOXIFKSA-N 452.507 3.898 10 40 JHCB COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 9910388 OCXCZQWAADKTIL-UHFFFAOYSA-N 488.588 3.855 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1I 408553362 YCBBLAGXUSWHQS-MDWZMJQESA-N 468.703 3.776 10 40 JHCB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408670765 YCABJHASVILVAR-ONTIZHBOSA-N 480.948 3.693 10 40 JHCB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 1261638 QQICFMVNAIKSAC-CQSZACIVSA-N 473.190 3.821 10 40 JHCB COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C\c4cccs4)SC3=S)c[nH]c2c1 10434572 SDRSWPFCHXVHKX-VCHYOVAHSA-N 457.602 3.798 10 40 JHCB COc1ccc(N2CCN(CN3C(=O)NC(Cc4ccccc4)(Cc4ccccc4)C3=O)CC2)cc1 23936851 SNWWHRQXLRSXES-UHFFFAOYSA-N 484.600 3.551 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 408901647 ZKAVPKBRONPSLI-WOJGMQOQSA-N 474.429 3.766 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)CC2)cc1 408927601 YBXWBTXDCMMQEN-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409069922 JXMZGGLRTMSTOE-XSFVSMFZSA-N 482.901 3.774 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCn4ccnc4)c4ccccc34)[C@H]21 1565524733 MKCSDXNFKIINMA-MHZLTWQESA-N 482.588 3.581 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1O 9296258 URSSYTGVWGUGBU-KSSSLANASA-N 491.372 3.776 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 13879948 GMLIEKHODFZISX-LDADJPATSA-N 468.332 3.777 10 40 JHCB CCOc1cccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)c1O 14414385 JROCHBSITRTBFI-CYVLTUHYSA-N 467.518 3.723 10 40 JHCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)OC(C)C)cc1 33732955 UIGROZHKDKMZGP-IWIPYMOSSA-N 473.529 3.886 10 40 JHCB Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21 41077869 FJBVILLLVNQULV-MHHBVAOCSA-N 477.571 3.619 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 100705134 QIYAGGMHLSUSOD-XPWALMASSA-N 451.478 3.999 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2C)OC32C(=O)c3ccccc3C2=O)cc1 101099850 OXUIUSNSOPMBHV-DNVJHFABSA-N 467.477 3.699 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222994859 CJYFQPBMYKCLDC-FTJBHMTQSA-N 491.661 3.945 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc(Cl)c1 408875348 DRRMMVSZJQDYMR-UHFFFAOYSA-N 495.782 3.995 10 40 JHCB O=C1NC(=O)C(=Cc2c(OCc3ccccc3Br)ccc3ccccc23)C(=O)N1 408898006 JRSLYHVTTCIJMZ-UHFFFAOYSA-N 451.276 3.931 10 40 JHCB O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409046100 INDQCVPMQMYCIN-WUXMJOGZSA-N 469.664 3.777 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8721393 BEDLJFQCKOWGMI-AREMUKBSSA-N 477.492 3.654 10 40 JHCB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 21786742 CVMZIXRJONVJGW-NRFANRHFSA-N 483.590 3.636 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 54360702 HIOHGXVHFBEMKX-YVLHZVERSA-N 460.508 3.850 10 40 JHCB C[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 253571802 PKMFCOXSWVRCGE-GMWXCSQMSA-N 465.505 3.808 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 409105398 NDFIQRPOUIIWLS-DJKKODMXSA-N 473.507 3.999 10 40 JHCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 1105838 LRGAGQXSEIRUFN-JCMHNJIXSA-N 487.585 3.716 10 40 JHCB NC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 9224023 BNZAJKQOZGQDNX-IWGBCORSSA-N 456.527 3.894 10 40 JHCB CN(C)c1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9424717 QNJWOFJSDLMNSJ-JOCHJYFZSA-N 458.624 3.645 10 40 JHCB CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18181131 CZZJCQPLINEEBE-VABKMULXSA-N 485.467 3.920 10 40 JHCB O=C(C1=CN(c2ccc(Br)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 21359508 JFJAFTLTWTVXJM-UHFFFAOYSA-N 451.317 3.977 10 40 JHCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccccc1C 43910667 WITQEAPGFUVEIQ-WHEOYJBGSA-N 451.508 3.871 10 40 JHCB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1O)c1ccc(Cl)cc1 95482148 HAZNRRKBBWBUEP-UHFFFAOYSA-N 470.934 3.814 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c(OC)c1 408947478 QDCSDEPCSRLDDL-LDADJPATSA-N 451.866 3.814 10 40 JHCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NCc1ccccc1 9864873 JWOHBWNYRTXYAE-UHFFFAOYSA-N 493.629 3.582 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3cc4ccccc4[nH]c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 27023547 RSYNZAJHHSFPAH-CPNJWEJPSA-N 474.567 3.732 10 40 JHCB COc1cc(C)ccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O 41085087 SVBZDDURGRPZRV-NMAWJPFASA-N 478.578 3.557 10 40 JHCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1 408526641 CVJJDGGTNDBIMR-LGMDPLHJSA-N 479.972 3.701 10 40 JHCB O=C(NN1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S)c1ccccc1 409178219 FPYGIHUNGVDGFK-CPNJWEJPSA-N 464.528 3.991 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCO5)C3=O)c2C)cc1 9128393 HJVWCKGSIVGFMF-HHHXNRCGSA-N 473.529 3.824 10 40 JHCB CCOC(=O)[C@@H]1[C@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11859280 NSBZBUNSBUCZCD-IPJJNNNSSA-N 481.540 3.662 10 40 JHCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 13618610 OOSUKMUSNAOKAI-VBZCHTSKSA-N 498.674 3.865 10 40 JHCB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 16185255 BHBAZUZASBSVAX-HNNXBMFYSA-N 452.330 3.585 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC 408955160 SZQYJBAORQYECO-VGOFMYFVSA-N 458.854 3.533 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409145290 NKAVHWMDUFEVIR-HYARGMPZSA-N 457.486 3.543 10 40 JHCB CN(CCCC(=O)n1cnc2ccccc21)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383415 AOEQCTKXIVHVOC-UHFFFAOYSA-N 487.537 3.553 10 40 JHCB COc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)N2CCN(c3ccc(OC)cc3)CC2)cc1 13505021 AGRCQKXZJMJPLX-AREMUKBSSA-N 488.567 3.789 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S 13940344 GMOCJLLFVSOVGS-JXMROGBWSA-N 472.691 3.677 10 40 JHCB CCOc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18181890 GHWKPAAMHDFKFG-VJBWXMMDSA-N 485.467 3.920 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O 9323243 KFGLZGNHJUYABR-MDWZMJQESA-N 461.337 3.693 10 40 JHCB COc1ccc(N2CCN([C@H](CNC(=O)c3cccs3)c3ccc4c(c3)OCO4)CC2)cc1 22851379 BUQKXNHWQOGJOI-OAQYLSRUSA-N 465.575 3.779 10 40 JHCB COC(=O)C[C@@H](c1ccc(F)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96222372 KTQUUMDHURNNDU-AWEZNQCLSA-N 482.416 3.822 10 40 JHCB biogenic CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1c(Br)cc(Br)cc1Br 100525397 WXEYTYTXGFLWAZ-HEKIWLDQSA-N 497.998 3.888 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F 108131319 WLIPGGXJNMWAKY-ATVHPVEESA-N 465.868 3.958 10 40 JHCB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCCC2)cc1 260903908 QYRNCZZZANBANK-IRLDBZIGSA-N 455.624 3.955 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1 409262624 IISMKPLGZXQLRD-QNGOZBTKSA-N 457.511 3.535 10 40 JHCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2356417 CVSFTVJFPSIBSI-CYVLTUHYSA-N 485.679 3.536 10 40 JHCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223142667 CQMACFKSPZQZOU-FTJBHMTQSA-N 491.661 3.802 10 40 JHCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 408780596 FVQCZJXFVVMXPQ-VGOFMYFVSA-N 463.273 3.520 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 408956451 WUMAURVLBFVGKB-RGVLZGJSSA-N 460.417 3.800 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 409078399 CHTGPWGDOMMQRK-UHFFFAOYSA-N 455.732 3.809 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1O 409134892 OQRSHHDBMCTIOK-NTUHNPAUSA-N 461.337 3.611 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1N1CCOCC1 409235395 PCEFBAQDRMFCOH-UDWIEESQSA-N 455.511 3.646 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(OC)cc3OC)c3nnnn3C3CCCC3)CC2)cc1 13503921 ONSXTVGDNAICNU-RUZDIDTESA-N 478.597 3.726 10 40 JHCB CCOc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18249544 GRFMIDRYNOVTIM-VJBWXMMDSA-N 467.477 3.780 10 40 JHCB CN1C[C@@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 102773350 WNNPRGGVTYMKOL-QTLGCAHFSA-N 475.595 3.956 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 223543273 VDRZYOAWYUEKPC-QHCPKHFHSA-N 473.639 3.674 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C 408603526 RMYHYWFCELAYRC-UNOMPAQXSA-N 486.571 3.572 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408766626 DOLSKRXMCPOPAJ-NTUHNPAUSA-N 465.687 3.786 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408791344 WFCYBJHTPVXOBO-UNOMPAQXSA-N 453.491 3.988 10 40 JHCB N=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 6059696 CCLXMTDQLQOYHG-XVKZYXQSSA-N 480.449 3.636 10 40 JHCB COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)ccc1OCC(N)=O 9471213 GVIJSZOVWVCOSM-UHFFFAOYSA-N 464.518 3.623 10 40 JHCB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 44803835 WDRMZWWLARVSLM-NRFANRHFSA-N 489.620 3.992 10 40 JHCB COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 57548576 HWARVWQKNLSGOI-UHFFFAOYSA-N 474.561 3.717 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1 59418057 WWDSULBQUGCDET-UHFFFAOYSA-N 498.102 3.679 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C(=O)O)cc1 223270725 KWALLZACVMLYAZ-XZOQPEGZSA-N 463.607 3.721 10 40 JHCB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 250985284 KVOSZFRDQRAWBI-BHDDXSALSA-N 455.441 3.829 10 40 JHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)N(c2ccccc2)C1=O 409012809 LAOYWCNUAYHRET-KQWNVCNZSA-N 459.502 3.825 10 40 JHCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)ccc2OCC(=O)O)SC1=S 409207452 XFXORMQJNVJSJD-OVCLIPMQSA-N 467.366 3.868 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 8772088 OHTUEZHHJSLYBA-LHFDLFKZSA-N 480.615 3.840 10 40 JHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCCc2ccccc21 96191217 LECPZFHCGIJCTP-DEDYPNTBSA-N 454.573 3.884 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100671321 ATTNVRVIUGFYAF-FKBYEOEOSA-N 482.448 3.598 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2O)N[C@]3(Cc2c[nH]c3ccccc23)C(=O)O)c1 102782614 PMFCFDUUWAOEOT-IKOOFXLXSA-N 495.535 3.698 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408534614 MKLIUEALXUOWET-YUGRWAOKSA-N 460.486 3.565 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408872601 HASXEZNSRATEHK-CXUHLZMHSA-N 476.270 3.583 10 40 JHCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 409197785 OVBICQUTXJBRIC-HKOYGPOVSA-N 490.629 3.980 10 40 JHCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(C(=O)OC)=C1C 2076077 DQLFIGYFHBSOBV-KQWNVCNZSA-N 478.545 3.722 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 2260339 YPHZTPKTPYPYBJ-MHWRWJLKSA-N 464.952 3.912 10 40 JHCB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 9630686 YQCYHCRLGYZYTQ-UHFFFAOYSA-N 470.481 3.673 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O 408983931 ONOXRHCPGHDVFK-NSIKDUERSA-N 493.299 3.830 10 40 JHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)c1 409018993 ZWEIFNLKCGCVJO-LPYMAVHISA-N 472.570 3.641 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 409350664 YRKBGEHYIGTSJA-UYRXBGFRSA-N 480.527 3.940 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCSCC3)nc12 2341821 UXXUZDOIZPLTIZ-RGEXLXHISA-N 494.667 3.958 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4cc3OC)CC2)c([N+](=O)[O-])c1 8832693 JVOSYQYUGXAGNT-UHFFFAOYSA-N 480.546 3.602 10 40 JHCB O=C1OCC/C1=C\c1ccccc1OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 9304839 XFUJOUBTMREXOB-FYWRMAATSA-N 469.405 3.920 10 40 JHCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 12561214 ZHMGUAZHAWZEFP-UHFFFAOYSA-N 474.538 3.889 10 40 JHCB O=C(/C=C/[C@H]1CC=CCC1)Oc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13800505 IMPCYPFETZEDOE-DKFVQEJFSA-N 489.640 3.893 10 40 JHCB O=C1[C@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 18067805 JQFKTQNTCKOMTK-HJOGWXRNSA-N 478.504 3.881 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102739432 GPSBPCRAJCYULB-KMDXXIMOSA-N 488.500 3.721 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1 408870994 WPQNNJYCHHWPMK-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 408913569 VMDWTRKBMAPOGV-VGOFMYFVSA-N 495.782 3.947 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)c1 409244204 ZLCAIQLTLYOHGV-XKZIYDEJSA-N 474.517 3.643 10 40 JHCB Cc1cc(C(=O)COC(=O)Cn2c(=O)cnc3ccccc32)c(C)n1-c1ccc(Br)cc1 21468142 AEPPVZFAHONJON-UHFFFAOYSA-N 494.345 3.993 10 40 JHCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 108824618 IKDCNETVMZNMJB-PDGQHHTCSA-N 472.504 3.745 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223657482 HSUOQGBUAWWHGN-ZEQRLZLVSA-N 478.574 3.753 10 40 JHCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 13617696 BEOQYAJJVZDJGB-JZJYNLBNSA-N 499.706 3.926 10 40 JHCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1 16953903 IYNBHBCRLFZTRW-JOCHJYFZSA-N 475.998 3.783 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc4c(O)nc5c(-c6ccc(F)cc6)nnn5c4c3)CC2)cc1 21867542 MCHSPFCVJOKKPI-UHFFFAOYSA-N 498.518 3.760 10 40 JHCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 35201209 JWYZXEFTLHJFEV-YYTPVVGHSA-N 462.287 3.930 10 40 JHCB Cc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O 102776477 DZPGGQKWPDGVDA-ZYKLXPEUSA-N 493.610 3.881 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 408999204 SZRXAVXJGUDRNW-KGENOOAVSA-N 459.506 3.526 10 40 JHCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O 409143197 ZNURNVGPQLAHPR-XDJHFCHBSA-N 452.507 3.935 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC)c3)C2=O)cc1OCC 409190475 OFSPXEPNWOIEAA-ZHZULCJRSA-N 452.507 3.935 10 40 JHCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 2323228 KHSCZSYIBMPIQP-VVZNPABPSA-N 472.636 3.701 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223034182 ACNOCNKAIMLUSV-PKTZIBPZSA-N 464.591 3.895 10 40 JHCB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)O)o2)c1 408634905 XVBLKXIITNZOMV-RGVLZGJSSA-N 469.519 3.808 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408898569 XAJBBOYQBSKRRB-JXAWBTAJSA-N 480.473 3.568 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408946455 AGVLLWXNDNOJNN-OQLLNIDSSA-N 481.804 3.903 10 40 JHCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 408955192 TYGYHMUITFKGBH-CIAFOILYSA-N 456.454 3.969 10 40 JHCB COc1ccc(N2CCN(C(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)CC2)cc1 12562765 SXZUGXQXXOFDEZ-IBGZPJMESA-N 465.497 3.866 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 12606197 LHGIOIYEICRSAN-JOCHJYFZSA-N 483.613 3.987 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(c2ccc(OC)cc2)CC1 13504166 WRJYQUDZHSIPJH-XMMPIXPASA-N 480.613 3.756 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 19499656 RXFIUWUHIJWINV-DEOSSOPVSA-N 480.613 3.756 10 40 JHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)cc1 27520667 LTYATKNMKOXIRH-WUXMJOGZSA-N 493.213 3.720 10 40 JHCB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1c(Br)cc(Br)cc1Br 100525399 WXEYTYTXGFLWAZ-ZQHZZJAZSA-N 497.998 3.888 10 40 JHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 100886467 MSBVABSZGVCTRP-ULJHMMPZSA-N 488.569 3.995 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223011992 DULWHAQYJLVMQZ-FGZHOGPDSA-N 450.564 3.806 10 40 JHCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 2380056 DDHZDXVVUIAFRN-WQRHYEAKSA-N 451.529 3.834 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)CC2)cc1 26116157 GNCKDNFKPRXREB-UHFFFAOYSA-N 489.663 3.554 10 40 JHCB Cc1noc(CSc2ccccc2C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 29015270 VBCCEWQVDGNWFM-UHFFFAOYSA-N 454.552 3.552 10 40 JHCB Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 41085077 NIVBEZGDRHSCOQ-DULIVUPNSA-N 459.531 3.887 10 40 JHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N\N1CCN(Cc2ccc3c(c2)OCO3)CC1 100798341 UTYDYLSZVVLISJ-RQZHXJHFSA-N 465.510 3.898 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)cc2)C1 225721125 XTNIYKKXLOAOGG-LJQANCHMSA-N 461.603 3.925 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)cc1 409189472 GXXPSBFSBTVJPM-ITRAFESCSA-N 463.515 3.517 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2C)c1 9260800 RWGRACVFTMUDHC-HZHRSRAPSA-N 486.528 3.802 10 40 JHCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1cn[nH]c1-c1ccccc1 9308806 VAPJTHLBWGUNDP-ZHZULCJRSA-N 460.519 3.777 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18107125 WCCKDZFDMXUZSR-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 33923787 BOIXKDCOXJAIRB-UTPKNYPYSA-N 486.663 3.723 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1 59594615 MAGJLUMPWQIYID-GZTJUZNOSA-N 479.470 3.703 10 40 JHCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(F)c1 96221606 GKHVGXMEHAZXLC-CYBMUJFWSA-N 480.400 3.871 10 40 JHCB biogenic CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncc(-c3ccccc3)n1C)n2CCC 9466403 YQCQURCUGUJTSE-UHFFFAOYSA-N 452.584 3.789 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)O 13914376 SNCVEVNZCURINY-OVCLIPMQSA-N 492.269 3.569 10 40 JHCB O=C(c1cc2ccccc2c(CN2CCN(c3ccccc3Cl)CC2)c1O)N1CCOCC1 16079015 DWUNATFHQZBNAH-UHFFFAOYSA-N 465.981 3.993 10 40 JHCB COc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96220936 WALWEDAADXYCNX-AWEZNQCLSA-N 462.410 3.732 10 40 JHCB biogenic Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 12628976 CMBQMAIAEQZARQ-NVMNQCDNSA-N 467.865 3.701 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O 15012453 PJEITASMQQZVAY-NVNXTCNLSA-N 459.296 3.837 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 169616996 FOSKOAPDTTZQEB-YPAWHYETSA-N 455.441 3.829 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccn1 223173618 PDRMLMHODZIISS-LOSJGSFVSA-N 476.650 3.579 10 40 JHCB Cc1cc(C)n(CCNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)n1 1565524893 WCTPIMIUGFKISB-NDEPHWFRSA-N 496.615 3.808 10 40 JHCB CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8846087 OLDKHEVIBKSZIF-OAQYLSRUSA-N 482.602 3.777 10 40 JHCB C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1)c1ccccc1 10036609 PHZFWGHIQNJKSR-OAQYLSRUSA-N 493.629 3.835 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1 13565077 WHPLFILJRVAOAG-DEOSSOPVSA-N 460.607 3.898 10 40 JHCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 13648114 YUFXMQKYGYTXSJ-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914088 NWHINHYFZGIERS-MHZLTWQESA-N 476.596 3.950 10 40 JHCB COC(=O)C[C@@H](c1cccs1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115682 VQDAYISBOQHSOV-NSHDSACASA-N 470.455 3.745 10 40 JHCB biogenic O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Br)c(Br)c1 408886957 NCBVHDWYWWXOOC-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1 408917124 NDDZRRIHGIGIIC-HMAPJEAMSA-N 489.528 3.983 10 40 JHCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409211321 MXFYOLSSFZXUEX-LBFZPMSMSA-N 473.459 3.721 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3C)C2=O)cc1 409267837 XYHLXJUBQPPTPL-RCCKNPSSSA-N 485.496 3.688 10 40 JHCB Cc1sc2nc(/C(=C\c3ccc(N4CCOCC4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 9516919 DEIRHRXIDSTNOV-HMMYKYKNSA-N 464.591 3.601 10 40 JHCB COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1OC 12274927 PDTHIWVRNIJQIJ-UNOMPAQXSA-N 461.561 3.871 10 40 JHCB CCOC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n(-c2ccccc2)c1C 15024016 WSMUZLBETOISNX-UHFFFAOYSA-N 454.548 3.650 10 40 JHCB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@@H]2C)cc1 85907448 QNAQXRSCTQFKEU-QDIQWHTGSA-N 454.611 3.733 10 40 JHCB CCOc1ccc(NC(=O)[C@H](/N=N/c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)C(C)=O)cc1 104124096 PIKIFWJDHRSERU-ILOQVAKNSA-N 496.549 3.665 10 40 JHCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3ccc(OC)cc32)S1 4182169 LOSMOYMLUCAEGQ-UHFFFAOYSA-N 479.601 3.916 10 40 JHCB CC(C)Sc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 8613813 JWAZZZAOESBKHF-QGZVFWFLSA-N 483.059 3.526 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc(OC)c1OC 13766090 LAHFGVXTLPUMTL-QGOAFFKASA-N 458.561 3.942 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 28332502 VQMMYMJOKUKMTK-IBGZPJMESA-N 462.015 3.657 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc(C(=O)O)c2)c([N+](=O)[O-])c1 107722700 XWHHEMAXCPMAKM-ZDLGFXPLSA-N 493.859 3.987 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223657533 HSUOQGBUAWWHGN-RPWUZVMVSA-N 478.574 3.753 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2)cc1 225520589 GOTHEEYIEQWFBR-JOCHJYFZSA-N 455.624 3.702 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)C1 260764632 KXUGGDJTUOQNBL-IRXDYDNUSA-N 465.566 3.672 10 40 JHCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408534396 LUKHJOSGZUBFDO-WJDWOHSUSA-N 457.280 3.739 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O 408767902 QWLAYYGBUDPFLJ-NTUHNPAUSA-N 465.687 3.873 10 40 JHCB CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O 583650368 XFDIAKVFSBHPLU-GOTSBHOMSA-N 491.632 3.722 10 40 JHCB CN1C(=O)C(=CC2=N[C@H](c3ncc(C(F)(F)F)cc3Cl)c3ccccc32)C(=O)N(C)C1=O 1385812 MZVCYZXFRYNWFE-INIZCTEOSA-N 462.815 3.623 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)CC1 12017092 YDNZYAJUYMQNMF-WFTRPWEDSA-N 473.620 3.525 10 40 JHCB COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc(OC)c1OC 16838188 PZQXJEFMPIYCKB-JOCHJYFZSA-N 453.583 3.662 10 40 JHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 28296961 WQGDRKRCERQHGX-CHJAJTDHSA-N 482.879 3.637 10 40 JHCB O=C(COC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc([N+](=O)[O-])c1 33490476 UAZOYVXSSIDERS-GWJCNYFMSA-N 497.554 3.924 10 40 JHCB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCCN(c2ccc(OC)cc2)CC1 95356845 QEDLLLRDGGKGSL-UHFFFAOYSA-N 469.611 3.758 10 40 JHCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223191931 IKNMNLHPCPBYSZ-UIOOFZCWSA-N 490.677 3.887 10 40 JHCB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N1C(=O)CCC1=O 224889512 IMMMAGYKULIIDE-GOSISDBHSA-N 485.606 3.624 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 408762631 FIVVTMXMXLKHFK-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409004243 OUQISODIAWJPGS-ZHZULCJRSA-N 485.496 3.688 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1C 409271689 VYYUAWMNNAPGAY-HAHDFKILSA-N 469.497 3.987 10 40 JHCB CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N(CC)C1=S 1301257 QKXTVDNNBDKJHB-UHFFFAOYSA-N 478.324 3.996 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 9892601 DYDOLFKDVDXLPJ-SRZZPIQSSA-N 472.501 3.663 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C)cc1 13146267 REOKDEBRLIJSSH-UHFFFAOYSA-N 496.585 3.927 10 40 JHCB Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccccc2)C1=O 13942162 AMBXZQDBSXUMHQ-LTGZKZEYSA-N 459.458 3.822 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N21 20205668 JUCYYWOKKDKZCB-GHZHVEGCSA-N 466.953 3.705 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 41084377 GZXWSGMHWQABSW-YZQMTWDLSA-N 468.970 3.656 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(Br)o2)C(=O)NC1=S 208532210 MDKPAECLRKEJAV-UXBLZVDNSA-N 470.142 3.944 10 40 JHCB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 260837018 COMFMUNMYVDITF-DVECYGJZSA-N 473.639 3.793 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 408783125 KHWDFNMWDMZTJB-RGVLZGJSSA-N 486.480 3.978 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1 408890366 RWYSUYUDQBAZOS-RGEXLXHISA-N 480.473 3.568 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c([N+](=O)[O-])c1 408903378 SBZISXCCBLWEHA-YBFXNURJSA-N 478.436 3.816 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)C(=O)NC2=S)cc1 6508308 GYANGFOJOPXZBM-GDNBJRDFSA-N 461.337 3.688 10 40 JHCB COc1ccccc1-c1coc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2c1=O 11865358 PXOCXEJSQLPICL-MSOLQXFVSA-N 470.525 3.955 10 40 JHCB biogenic O=C1N=C(O)/C(=C\c2ccc(O)c(I)c2)C(=O)N1c1ccc(F)cc1 59135178 ZNWFIGDOEVSDRQ-KPKJPENVSA-N 452.179 3.643 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274859 RANDLQAQXISUTK-RPWUZVMVSA-N 494.621 3.940 10 40 JHCB COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)cc3)C(=O)NC2=S)c1 9411362 OGGPICJAVSZDOZ-HMMYKYKNSA-N 465.575 3.916 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc4c(O)nc5c(-c6ccccc6F)nnn5c4c3)CC2)cc1 21867382 XJZVRPODMSJCSP-UHFFFAOYSA-N 498.518 3.760 10 40 JHCB COc1ccccc1NC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O 104124274 AFZVWDJZQQNKPY-JMSHBIQUSA-N 467.507 3.571 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(=O)O)c1 223270440 RMVUYLMGHRMRDJ-PKTZIBPZSA-N 463.607 3.721 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 2315739 SSHZEPQDFFLZPU-QNGOZBTKSA-N 450.535 3.685 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)C1 260841179 KCFNTDLRRGWEPO-KRWDZBQOSA-N 450.004 3.513 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 408807362 CBQAKPVTJMGAPV-DEDYPNTBSA-N 472.453 3.639 10 40 JHCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 1838770 KYRSSCQNLSNYGF-CJLVFECKSA-N 489.484 3.913 10 40 JHCB COc1ccc(N2C(=O)[C@H]([C@@H]3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1 8828436 MXWDLZYSBSYEHY-HOTGVXAUSA-N 476.626 3.871 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)CC2)cc1 9791862 RXSIUNPXYVYSDY-DEOSSOPVSA-N 488.613 3.928 10 40 JHCB COc1ccc(N2CCN(C(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 22797888 SKOYRHCAKHQCLN-UHFFFAOYSA-N 484.644 3.751 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 33296799 NUEXQTGXAHMGJQ-UHFFFAOYSA-N 459.550 3.636 10 40 JHCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223192013 BOXKUAIBMJWZBA-JWQCQUIFSA-N 490.677 3.887 10 40 JHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 409241768 URJMBKCWPQBVTA-FOWTUZBSSA-N 452.879 3.870 10 40 JHCB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1C 12563907 BVYAJVQLDOAFET-FQEVSTJZSA-N 469.611 3.749 10 40 JHCB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1 23157319 XZPHOUQNJVXSMD-OAQYLSRUSA-N 465.579 3.734 10 40 JHCB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 32189066 AESLUGAGVAECHZ-NVNXTCNLSA-N 459.842 3.712 10 40 JHCB O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100788828 DJQOJITVIOADLR-IGGZQCIDSA-N 458.949 3.861 10 40 JHCB biogenic Cc1cccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1 408772850 IIXFUNIXVIXFAT-XDHOZWIPSA-N 460.471 3.922 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 409067492 QZSONUMBFGMNMJ-UDWIEESQSA-N 492.871 3.989 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409231292 BREMLFUMWRVETH-WOJGMQOQSA-N 495.875 3.838 10 40 JHCB CCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8747446 SOWICOBDUBQGRO-UHFFFAOYSA-N 491.979 3.895 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c(=O)n(-c2ccccc2)n1C 8869980 YDOMWUCDLWTTKY-QGOAFFKASA-N 461.572 3.777 10 40 JHCB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 9612453 WJOBXXNOYZVXCK-HNNXBMFYSA-N 458.470 3.794 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)cc1 20207376 YRYBFWUJHHHGOZ-OOEDSJJISA-N 485.591 3.503 10 40 JHCB C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@@H](C)N1S(=O)(=O)c1cccc2c1C[C@@H](C(=O)O)C2 34894474 FNUIAXIWDUBUGM-UXLLHSPISA-N 498.523 3.673 10 40 JHCB investigational CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 41084730 WDHPVDNEUOZONL-VLNGMFBOSA-N 493.545 3.960 10 40 JHCB C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 54360710 YVESAZYLYKTSQP-NUEDXCKTSA-N 462.936 3.972 10 40 JHCB COC(=O)C[C@H](c1ccsc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115206 IVFHUVCBYHVKAA-GFCCVEGCSA-N 470.455 3.745 10 40 JHCB biogenic CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 98086822 VSKMLZLEVTZXHR-JWGURIENSA-N 497.642 3.644 10 40 JHCB CN(C)c1ccc([C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)NCc2ccncc2)cc1 104827521 ARHZOUXURPKNGE-JOCHJYFZSA-N 456.546 3.809 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 216454513 GUSHDBVZVBQCGI-UHFFFAOYSA-N 473.614 3.674 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223011622 BMNNTFHYDJHDSX-YADHBBJMSA-N 450.564 3.806 10 40 JHCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccccc1Cl 409261806 BNLWFQSCQRXPAU-UYRXBGFRSA-N 491.887 3.730 10 40 JHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(C(=O)O)c2)SC1=S 618255276 UYZZCEIROFLSBI-GFWHJHDHSA-N 456.545 3.673 10 40 JHCB Cc1cc(C(=O)COC(=O)CCc2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13037990 IQDUWBKXYFXADC-UHFFFAOYSA-N 474.966 3.754 10 40 JHCB COCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 16734241 DEZCPWOQAHWRPY-UNOMPAQXSA-N 480.615 3.771 10 40 JHCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(I)cc1 226401641 RECAVEZYDIVGKZ-NTEUORMPSA-N 468.703 3.776 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408880908 JDGGQSSOCOATEL-VCHYOVAHSA-N 490.297 3.973 10 40 JHCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 409189823 TYMSOHZNRXYOIF-XNFYSYIQSA-N 465.314 3.677 10 40 JHCB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 409353775 RHZBMKOZLMWYLG-BKUYFWCQSA-N 496.545 3.723 10 40 JHCB CN(C)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 8820366 ZAOHGRPCIFHUNU-VMGASSTCSA-N 495.626 3.801 10 40 JHCB Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 9360518 OOSUKMUSNAOKAI-FBHORADZSA-N 498.674 3.865 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1OC 13600971 QMXUWJVQEIQJHV-QPEQYQDCSA-N 482.128 3.690 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(O)=NC2=S)c1 17181029 TXTNHXMZWIPLMI-NVNXTCNLSA-N 460.895 3.874 10 40 JHCB Cc1c(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)oc2c(O)c(O)ccc12 20590328 NOFLQZKKSPYRNK-UHFFFAOYSA-N 484.552 3.989 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(Br)c1OCCOc1cccc(C)c1 32109516 ZFHRSXUTYYSELN-UHFFFAOYSA-N 475.295 3.814 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])cc1OC 59398719 NBXBLTLEXCRQCI-VZUCSPMQSA-N 482.301 3.750 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1O 408742351 QSIFZCYFSACMAV-WUXMJOGZSA-N 481.755 3.956 10 40 JHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408776301 NIIOXMXJOYTIRQ-HAHDFKILSA-N 472.497 3.852 10 40 JHCB COc1ccccc1N1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C(O)=NC1=S 2102847 LEQRXCGNCFCYJS-LGMDPLHJSA-N 462.531 3.527 10 40 JHCB biogenic Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8720563 MGXVYFSARLOVGK-MUUNZHRXSA-N 485.540 3.832 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 18276149 GRCNEYWMYYTEJQ-BHIFYINESA-N 482.448 3.598 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccc(OC)c3OC)c3nnnn3C3CCCC3)CC2)cc1 19556470 WENHBUMRGCQHJF-DEOSSOPVSA-N 478.597 3.726 10 40 JHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccccc3F)C2=O)o1 34718887 WYSXSWYFGXZZMR-MTJSOVHGSA-N 493.491 3.943 10 40 JHCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)sc2n1 40161916 CSHPKXWVXVXWOP-UHFFFAOYSA-N 490.467 3.890 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O 1245398 VHHDCILMCSUBKJ-CPNJWEJPSA-N 467.572 3.995 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)SC2=S)c(=O)n(-c2ccccc2)n1C 8972112 ZGIBPKIPCNDJMY-GZTJUZNOSA-N 468.516 3.504 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1[C@H](C)CC 9762581 IMGFXCKLQZCZOV-MRXNPFEDSA-N 452.507 3.806 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)cc1 13504800 UBBMZHPQDUBXOO-AREMUKBSSA-N 489.574 3.977 10 40 JHCB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 100415082 OBJXDUOCWHRHAW-XPWALMASSA-N 451.478 3.999 10 40 JHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)nc1 223192287 KWKHKZONPNXYMS-CLJLJLNGSA-N 490.677 3.887 10 40 JHCB Cc1cccc(OCCOCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 9762225 POPFBKVCVMDOCJ-NCELDCMTSA-N 458.514 3.931 10 40 JHCB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 13668414 ABTHKHNXGQCGLL-KRWDZBQOSA-N 480.030 3.810 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=N)N21 20207273 UFCYYNIZIDLCNG-GLGSTRKCSA-N 486.550 3.805 10 40 JHCB CN(C)c1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Br 33700756 JFEZEHCVZXWOLA-XUTOWMMVSA-N 455.341 3.578 10 40 JHCB CCN1C(=O)/C(=C/c2cc(Br)c(O)c(I)c2)SC1=S 33736597 OOINMIFHGJLICA-UITAMQMPSA-N 470.151 3.980 10 40 JHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 34771736 JVIJKIFVGMXEBB-UNOMPAQXSA-N 456.905 3.919 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC 100414708 UNNPNGIHDYOYIK-SGNDLWITSA-N 497.503 3.707 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 408778146 BTQGQJLKMGTBBF-CJLVFECKSA-N 488.519 3.736 10 40 JHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1 409083516 BFYABUSHMIGEPG-UZUMKDMXSA-N 456.520 3.869 10 40 JHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)ccc21 409188561 DGGOQTYSVLNELU-PBSOMRJOSA-N 453.907 3.772 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)cc1 409190568 SIIKLJAWYSBIKU-CPNJWEJPSA-N 490.493 3.653 10 40 JHCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)sc(C)c1C 409205286 PGMXTMCUMNXUDE-VCHYOVAHSA-N 481.530 3.814 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084550 RZBUSQBQVNDETH-FORMPUQESA-N 499.955 3.967 10 40 JHCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)C(=O)N(C)C1=O 59488627 BMUFUKKCBDBQNP-UHFFFAOYSA-N 454.489 3.790 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3c(C)c(C)cc(Br)c3C)CC2)cc1 72414522 FZKFOKJAJGZCNG-UHFFFAOYSA-N 453.402 3.894 10 40 JHCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c([N+](=O)[O-])c1 223273902 VHCISEOSCMWTBK-RPWUZVMVSA-N 494.621 3.940 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 225512598 CQGDLITZLOUGJI-IFMALSPDSA-N 455.624 3.640 10 40 JHCB Cc1cc(C(=O)CN(Cc2ccc(F)cc2)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 8707014 ROMXZWVLVKKWCD-UHFFFAOYSA-N 455.555 3.728 10 40 JHCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 9282777 GTQUVYKOEQVKRG-FDLDKBQRSA-N 478.553 3.865 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1Cl 9432077 KQISZPHLXTZNMY-WJDWOHSUSA-N 466.833 3.973 10 40 JHCB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 10113216 FCTHBVOZLLXIQT-KRWDZBQOSA-N 450.004 3.801 10 40 JHCB CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 13632700 DKNFFHOGSBPATA-LJQANCHMSA-N 459.612 3.547 10 40 JHCB Cc1cc(C(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 15403214 OCJFWEPAQMMPKY-GOSISDBHSA-N 455.509 3.879 10 40 JHCB CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33525536 DWHKOOMJXMCHQI-CDCQXCROSA-N 493.741 3.894 10 40 JHCB COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 41084308 MXTMOPZCVOHMJT-NREDLREFSA-N 475.530 3.587 10 40 JHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(OC)c(OC)c3)c3ccco3)CC2)cc1 56946257 HAKAVMZWSHVWEN-QFIPXVFZSA-N 465.550 3.599 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 108951254 MWPUEYBABKLMFP-HYARGMPZSA-N 489.459 3.518 10 40 JHCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223142985 SUXWLGAKHXFJFG-IZZNHLLZSA-N 491.661 3.802 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 13505299 ISGOSBFQSZBCLT-XMMPIXPASA-N 477.613 3.900 10 40 JHCB COC(=O)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN(c3ccccc3F)CC2)cc1 25571495 UXKARFCEEFYOOP-VWLOTQADSA-N 464.493 3.958 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 27519515 BUSAXHUVRGDBIU-APSNUPSMSA-N 491.459 3.590 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223692952 DIVRUXUNCAFCAF-RPWUZVMVSA-N 478.574 3.753 10 40 JHCB Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])s1 408988108 CPTAFQBDGLCBFA-NTEUORMPSA-N 483.556 3.737 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O 409399490 JCUAZZAYMMSFFI-WQLSENKSSA-N 482.128 3.777 10 40 JHCB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 2454552 WTJKOMZDADQXPV-WQRHYEAKSA-N 456.545 3.883 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 12032468 MPYRMBPJEWBQRL-BMRADRMJSA-N 481.665 3.810 10 40 JHCB COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1OC 12321357 LHXIGMMTFURWAD-MRXNPFEDSA-N 450.491 3.760 10 40 JHCB Cc1cc(C(=O)[C@H](C)OC(=O)CN(C)c2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1 40087937 DVQHHFNOFJDTIH-INIZCTEOSA-N 458.465 3.736 10 40 JHCB O=C(C1=CN(c2ccc3c(c2)OCCO3)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1 49003914 QQWYIXMCNZJIBR-UHFFFAOYSA-N 460.939 3.891 10 40 JHCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223192076 BOXKUAIBMJWZBA-RPBOFIJWSA-N 490.677 3.887 10 40 JHCB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)s2)cc1 225615595 YIPMNQBXECBYQM-QGZVFWFLSA-N 485.635 3.814 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 225754458 FAVRBROTEJYYSM-UHFFFAOYSA-N 464.031 3.903 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408894290 BZRKUPQNJVCHPN-PXLXIMEGSA-N 469.497 3.987 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2405821 MALPLEUEVQGSJP-AQTBWJFISA-N 483.571 3.651 10 40 JHCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)CC(C)(C)CC4=O)[C@H]3C2)cc1 9340204 DBFWQVCIAXHIEU-JOCHJYFZSA-N 463.534 3.799 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 9720768 GZNZALRLYOUGOG-QNGOZBTKSA-N 470.481 3.967 10 40 JHCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 13714162 FDBIDXHECMRYCJ-VBKFSLOCSA-N 474.608 3.609 10 40 JHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799185 CDYCBOBSXDNMEZ-VJBWXMMDSA-N 458.474 3.712 10 40 JHCB COc1ccc(N(CCCC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224048860 HZJBRXDQTYTTIL-UHFFFAOYSA-N 459.612 3.548 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 409264637 QMHLJIPCRVGARQ-QNGOZBTKSA-N 471.538 3.844 10 40 JHCB COc1ccc(N2CCC(O)(CN3CCC(O)(COc4cccc(Cl)c4)CC3)CC2)cc1 585283049 PAHIGXRFSYBGGT-UHFFFAOYSA-N 461.002 3.586 10 40 JHCB CCCCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 13426875 WDCWVHNMPSBQED-BRYHAGSVSA-N 455.623 3.653 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3Cl)c3nnnn3Cc3ccco3)CC2)cc1 13505122 BDJZKBMNJDEJPM-HSZRJFAPSA-N 464.957 3.888 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1 13565078 WHPLFILJRVAOAG-XMMPIXPASA-N 460.607 3.898 10 40 JHCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 13591007 PPOVSVDUVDDZOP-NQCZSQBNSA-N 494.620 3.940 10 40 JHCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 27571016 GWRXLKWIIBAVNI-GIDUJCDVSA-N 450.925 3.732 10 40 JHCB O=C1C[C@H](c2cccc3nccnc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114299 HWRADNJSYYEIHC-CQSZACIVSA-N 468.421 3.961 10 40 JHCB biogenic Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\NNc3ccc(Cl)cc3)C2=O)c1C 408530859 MXCHBLABYNXNEH-NTEUORMPSA-N 463.719 3.803 10 40 JHCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 409188379 YTZBKTLKVOHENY-VCHYOVAHSA-N 458.923 3.502 10 40 JHCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1 409231567 LGUJBVMRLPJTKK-UNOMPAQXSA-N 494.349 3.783 10 40 JHCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 1165041 UICGYMWJRHNAJH-ILQOSMIASA-N 484.647 3.557 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 8915995 JLAOQWAUAXCSDE-UHFFFAOYSA-N 497.592 3.687 10 40 JHCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2[nH]c3ccccc3c2CCNC(C)=O)C1=O 9354325 WUHWLCLRGFJFBJ-JXAWBTAJSA-N 460.490 3.752 10 40 JHCB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9487153 GWDZFKVVRZKYMQ-UHFFFAOYSA-N 485.477 3.972 10 40 JHCB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 13030327 QWUJKKXPRRWGNO-UHFFFAOYSA-N 480.586 3.989 10 40 JHCB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3(C)C 13575437 XGMCBYABXRUNEW-JOCHJYFZSA-N 481.936 3.625 10 40 JHCB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)n1-c1cccc(F)c1 22888381 IYUHNGUDVJXEDT-UHFFFAOYSA-N 489.594 3.624 10 40 JHCB CCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26688437 HIHHQDKHAWBOLQ-JDPRVQSZSA-N 472.636 3.618 10 40 JHCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 95108958 WFLWOVGGJGLYIB-FKBYEOEOSA-N 471.440 3.529 10 40 JHCB CCc1cc(Br)cc([N+](=O)[O-])c1N/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408537292 ZVRFCTAWEJRGLT-GDNBJRDFSA-N 489.282 3.507 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 408811497 VUIWSKBNOLGNJO-HYARGMPZSA-N 458.470 3.949 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 13763673 QIYAGGMHLSUSOD-VJBWXMMDSA-N 451.478 3.999 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3n[nH]c(/C=C/c4ccc(F)cc4)n3)CC2)cc1 14807826 PPMZPSQGNKELIK-NYYWCZLTSA-N 453.543 3.564 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 16914787 IEOLJPNFCPBDSR-HHHXNRCGSA-N 494.661 3.603 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)cc2)C1 224805397 DXAUURNVFQHQAC-GOSISDBHSA-N 464.031 3.654 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 225558188 WIIZKCJDDZYLRD-IBGZPJMESA-N 464.031 3.903 10 40 JHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cccc1OC 408526964 CXLANNPDETWFOO-YBEGLDIGSA-N 460.489 3.561 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(C)c1 408947390 CIFBLYQIXNLGIL-RGVLZGJSSA-N 486.480 3.978 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1C 409243640 XHKHFQKSJLLGNC-OQLLNIDSSA-N 450.438 3.862 10 40 JHCB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9068574 JLCSPTOGTQTWMU-UHFFFAOYSA-N 472.588 3.722 10 40 JHCB Cc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 10383439 LRFVIGHNHQXLBX-UHFFFAOYSA-N 476.554 3.810 10 40 JHCB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 13669697 AULQKMSLYOXPNF-KRWDZBQOSA-N 480.030 3.810 10 40 JHCB CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc3c(c2)CCCN3C)CC1 22734803 HGYJUVLLLKWDFI-HSZRJFAPSA-N 471.443 3.550 10 40 JHCB CCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)c1 32099588 NYQSSFWAWBJLBI-QNGOZBTKSA-N 474.469 3.761 10 40 JHCB COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 107914368 ISONYSUSPVJLEU-KSSSLANASA-N 479.714 3.504 10 40 JHCB CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccc(Br)cc4)n3c2=O)cc1 9187916 FHRYRQMLFKPUNG-AQTBWJFISA-N 455.381 3.974 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 9466954 KFPKZPZNDVZOSI-UHFFFAOYSA-N 484.603 3.721 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23157553 WFMOHMHOLXJVAZ-HXUWFJFHSA-N 453.543 3.864 10 40 JHCB N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084426 OWPRHAUUCQVJTI-OTLVRQKTSA-N 486.351 3.618 10 40 JHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 95544262 JAFDXWVQNKUNSI-ZLNRFVROSA-N 457.486 3.502 10 40 JHCB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4ccc(O)c(O)c4)c3n2)cc1 2770404 JSHCWYRTAJFDLM-UHFFFAOYSA-N 454.433 3.726 10 40 JHCB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 9310601 NNPCIZGHHUFQHA-XDHOZWIPSA-N 458.561 3.942 10 40 JHCB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c(C)n1-c1ccccc1F 11274463 UZRSIKGKQIDQFY-UHFFFAOYSA-N 455.559 3.971 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914083 NWHINHYFZGIERS-HHHXNRCGSA-N 476.596 3.950 10 40 JHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408532398 MNVSSFYLFVZWGP-JXAWBTAJSA-N 464.957 3.849 10 40 JHCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 409240276 GEPCBWRTCNPGPC-UDWIEESQSA-N 461.543 3.769 10 40 JHCB O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 409343777 GLAVSISCVXOKTL-GRSHGNNSSA-N 471.516 3.566 10 40 JHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1CCOc1cccc(C(F)(F)F)c1 2221956 FFWVLMOWZVYVDR-UYRXBGFRSA-N 473.407 3.841 10 40 JHCB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 13675254 SQPITDGJAZZWDB-UHFFFAOYSA-N 467.566 3.938 10 40 JHCB CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 34765916 MEDWEIPRFCAFEE-FMNVXAMXSA-N 458.898 3.531 10 40 JHCB C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 54360709 YVESAZYLYKTSQP-SYEOYNTFSA-N 462.936 3.972 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102739435 GPSBPCRAJCYULB-TZRRMPRUSA-N 488.500 3.721 10 40 JHCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223142867 SUXWLGAKHXFJFG-CLJLJLNGSA-N 491.661 3.802 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OC 409010127 DNLLHUDGEPXYHZ-NVNXTCNLSA-N 475.364 3.914 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccccc1F 409202521 ROFOPIGMVYGQEA-UDWIEESQSA-N 450.445 3.904 10 40 JHCB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007971 FHBXIRBQYNHDDQ-JOCHJYFZSA-N 452.624 3.683 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505444 GJXXHGXNFSVQNU-AREMUKBSSA-N 454.578 3.836 10 40 JHCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCc2c[nH]cn2)cc1 95483241 CSECJSXJELEQQS-QNGOZBTKSA-N 458.547 3.885 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3cccc(F)c3)C2=O)cc1 408874458 BXUDYQOBWGDCIO-HZHRSRAPSA-N 488.471 3.878 10 40 JHCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@H]12 409295752 RKXCSNOAPSFUOK-MDNMEBMLSA-N 489.484 3.676 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]23)cc1 13596744 BENQTCPXQNJRAZ-BHIFYINESA-N 455.441 3.829 10 40 JHCB COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(OC)c1OC 13765284 WQZKUAVQZUIPID-UVTDQMKNSA-N 461.268 3.982 10 40 JHCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccccc4Br)CC3)c2c1 24574267 ABSMQTZQTDJZIH-UHFFFAOYSA-N 491.407 3.823 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 408725266 GPOMPIVQLAMTTM-FGGAIWKESA-N 482.005 3.518 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409104412 ZIJDJIFZTHFAAX-LDADJPATSA-N 480.274 3.604 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S 9264453 QZYSGQYGLSYMTF-WOJGMQOQSA-N 475.526 3.663 10 40 JHCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 20206293 AOPYPDYBQOITQY-WUVMMTAUSA-N 488.978 3.849 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)cc1 35105429 LXPWEBOLBSPONN-STZFKDTASA-N 481.574 3.930 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C(=O)O)cc1 223270671 KWALLZACVMLYAZ-PKTZIBPZSA-N 463.607 3.721 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)ccc1Br 408762588 POEONFQRJBAGQH-YRNVUSSQSA-N 454.074 3.779 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C2=O)cc1C 409067709 QWEOKRFSSJWSNG-RCCKNPSSSA-N 476.510 3.738 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409111880 CWFBYXNIYBGISO-LDADJPATSA-N 465.575 3.752 10 40 JHCB CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S 409391005 GSAISKCXJCWDDE-WOJGMQOQSA-N 466.950 3.580 10 40 JHCB CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778064 ZJTRIWPAPQCWGT-JCMHNJIXSA-N 465.575 3.589 10 40 JHCB Cc1cc(C(=O)[C@@H](C)OC(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc(Cl)cc1 9118436 CDZVKDSSVZDQEG-CQSZACIVSA-N 459.959 3.976 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)cc1 9438743 AFBFUYMAWMRKIW-PDGQHHTCSA-N 479.470 3.703 10 40 JHCB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529590 RDXWPYKGQHZTDY-JPPUBGEISA-N 497.595 3.970 10 40 JHCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 20207306 CVFUTYYQSDYYRK-PLLOTBJKSA-N 482.587 3.974 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 22665521 KKJSHMMAKPLTHJ-MHZLTWQESA-N 476.596 3.950 10 40 JHCB C=CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(F)cc3)c(OC)c2)SC1=S 33398537 ARMYTLNIPCPJNA-PDGQHHTCSA-N 465.549 3.989 10 40 JHCB Cc1nn2c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470290 OVUBNHQPHIGDSU-UPZHSFEJSA-N 461.454 3.948 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 216451558 DZHPZNJUXXDQRS-UHFFFAOYSA-N 476.042 3.798 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 408913880 VUZUKEKXFVIKAI-OQLLNIDSSA-N 475.364 3.683 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409098095 NIBPULUUYWLING-LDADJPATSA-N 496.342 3.769 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(Br)c1O 1141706 QXZVRGDHGGBFJY-OQLLNIDSSA-N 467.275 3.983 10 40 JHCB Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccccc1 8777652 ARMKJZLVAHSXMI-JLPGSUDCSA-N 477.586 3.632 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2C)cc1 9548997 ZKOFLXRJDQQQEB-AREMUKBSSA-N 459.502 3.515 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OC 1205622 HYYBKBRWIRCOAJ-OVCLIPMQSA-N 459.296 3.750 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 8766438 FJIXXWBYUBDLSF-PGMHBOJBSA-N 467.616 3.635 10 40 JHCB O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 9215645 ZMFHIAHZNDDXHL-ZHZULCJRSA-N 496.639 3.813 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 9425638 NGNYQRIUNFNEHY-MRXNPFEDSA-N 452.507 3.806 10 40 JHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20286480 PFIRIFJPOBZVPL-PGMHBOJBSA-N 462.535 3.694 10 40 JHCB Nc1cc([N+](=O)[O-])cc2cc(S(=O)(=O)O)c(/N=N\c3cc([N+](=O)[O-])cc(Cl)c3O)c(O)c12 25694219 PDMUIYTZNPZMRN-VXPUYCOJSA-N 483.802 3.965 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCc3ccc(C)cc3)CC2)cc1 38487572 GBDRQGDOVVGHTH-UHFFFAOYSA-N 485.631 3.506 10 40 JHCB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408670767 YCABJHASVILVAR-RZUBCFFCSA-N 480.948 3.693 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nnnn4-c4ccccc4)o3)C2=O)cc1C 408992445 SADOYCDFZZYLBD-CPNJWEJPSA-N 486.513 3.690 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409088205 WBJLYTZTAMXZLY-UHFFFAOYSA-N 465.340 3.554 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC 20287333 MZHQVLDHMRTDBK-BKUYFWCQSA-N 466.519 3.965 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc12 408897592 YSAZIYKJBXLSMP-UHFFFAOYSA-N 495.285 3.580 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 409021787 YHIZYFBIPJMQRQ-XKZIYDEJSA-N 473.489 3.842 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409394068 VDSMOMWGRNFWNO-VCHYOVAHSA-N 464.865 3.507 10 40 JHCB CN(C)CC(C)(C)CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565525064 ZLIDGLFQFFXILC-HHHXNRCGSA-N 487.648 3.882 10 40 JHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)c1 3201272 VPMHQFYFEDTTKO-UHFFFAOYSA-N 478.530 3.685 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 8869168 MSJQZPSUCIJXDT-BHIFYINESA-N 471.440 3.529 10 40 JHCB Cc1cc(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 9219977 MKQQTTORQANQCT-UHFFFAOYSA-N 465.531 3.600 10 40 JHCB COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 12605361 IKKLSAGMXAVMAJ-UHFFFAOYSA-N 454.476 3.575 10 40 JHCB CCCCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733617 WFXZPDNKMDFRHE-AREMUKBSSA-N 450.627 3.576 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Br)C(=O)NC2=S)cc1 108211786 FELLNYIMYPBXAO-OQLLNIDSSA-N 475.364 3.860 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3C)C2=O)c(C)cc1Br 408529806 IBHVJAOLFSMODD-NTEUORMPSA-N 473.283 3.861 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408585456 FAYUWTQWNJAHBG-RGEXLXHISA-N 453.491 3.988 10 40 JHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 409029998 BIYWTRJWWQZKSI-FPYGCLRLSA-N 458.255 3.710 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1I 409221281 NXYYQGQUXHKUSR-NTEUORMPSA-N 492.338 3.748 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCSCC3)nc12 2343665 LRPCHIFCNRQWKT-LGMDPLHJSA-N 472.661 3.700 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 2658697 PDBNVYGNHJKOMF-UHFFFAOYSA-N 482.439 3.718 10 40 JHCB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 9425672 OCQHFPCJVVGIIH-CJLVFECKSA-N 459.458 3.822 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9875111 RLWIRNFNENZGMQ-HHHXNRCGSA-N 473.529 3.949 10 40 JHCB COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCO2 96114578 PCMVQZRTFDXQGU-ZDUSSCGKSA-N 490.420 3.755 10 40 JHCB biogenic C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@@H](C)C(=O)OCC 108893206 UGIVJBUVZXGWQR-SZHLLGMXSA-N 464.518 3.606 10 40 JHCB COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 409379837 ZZLMDTXNAFGRBI-IWIPYMOSSA-N 499.523 3.996 10 40 JHCB COc1ccc(N2CCN(C(=O)N[C@@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)CC2)cc1 2725422 GJMAYFKXUCGZDE-FQEVSTJZSA-N 457.836 3.868 10 40 JHCB O=C(COC(=O)c1cc(Br)ccc1O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9402812 JNJJXGDHBPCAJH-UHFFFAOYSA-N 480.270 3.726 10 40 JHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13073907 ZZAWYLGJGWENSC-LWLPBDFMSA-N 476.488 3.682 10 40 JHCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 13670926 TWPYFPOBNHWFIB-UHFFFAOYSA-N 450.004 3.721 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N21 20206285 FVBBLEIOEIABIU-YXZMWACZSA-N 492.941 3.679 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 33675753 SAKZCKHHUVVYRM-NDENLUEZSA-N 475.457 3.652 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C 41077819 JJAQQDQIWWCBRE-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 101484070 JMMQRWZZOPIFOI-BHDDXSALSA-N 482.448 3.598 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)C1 260905695 RSKAUUYXGZKVRE-FPOVZHCZSA-N 473.614 3.779 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)OC 408845927 NQZDJNVVZGRHKH-RQZCQDPDSA-N 486.908 3.574 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 9159716 UXHLYEIYQYKYBX-WJDWOHSUSA-N 485.518 3.610 10 40 JHCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCCC1 10113226 LEAJRTSTMPJGFG-UHFFFAOYSA-N 471.623 3.790 10 40 JHCB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nc2c1 12633990 PWNGHNVFNZAIDZ-UHFFFAOYSA-N 496.633 3.656 10 40 JHCB CCCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 13505571 FKNQRMUHIJJYLJ-XMMPIXPASA-N 494.640 3.995 10 40 JHCB CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 33716858 UNIXEJRTDZMWCY-KPENOIPVSA-N 460.284 3.996 10 40 JHCB CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 35808637 YOKBRXJEWBYJIW-DPSWKAHMSA-N 497.573 3.712 10 40 JHCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)cc1 102618873 QWHGJQQWJBPSFU-FQWPPLDYSA-N 496.032 3.908 10 40 JHCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c1 106763271 RSAIAEQLGDDXDH-YVLHZVERSA-N 460.895 3.957 10 40 JHCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@H](C)C(=O)OCC 108893213 UGIVJBUVZXGWQR-VKZJTJHYSA-N 464.518 3.606 10 40 JHCB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260837025 COMFMUNMYVDITF-YADARESESA-N 473.639 3.793 10 40 JHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409064319 CNQYEDUFSPRZNQ-VVSAQIQQSA-N 459.480 3.609 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5cc(C)ccc5n34)CC2)cc1 877086 HQJNSGQSINSTRC-UHFFFAOYSA-N 461.591 3.949 10 40 JHCB Cc1cc(C(=O)[C@@H](C)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3440647 FYXPTJWBSBCGSN-MRXNPFEDSA-N 491.560 3.746 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cccc(Br)c1 10113145 MFAPWNNUEDVRAQ-UHFFFAOYSA-N 480.428 3.522 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 408912403 FSVRUJIAEYOIIT-OVCLIPMQSA-N 493.354 3.822 10 40 JHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)ccc21 409192524 YJAVTUJRJCIYKY-YXHQGMJNSA-N 453.907 3.772 10 40 JHCB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 3255133 AWXMUXHOZCRKAN-UHFFFAOYSA-N 496.950 3.712 10 40 JHCB aggregator O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13110269 PGPAQXNSNNFVRV-UHFFFAOYSA-N 460.795 3.935 10 40 JHCB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 14017210 QLRIXTNVIRTBRM-LSDHHAIUSA-N 484.464 3.893 10 40 JHCB COc1ccccc1NC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O 104124260 AFZVWDJZQQNKPY-WTVYTQLBSA-N 467.507 3.571 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223636238 VUFVBUYPHJMEQV-GOTSBHOMSA-N 464.591 3.631 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 408934369 AIAWWZHANLUVGU-XNTDXEJSSA-N 474.267 3.813 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 408942334 QKFACNIBDXKYPN-FYJGNVAPSA-N 461.405 3.979 10 40 JHCB Cc1n[nH]cc1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524487 IRMABNVZFABORI-AREMUKBSSA-N 468.561 3.526 10 40 JHCB Cc1cc(C(=O)[C@@H](C)OC(=O)CN2CCSC2=O)c(C)n1-c1ccc(OC(F)F)cc1 9118842 NYYFTVZTFNFEIE-CQSZACIVSA-N 452.479 3.979 10 40 JHCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9191216 QXUHQKFWZTWFIY-IFSHFEHQSA-N 492.517 3.877 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccco1 408530286 DVAYYYLYZDZZBN-QGOAFFKASA-N 460.442 3.872 10 40 JHCB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409346744 NVNVMOHSQBNFBH-NTUHNPAUSA-N 499.389 3.520 10 40 JHCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)N1CCOCC1 409349790 QVSOGEXBUDYBDH-UYRXBGFRSA-N 474.991 3.983 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCC(N)=O 996134 XQZHKFQYOMOOAY-RQZCQDPDSA-N 458.312 3.518 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2695988 PZIWTKJSEYKRMU-ANNUQZOISA-N 465.600 3.720 10 40 JHCB Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 9272010 ADHSLZCRKXTXIJ-HDLISZADSA-N 496.614 3.611 10 40 JHCB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1 10112156 OQGVMMHMGVRBLS-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC 100414703 UNNPNGIHDYOYIK-TZRRMPRUSA-N 497.503 3.707 10 40 JHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)c(OC)cc1Cl 408834265 UTENDGPJLWWFSX-KPKJPENVSA-N 495.713 3.795 10 40 JHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)ccc21 409191795 NMMFKLRBLGJMBC-PBSOMRJOSA-N 498.358 3.881 10 40 JHCB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 3237268 NMUGTUCAYOGWPW-UHFFFAOYSA-N 467.912 3.850 10 40 JHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 9311372 LNSAZFMGWKFRPI-AQTBWJFISA-N 461.405 3.979 10 40 JHCB COc1ccc(-c2cc3ccc(O)c(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c3oc2=O)cc1 11865356 NWROFGNHEYATEJ-XLIONFOSSA-N 470.525 3.955 10 40 JHCB biogenic COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 12867797 GNFKNUJPHNTABX-MOSHPQCFSA-N 468.941 3.870 10 40 JHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 13304693 LPDWULDRQPISCQ-FDFHNCONSA-N 455.441 3.829 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1 41083893 NIDCTGKBRQNPQK-XCGHDDSDSA-N 462.940 3.920 10 40 JHCB C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 54360717 DVFNXLPRMLNTJJ-NUEDXCKTSA-N 462.936 3.972 10 40 JHCB COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 101097807 GPSBPCRAJCYULB-SGNDLWITSA-N 488.500 3.721 10 40 JHCB O=C(N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O)Nc1ccc(Br)cc1 408532275 MFZBRGDKQGELIY-SFQUDFHCSA-N 479.290 3.891 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c1 409166463 GBHOAUVBCCVCIC-MOSHPQCFSA-N 461.543 3.943 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 409209542 GIFKOXQKGPQRIC-QNGOZBTKSA-N 484.599 3.729 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 409245752 YQBXSWBKUCLADK-LFIBNONCSA-N 467.934 3.689 10 40 JHCB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1=O 3457711 AKBUTGKLRCLSKS-MHZLTWQESA-N 473.529 3.905 10 40 JHCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cc(C)on1 44085929 UBWFLXLFEGKVCR-UHFFFAOYSA-N 451.346 3.986 10 40 JHCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 408528644 GTODGMYLAIDIEG-LZYBPNLTSA-N 460.924 3.844 10 40 JHCB Cc1cccc(COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1 408921285 AGJKNZBOBWHOKP-UHFFFAOYSA-N 494.139 3.848 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)C1=O 10059457 FVPNAQFFNBLAIO-LDADJPATSA-N 490.468 3.794 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 27016475 VVJABWDNAGICIY-QVDZNFLWSA-N 496.614 3.611 10 40 JHCB CCOc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 59488118 MQMOFZKDLAJFHS-UHFFFAOYSA-N 486.556 3.669 10 40 JHCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC 408548829 LTWNCMRDMUORGQ-OQLLNIDSSA-N 475.364 3.914 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2282395 XAHSRQRHECBXHY-HAHDFKILSA-N 485.496 3.899 10 40 JHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc2c(c1)CCC2 9882103 DWJSKISJXLRUST-UHFFFAOYSA-N 486.571 3.548 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnnn2-c2cccc(Cl)c2)cc1 12640301 ZDTPSMMZNSSIQU-NRFANRHFSA-N 487.029 3.682 10 40 JHCB O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1N1CCN(c2ccc3c(c2)OCO3)CC1 72242787 DMJXMDCEYDHBKG-UHFFFAOYSA-N 472.461 3.762 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1ccco1)[C@]21SC(=S)N(Cc2ccccc2)C1=O 102768965 KMMWZRLEGSDVLQ-RRWZXMNXSA-N 489.622 3.980 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223011277 PEOBQSBXFUJENU-VXKWHMMOSA-N 450.564 3.806 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223691192 JCAWVJAYVBPUPH-XZOQPEGZSA-N 478.574 3.723 10 40 JHCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408769301 QPNKLMNPUAGGOF-AUAXKSBWSA-N 490.556 3.864 10 40 JHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409068365 INHXJUVTJYLYML-XNTDXEJSSA-N 491.363 3.696 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2333348 CLIRACBSFJORLY-JAIQZWGSSA-N 487.424 3.569 10 40 JHCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2C)cc1 10113329 WCVAFUFCZONKDI-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=N)N21 20207171 XNCQFUGXJAKJGF-FBIWUZAXSA-N 498.586 3.544 10 40 JHCB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 32109719 WXFVLWHZPABWSX-BCNWXBLASA-N 476.602 3.694 10 40 JHCB Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33330383 FFPCJDRNXYJOPQ-LDADJPATSA-N 466.588 3.988 10 40 JHCB C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 54360715 JTRUJOMLIVIEGJ-NUEDXCKTSA-N 462.936 3.972 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(I)cc1 408722213 FGYHLTKUGGVKGA-RIYZIHGNSA-N 468.703 3.776 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 408805447 BBFRRQQOMMIMHP-HYARGMPZSA-N 486.480 3.727 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 409052958 FQTKKMCFJDEYBA-GOOXQAOHSA-N 491.588 3.538 10 40 JHCB CN(C)CCN1CCN(c2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)CC1 585133938 OOXWWYBTHBHHHG-UHFFFAOYSA-N 487.579 3.756 10 40 JHCB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9439750 WQNGYJZVNGLBSE-UHFFFAOYSA-N 459.429 3.746 10 40 JHCB CCCCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733620 WFXZPDNKMDFRHE-SANMLTNESA-N 450.627 3.576 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 108076161 SVWKKAVKEZEVOD-ZHZULCJRSA-N 471.425 3.789 10 40 JHCB C[C@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)O 12381040 TXZVJSOGFGMSTM-AVMBBCFPSA-N 465.314 3.677 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OCc3ccc(F)cc3)CC2)cc1 12545730 WBNMCRJMDFWRBV-UHFFFAOYSA-N 478.520 3.919 10 40 JHCB COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12846403 LEOQSOIJJGOCKK-DACFSCGWSA-N 480.524 3.841 10 40 JHCB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 19123464 FDPJCBRSKYRRQF-OYRHEFFESA-N 495.620 3.736 10 40 JHCB COc1ccc(-n2nc3ccc4c(c3n2)[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)N4)cc1Cl 96116741 DZJFMRUWHORNGF-ZDUSSCGKSA-N 466.881 3.976 10 40 JHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408527487 DOIWWARAOYMBLF-HKWRFOASSA-N 458.566 3.813 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c(C)c1 408757926 SLMMZZWRMFNCBP-UDWIEESQSA-N 459.462 3.681 10 40 JHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cccc1OC 409098363 QBEDVBMAWZWTMR-IQGJIOQQSA-N 470.547 3.721 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c1 409105244 KDMRAXHYVYHSKT-UDWIEESQSA-N 459.458 3.793 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 8819555 XPAHMWUMXJUJQF-ODLFYWEKSA-N 484.555 3.822 10 40 JHCB COC(=O)C1=C(C)N(CCc2c[nH]c3ccc(OC)cc23)C(=O)/C1=C\c1ccc2c(c1)OCO2 8873185 YOENIFUMLSXXKE-JMIUGGIZSA-N 460.486 3.821 10 40 JHCB COc1cccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)c1 10113518 DIERXMBAFHJRSX-UHFFFAOYSA-N 479.602 3.807 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 12609049 KKKKQVSIMVOTAE-GDLZYMKVSA-N 484.600 3.603 10 40 JHCB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 61931386 WJXQRCXCCSJIKS-OAHLLOKOSA-N 470.957 3.766 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1cccc(C)c1 408534968 NDORNLSADJHNBM-SNRJQEDZSA-N 474.513 3.873 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1I 408550083 DLYJYMOXZKDZJF-UKTHLTGXSA-N 452.635 3.611 10 40 JHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409067028 NJIASKNGGQALQM-YRNVUSSQSA-N 451.262 3.686 10 40 JHCB COC(=O)c1ccc(NCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 15133753 WKPVSIQXJJEEKU-WOJGMQOQSA-N 474.560 3.770 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)N1CCCCC1 1243423 YFYLHHVFKJPHSF-DEDYPNTBSA-N 460.490 3.749 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)c2C)cc1 3451268 OSFINDMSTLVUME-HHHXNRCGSA-N 457.530 3.765 10 40 JHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@H]21 6177641 JMVHJZVLXNTUQY-MIZPHKNDSA-N 454.548 3.541 10 40 JHCB O=C(/C=C/[C@@H]1CC=CCC1)Oc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 9347995 IMPCYPFETZEDOE-KGBOGPJKSA-N 489.640 3.893 10 40 JHCB COc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCC(C)CC3)SC2=NC1=O 41084595 BEOHZQKLLJJSJN-WWCJOAGCSA-N 492.605 3.884 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 409098776 PHMMGYCMAAVWAZ-QNGOZBTKSA-N 467.547 3.597 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1OCc1ccc(C(=O)O)cc1 409187612 SKSUVTRUSSLSFS-QGOAFFKASA-N 490.443 3.778 10 40 JHCB Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1C 409272034 XUZFDYJCVUCPGM-STZFKDTASA-N 485.496 3.693 10 40 JHCB O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccc([N+](=O)[O-])cc1 1230857 QDCMTAJQLWFCFN-ZROIWOOFSA-N 464.322 3.904 10 40 JHCB CCCSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 8612119 AOJCWPCKBZJKSV-QGZVFWFLSA-N 483.059 3.528 10 40 JHCB COC(=O)c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 48990186 TYJYZZLILHIZRJ-UHFFFAOYSA-N 460.939 3.906 10 40 JHCB Cc1c(N/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 102931302 MKMRDUMDZQWTKD-QINSGFPZSA-N 451.870 3.557 10 40 JHCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc2c(c1)C(=O)NC2=O 408531844 OUMRROYUASYZIO-SXGWCWSVSA-N 453.296 3.668 10 40 JHCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408533110 OCQKIYSTKHWHMP-UVTDQMKNSA-N 499.325 3.575 10 40 JHCB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 2661948 XYOURNCBVCHDQR-UHFFFAOYSA-N 460.458 3.723 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 9891792 IBAHNZAYNHCCMN-DHDCSXOGSA-N 481.804 3.903 10 40 JHCB Cc1cc(C)c(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)c1 13074205 NMAOFLNNUMLNPZ-UHFFFAOYSA-N 486.565 3.863 10 40 JHCB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 19501998 LEGPEBKOBIHWOJ-HXFQDRMMSA-N 493.604 3.703 10 40 JHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 223952491 XOJXOWSBYPAARP-UHFFFAOYSA-N 459.612 3.646 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 225359765 ZEBUPJORFFQFIC-UHFFFAOYSA-N 457.518 3.634 10 40 JHCB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408667325 SQWKFVQJGFMUSE-IPJJNNNSSA-N 480.948 3.693 10 40 JHCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C 408784765 SOFMKXYNLWAXLW-ODHYRZOZSA-N 492.572 3.652 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C2=O)c(OCC)c1 408953381 PDPGHWNONKSYKF-RCCKNPSSSA-N 475.501 3.950 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)c1C 409104050 IHAAIMIFUQTZIX-SKCQWOFPSA-N 456.520 3.787 10 40 JHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)SC1=S 409127969 HGFHFUFODFWFGC-QNGOZBTKSA-N 457.621 3.778 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)n1-c1cccc(F)c1 8826349 DYJNTGHMYQAXAJ-UHFFFAOYSA-N 459.477 3.878 10 40 JHCB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 18215129 XQXSIODMZAARTJ-UHFFFAOYSA-N 453.564 3.516 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59447100 YBQMJYVMLMOBLL-RGUIRCCZSA-N 473.598 3.529 10 40 JHCB COc1cc(Br)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408528496 GEZLONUOJVNPGP-PKNBQFBNSA-N 450.676 3.690 10 40 JHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408776593 WPSKJBJFVHTJPE-IBNIFWCESA-N 490.556 3.546 10 40 JHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 408945841 XOIYSDOWBWGHFB-OQLLNIDSSA-N 459.842 3.712 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409091904 VQBHMPCPOAEDRM-GZTJUZNOSA-N 476.385 3.970 10 40 JHCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 8821928 XTNVESUISJIVJO-ZCXUNETKSA-N 469.364 3.564 10 40 JHCB CCCOc1ccc(N2CC[C@@H](N(CCc3ccc(OC)c(OC)c3)C(=O)/C=C/C(=O)O)C2)cc1 9434807 DLWVAZAEQMIQQY-VDZCTEQFSA-N 482.577 3.783 10 40 JHCB COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc(OC)c1OC 12391814 GYRCGZLJXKBDSV-INIZCTEOSA-N 450.491 3.760 10 40 JHCB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422741 ZYIXFRRVUKJEOW-REZTVBANSA-N 459.549 3.749 10 40 JHCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)CC1 225793563 FUXISYUCKCAFHL-HNNXBMFYSA-N 465.645 3.799 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(OC)c4)C3=O)c2C)cc1 408740296 AYCMVSREBMNXFP-XKZIYDEJSA-N 473.485 3.556 10 40 JHCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(Br)cc4)CC3)CC2)cc1 409062971 DSTRMBKJSUTYSX-UHFFFAOYSA-N 486.410 3.659 10 40 JHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409345865 LYCIBUDOWJDCKS-BOPFTXTBSA-N 476.963 3.828 10 40 JHCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41084792 GEXWULLNRMXJHQ-GJXXPDGXSA-N 480.506 3.926 10 40 JHCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 224425591 RLUDQEPQSSYWNB-VQTJNVASSA-N 473.639 3.963 10 40 JHCB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 408733724 OZOXDXXABGVRCM-YTFSRNRJSA-N 451.478 3.686 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 409121859 YMZRJUGXLRFHGR-XDHOZWIPSA-N 465.575 3.752 10 40 JHCB CN(C)CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)CC1 585141513 AZALDSMLZBHAEB-UHFFFAOYSA-N 469.589 3.617 10 40 JHCB COc1ccc(N2CCC(O)(CN3[C@@H](c4ccccc4)C[C@@]4(C)[C@@H](O)[C@H](O)CCC[C@@H]34)CC2)cc1 585283864 PIGZADFSUOIIFZ-VNFNVIIVSA-N 480.649 3.754 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)cc1Cl 1162110 QIISJHBYLSRNCO-YRNVUSSQSA-N 456.623 3.512 10 40 JHCB Cc1ccc2nc(N3CCSCC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2393091 QCHAYZFTBADGPG-BOPFTXTBSA-N 484.628 3.551 10 40 JHCB Nc1c(C(=O)OCC(=O)Nc2ccccc2Br)ccc2c1C(=O)c1ccccc1C2=O 9403139 ZXPGAUYXSOUCOK-UHFFFAOYSA-N 479.286 3.602 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C(O)=NC2=S)cc1 16216903 MSFUAERPICVQQV-WUXMJOGZSA-N 478.280 3.743 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)=O 33784678 FWBXOBYOOVTJAZ-ZROIWOOFSA-N 479.714 3.888 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 409069717 VOYYBQXESWPUDY-XMHGGMMESA-N 482.901 3.774 10 40 JHCB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)ccc1Cl 409154067 NPEHIUZCLGMESP-VCHYOVAHSA-N 473.938 3.868 10 40 JHCB CC(C)CN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 2258016 YJCVYFIWWLCFLY-ATVHPVEESA-N 460.625 3.779 10 40 JHCB CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 12694897 JBOMGXFIXDYMRM-FQEVSTJZSA-N 455.605 3.632 10 40 JHCB Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18179949 MEHQTIIZWCGPQP-HJOGWXRNSA-N 465.505 3.994 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)N1CCCC1 409142303 XYQKHOXLJKDEMG-SYERDGIWSA-N 455.605 3.644 10 40 JHCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)c(Cl)c1 409161249 LKSXFIMPVWJXKF-CXUHLZMHSA-N 462.936 3.658 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cccc(C)c4)c3)C2=O)cc1 409273339 XKOXGOCGQJKWER-HZHRSRAPSA-N 485.496 3.688 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 409349991 WUGYHMKITZKGBP-XSFVSMFZSA-N 454.573 3.638 10 40 JHCB CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 1449948 QKURYHSRVYRUPK-JZJYNLBNSA-N 491.642 3.632 10 40 JHCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 9339667 BMZWLQXGACPUDZ-MNAFEPAFSA-N 481.574 3.658 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(I)c1OCc1ccccc1 17196971 OWKYRXOYKBLQEZ-UHFFFAOYSA-N 494.310 3.633 10 40 JHCB Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)n1-c1ccccc1F 26114669 NFJSDMLMCCEWES-UHFFFAOYSA-N 461.584 3.878 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 71835165 IPCSBIPBYFHODA-JWQCQUIFSA-N 472.589 3.909 10 40 JHCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(C)c1 408526426 BHLXUJWCRMBALX-XNTDXEJSSA-N 485.338 3.971 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)c(C)c1 408527855 FUUNRKQBDMYFPC-GIJQJNRQSA-N 454.533 3.808 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)NC1=S 409221503 REGLGZPLELALED-DEDYPNTBSA-N 459.527 3.932 10 40 JHCB COc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1OC 783623 QMXUWJVQEIQJHV-NTUHNPAUSA-N 482.128 3.690 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c(C)n1-c1ccccc1 2662323 AEZKXMBHMKLDKP-QFIPXVFZSA-N 484.549 3.812 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)C1 260905691 RSKAUUYXGZKVRE-CTNGQTDRSA-N 473.614 3.779 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3cccc(C)c3)C2=O)cc1 408537014 UINQFZBNHLSWDN-QNGOZBTKSA-N 456.454 3.889 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC 408782222 GGHSPOLANSLLMP-OVCLIPMQSA-N 459.296 3.750 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C 409256094 JUGPHGAKFVCUNZ-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB CCOC(=O)N1CCN(/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)CC1 1240843 IVJSQWUJXWMAAY-NTCAYCPXSA-N 467.473 3.609 10 40 JHCB Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1 3336970 CFSUACLIXUDLAT-UHFFFAOYSA-N 481.455 3.982 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3O)C2=O)ccc1Br 16282185 CUOCTNBATQAHOK-JYRVWZFOSA-N 480.112 3.892 10 40 JHCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 36683817 UQPMOAQJAMISLC-MHZLTWQESA-N 499.615 3.565 10 40 JHCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 225609971 SYLSWPMERTYMAC-UHFFFAOYSA-N 450.004 3.901 10 40 JHCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1N1CCOCC1 409210878 HJCXHOULWVKCAN-HAVVHWLPSA-N 492.601 3.798 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)SC2=S)cc1 409340557 ZFSJTRVWVIECLV-YBEGLDIGSA-N 464.952 3.912 10 40 JHCB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCc1ccco1)OCCO3 6446495 OWSOQBWFBTVISC-UHFFFAOYSA-N 461.543 3.969 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(C)(=O)=O 13810203 NPUNVBDLXHBESG-LFSVSOHWSA-N 469.544 3.728 10 40 JHCB Cc1nc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)sc1CC(N)=O 32871329 PZSFLUXRKCOGSM-UHFFFAOYSA-N 457.577 3.633 10 40 JHCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 33705384 UZICSMWHNXYOEF-DEDYPNTBSA-N 477.904 3.828 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]32)cc1 102667864 DXCMTIXTNZQAPA-ZRBLBEILSA-N 469.468 3.825 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OCC 107645726 HQNHARZNIFNCBG-RIYZIHGNSA-N 463.284 3.502 10 40 JHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc(Br)c1 109123416 RHADRXVMTVQQCT-WQLSENKSSA-N 454.708 3.985 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409022574 YBGIBUDBWFTITE-VGOFMYFVSA-N 479.327 3.827 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 1101145 IAOOORGJKLHLOD-LDADJPATSA-N 496.342 3.769 10 40 JHCB CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 35144804 NWNMOFGHLDJRON-YDRQLGOLSA-N 492.313 3.939 10 40 JHCB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 225952103 VIJWYETUERDYLO-UHFFFAOYSA-N 495.697 3.636 10 40 JHCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408532146 MAFICVRHUGSUGL-CYVLTUHYSA-N 468.517 3.977 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)c(C)c1 409339871 MCNIMWGOQDVWPZ-STZFKDTASA-N 468.600 3.947 10 40 JHCB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 12550525 NIULFJGBXMKIJS-UHFFFAOYSA-N 453.564 3.991 10 40 JHCB CCC(=O)NCCc1c(/C=C2\C(=O)N(CCc3ccccc3)C(=S)N=C2O)[nH]c2ccccc12 17251100 BNOWOAZFMFGBNH-SILNSSARSA-N 474.586 3.946 10 40 JHCB biogenic Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 18123003 YJZXZFLLIGBEGX-XPWALMASSA-N 451.478 3.686 10 40 JHCB COc1ccc(N2CCN(CCCNC(=O)c3nccnc3-c3nc4ccccc4s3)CC2)cc1 36413028 KZBAANDABFKNLK-UHFFFAOYSA-N 488.617 3.704 10 40 JHCB Cc1ccc(C)n1-c1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 40158369 MOJYXNNQYXOPNN-UHFFFAOYSA-N 490.379 3.666 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(I)c1O 59136136 PGLMYVMZIOKJAE-UXBLZVDNSA-N 498.273 3.816 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(F)c1 107828436 LORVHLNOTCCKJC-BKUYFWCQSA-N 475.476 3.703 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c([N+](=O)[O-])c1 408894356 CETOYZKCCNYQRU-UDWIEESQSA-N 474.473 3.986 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)cc1 408953896 QMIKIVKNJIENLM-IZZDOVSWSA-N 486.141 3.645 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 409019182 PSRWYLSWNBHPFA-OEAKJJBVSA-N 458.518 3.943 10 40 JHCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 1186694 YHBCJIZJUPRLDL-ZDLGFXPLSA-N 496.317 3.633 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2259776 FGWIUVBCCCBLDW-LSCADSNKSA-N 480.615 3.758 10 40 JHCB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 9209302 FSBFBPNQXWOYCZ-MURVUTHMSA-N 484.666 3.912 10 40 JHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 101099911 LPDWULDRQPISCQ-BHDDXSALSA-N 455.441 3.829 10 40 JHCB Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1-c1ccc2c(c1)OCO2 102257839 FHHVSFKKMVVUBU-LEVZQSSMSA-N 451.519 3.880 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c(OC)c1 409104036 CWJROPVESSNMDB-UDWIEESQSA-N 477.542 3.648 10 40 JHCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c1 409233504 GAMAVDYHTIKGHC-GDNBJRDFSA-N 458.381 3.963 10 40 JHCB CCNc1nc(NCC)n2c(SCC(=O)N(CCc3ccccc3)Cc3ccccc3)nnc2n1 9373480 VITKSPULFPDREF-UHFFFAOYSA-N 490.637 3.747 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C(=O)O)cc1 223619205 KCCUZGHLHXHFAP-FCHUYYIVSA-N 450.564 3.542 10 40 JHCB O=C1NC(=O)C(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc23)C(=O)N1 408808532 PZRKJVOUDLFKLF-UHFFFAOYSA-N 451.276 3.931 10 40 JHCB COc1ccc(N2CCN(C(=O)C[C@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 4057991 GQVAZRPTIDECAW-VWLOTQADSA-N 474.561 3.936 10 40 JHCB COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(N)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 8652878 CVYPFSWTHXCTKR-PAWHMVCQSA-N 490.512 3.808 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 33667611 QJBFNBLKYHWZEM-UNOMPAQXSA-N 460.402 3.543 10 40 JHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 95471607 DOVZDGKHWUMSDS-PTNGSMBKSA-N 454.328 3.666 10 40 JHCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123934 IPOWYZJWFKHMOX-CUDYFHFOSA-N 480.550 3.883 10 40 JHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C1=O 409044215 UJQGBGATKNILHI-XDHOZWIPSA-N 456.520 3.870 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cccs1 409061386 WVAYRDLMZGNPFW-HWYOBBEWSA-N 493.654 3.850 10 40 JHCB CCCOC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 1781845 SARNIUVOFIXKQO-JYRVWZFOSA-N 460.371 3.621 10 40 JHCB CCn1c(/C=C2\C(=O)N(C)c3ccccc32)nc2ccc(I)cc2c1=O 9070679 QUFJKASUBNAVHN-KAMYIIQDSA-N 457.271 3.538 10 40 JHCB O=C(NC1CCCCC1)NN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 9234579 DPXHHCHQLSFCGM-DHZHZOJOSA-N 477.349 3.632 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccccc3SCC(=O)NCc3ccco3)CC2)cc1 9516719 UATMPTKJQFAOLV-UHFFFAOYSA-N 465.575 3.659 10 40 JHCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 54360665 HSZUEBRGIXQGNU-GEBKJHSDSA-N 477.007 3.829 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)cc2)C1 223188424 JPWIXXVTBNZJJQ-MRXNPFEDSA-N 471.608 3.505 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 408740610 HKKPVQWTFUVCGJ-NTUHNPAUSA-N 480.112 3.887 10 40 JHCB COc1ccc(OC[C@@H](O)Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 604404403 MYCHJSWBTZRCIA-INIZCTEOSA-N 487.508 3.679 10 40 JHCB biogenic COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 9159857 KPHBJKPQIFCCBQ-HHGYXRTLSA-N 483.509 3.977 10 40 JHCB Cc1cc(C)c(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c(C)c1 13074208 KISFZRMIKFNYJX-UHFFFAOYSA-N 486.565 3.863 10 40 JHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18117491 CDYCBOBSXDNMEZ-VABKMULXSA-N 458.474 3.712 10 40 JHCB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854988 NLGZHUNJLNPZEU-JOCHJYFZSA-N 479.606 3.988 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1 22929337 PVVMHWBRCHMXDO-VWLOTQADSA-N 463.605 3.576 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]23)cc1 102132814 BENQTCPXQNJRAZ-BHDDXSALSA-N 455.441 3.829 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(C)C 408989703 LLPDFLNIDAJHKF-XDHOZWIPSA-N 454.548 3.960 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)cc1 409233749 WPNKZQNLZRQIIX-HMAPJEAMSA-N 497.573 3.606 10 40 JHCB O=C(O)CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2288730 QLQUIBKJMFTJLG-KNGSKEOJSA-N 476.488 3.764 10 40 JHCB O=S(=O)(c1cccs1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 25719087 DHHJNXKPPIJERM-UHFFFAOYSA-N 467.410 3.876 10 40 JHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 27530549 FJIXXWBYUBDLSF-LTGZKZEYSA-N 467.616 3.635 10 40 JHCB O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96220860 MDZCNRROXNRJBC-CYBMUJFWSA-N 477.381 3.632 10 40 JHCB biogenic Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 102229049 LKEYFORHKHFQPX-KDURUIRLSA-N 488.487 3.597 10 40 JHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 106710282 IGSHBTYMWPJAJY-UNOMPAQXSA-N 459.955 3.643 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 224035574 CNALQPHMFZUSBY-DEOSSOPVSA-N 471.667 3.824 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504865 QOONVFNKGJHWGY-RUZDIDTESA-N 476.531 3.920 10 40 JHCB CC1CCN(C2=NN3C(=N)/C(=C/c4cccn4CCOc4ccccc4)C(=O)N=C3S2)CC1 41084584 XRWNVMNRFBHSTG-FOSZEWQZSA-N 462.579 3.876 10 40 JHCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)/C=C/c2ccccc2)C1=O 408537799 XJAYPTJFHGXCSX-GDBZGQKOSA-N 468.465 3.980 10 40 JHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 408946729 AWLJUVLKZMIKHH-VGOFMYFVSA-N 473.279 3.631 10 40 JHCB CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O 4641592 PWRLVEWXQPTLBZ-SFHVURJKSA-N 496.463 3.908 10 40 JHCB COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 8871598 UTFFNPRAWIPHBA-CPNJWEJPSA-N 488.587 3.951 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC 16576057 FWKPVZJRUWKQLW-FMEKEEGESA-N 468.550 3.779 10 40 JHCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccccc1C 43910663 WITQEAPGFUVEIQ-JMSHBIQUSA-N 451.508 3.871 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)cc2)cc1[N+](=O)[O-] 58865841 QEPXDPCZXWZVMA-UHFFFAOYSA-N 487.486 3.815 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCC)c3O)C(C(=O)OC)=C2C)cc1 408585716 HNTXVFSOXDEZEU-RGEXLXHISA-N 451.475 3.845 10 40 JHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 408693931 CCDVYLPORMCDTF-FYJGNVAPSA-N 457.486 3.792 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)S1 409084369 XTWWEPCNGFGYPU-CXUHLZMHSA-N 471.343 3.868 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC4CCOCC4)c4ccccc34)[C@H]21 1565524276 DTDUGKLJTVEBFM-MHZLTWQESA-N 472.589 3.721 10 40 JHCB CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 1450269 JZFSIWNKXMEHDR-HKWRFOASSA-N 491.642 3.551 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)NC1=S 2115113 UMBHGEQENQILSI-KGENOOAVSA-N 499.592 3.940 10 40 JHCB biogenic Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(C)n1-c1ccc2c(c1)OCCO2 9284518 JJQQUBPYBJDZEJ-FQEVSTJZSA-N 494.569 3.958 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504121 ANABADISGYZGGP-DEOSSOPVSA-N 463.630 3.804 10 40 JHCB COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c(OC)c1 22404281 KUWFWIZQCXUJFQ-FQEVSTJZSA-N 450.378 3.637 10 40 JHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3cccs3)c3ccc4c(c3)OCO4)CC2)cc1 22851377 BUQKXNHWQOGJOI-NRFANRHFSA-N 465.575 3.779 10 40 JHCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CC[C@H](c5ccccc5)C4)c3=O)CC2)cc1 101412870 PJGXFBRLOOWTGJ-QFIPXVFZSA-N 475.589 3.666 10 40 JHCB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1F 101484854 OXZGSFKSBBACKX-PWRODBHTSA-N 459.404 3.660 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl)Nc1ccc(F)cc1 108154963 VFRKVSTVIFXHSA-VCHYOVAHSA-N 497.866 3.752 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Br)c3)C2=O)cc1 408901358 XKYZEEQZCHJCLL-WJDWOHSUSA-N 459.296 3.913 10 40 JHCB COc1ccc(N2CCN(c3nc(C)c(Cc4ccc(Br)cc4)c(=O)[nH]3)CC2)cc1 9096433 SKZMDHVUIVBCLL-UHFFFAOYSA-N 469.383 3.767 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 33536773 FQVXDBHKTJGIJB-UNOMPAQXSA-N 477.904 3.828 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223690940 IKOVEEOXFQCKMO-PKTZIBPZSA-N 478.574 3.723 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222994923 CJYFQPBMYKCLDC-IZZNHLLZSA-N 491.661 3.945 10 40 JHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1OC 408531998 RXQDQDWLQKVGNP-UYRXBGFRSA-N 451.475 3.758 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408814275 YXJKCZHPXUBDCH-DEDYPNTBSA-N 459.414 3.546 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC 408915783 YMBFEKDRBADRED-VGOFMYFVSA-N 463.259 3.662 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 408917389 SOONKAOXNYXBLZ-CXUHLZMHSA-N 489.391 3.992 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1 409045046 XVGRLDCRSIFVBG-NTUHNPAUSA-N 496.111 3.592 10 40 JHCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Br)cc1 409103550 CIRCJTVIFSHFJD-PDGQHHTCSA-N 487.329 3.720 10 40 JHCB Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1C 409259844 GLVOHWSBCMUMFU-UHFFFAOYSA-N 478.357 3.542 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccc(C(=O)O)cc4)c4ccccc34)[C@H]21 1616044645 MURLGNJRJVUQNT-MHZLTWQESA-N 494.551 3.803 10 40 JHCB COc1ccc(N2CCN([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9408756 FXAIMPPUQMOFQV-PKTZIBPZSA-N 464.031 3.760 10 40 JHCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 10525998 IKKGLRNMXRGYRK-OAHLLOKOSA-N 492.500 3.771 10 40 JHCB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCOC)C2=O)cc1 13758559 OAYDIUCGAVAYLD-JXAWBTAJSA-N 467.572 3.897 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccc(OC(F)F)cc1 22525174 HSORPDMUYOGLJI-AWEZNQCLSA-N 450.482 3.972 10 40 JHCB CCCCC(=O)Nc1ccc(S(=O)(=O)O)c(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 104205718 YJMLQEMPMUOIKW-BBJJLJPOSA-N 457.512 3.937 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1 223138091 UABQPNIMYSMTFK-JWQCQUIFSA-N 461.635 3.794 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223673903 URBBLNVQKCFYEW-DNQXCXABSA-N 492.601 3.811 10 40 JHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 408770226 UXANHUMJDIXEGT-UHFFFAOYSA-N 482.470 3.540 10 40 JHCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408803497 PTOJPXAJJKLQNS-UHFFFAOYSA-N 455.681 3.984 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 408901515 YJNFWQYRGMSMNM-KGENOOAVSA-N 485.496 3.688 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C(=O)NC1=S 9264478 UXTXMLWBDGDEKF-SFQUDFHCSA-N 465.918 3.969 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@@H](CO)Cc1ccccc1 10232912 KBRQQSUIVSMGHJ-MCRQTXEHSA-N 461.008 3.651 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 225590649 PGGVLZAUDDWUKS-KRWDZBQOSA-N 452.020 3.966 10 40 JHCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 408531959 PGSXAEIUODUOQY-FOWTUZBSSA-N 476.537 3.619 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1 408808031 CUIWDVYSPOPHPM-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)C1=O 408890812 ZOHQXMUUEIQWMZ-PGMHBOJBSA-N 490.537 3.992 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2454608 KEMCHWFDBCLIDZ-SXGWCWSVSA-N 462.936 3.974 10 40 JHCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nc(C)cs1 44085992 BXTOXVWOJMTOPV-UHFFFAOYSA-N 481.397 3.981 10 40 JHCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br 409199058 BFNLUKBYVJKNGL-LDADJPATSA-N 489.345 3.966 10 40 JHCB CCNc1nc(NCC)n2c(SCC(=O)N(CC)c3cccc4ccccc34)nnc2n1 3269357 HFKWGNLRSXURJN-UHFFFAOYSA-N 450.572 3.681 10 40 JHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 6576912 JAFDXWVQNKUNSI-XPWALMASSA-N 457.486 3.502 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cccc2ccccc12 10113154 CCPXNRFATFXAIA-UHFFFAOYSA-N 451.592 3.913 10 40 JHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 100497504 LPDWULDRQPISCQ-BHIFYINESA-N 455.441 3.829 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223655441 BQOJUCMLDXECCC-DHIUTWEWSA-N 478.574 3.723 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)cc1 408962406 RMLJIJLIRJMIRY-XDHOZWIPSA-N 462.483 3.793 10 40 JHCB CN(C)CCCNc1cc(N2CCN(C3CCCCC3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9130700 JIVXFTQQUAUIKC-UHFFFAOYSA-N 489.664 3.863 10 40 JHCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1cccc(F)c1 33792908 IUOCRSHWLYZRLA-NDENLUEZSA-N 465.868 3.958 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)cc1Cl 408988061 QGXAFRFMGPKRNJ-UUILKARUSA-N 463.671 3.806 10 40 JHCB C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1)c1ccccc1 10036607 PHZFWGHIQNJKSR-NRFANRHFSA-N 493.629 3.835 10 40 JHCB O=C(CN1CCN(c2ccccc2)CC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 13056100 IZNMUJAQWDVGGA-UHFFFAOYSA-N 459.933 3.876 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13643884 BOIXKDCOXJAIRB-GUUQCMFRSA-N 486.663 3.723 10 40 JHCB CC(C)[C@]1(C)CC[C@@H](C(=O)Nc2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 16739497 YPYKPUFUQFVHBP-YRVHMGLVSA-N 494.588 3.739 10 40 JHCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409123904 IYWRTDLEZLLECT-MTJSOVHGSA-N 480.615 3.590 10 40 JHCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 409263577 HWIYHFYBZZAJRD-HKWRFOASSA-N 471.538 3.844 10 40 JHCB COc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)cc1 409378114 MARHPZHXSPJFHR-HYARGMPZSA-N 489.459 3.518 10 40 JHCB Cc1ccc(CN(c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1 10113378 WBHWBEHAXPPMRS-UHFFFAOYSA-N 493.629 3.728 10 40 JHCB COc1ccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 13613439 KTDOZFRFLOEWJR-UHFFFAOYSA-N 480.030 3.811 10 40 JHCB CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 20436459 JWGDLGZRBPLFBT-UHFFFAOYSA-N 452.507 3.523 10 40 JHCB biogenic COc1ccc(OC)c(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 26503260 UEYVSXWHKSHPIE-CPNJWEJPSA-N 467.572 3.907 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222994960 CJYFQPBMYKCLDC-CLJLJLNGSA-N 491.661 3.945 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccccc1 408534549 MIGILNOTDQZNAE-BLPCBHLFSA-N 460.486 3.565 10 40 JHCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2)N[C@H]1c1ccc(N(C)C)cc1 408986739 DHLLSXNYLIJVFC-QFIPXVFZSA-N 452.580 3.962 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409253427 ULZALRWAOJEFGA-LDADJPATSA-N 465.575 3.752 10 40 JHCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(O)cc2O)c1 36360611 ITOACZDZMFSJQX-HSZRJFAPSA-N 480.524 3.929 10 40 JHCB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 57054206 CGWOUQBLPBCFOH-HNNXBMFYSA-N 470.957 3.766 10 40 JHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)C1 260759311 AKDLZARBJJSTKA-RBUKOAKNSA-N 461.603 3.701 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 408843883 HLWXFOVBYAHYMR-FMIVXFBMSA-N 467.330 3.851 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 409208882 CXENQQGAGTYEGT-FYJGNVAPSA-N 490.491 3.551 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1 409227706 VFFWNZLYUHVIQS-PXLXIMEGSA-N 485.496 3.688 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 8815737 FOVLHAGNRXBHSV-UDWIEESQSA-N 459.458 3.793 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c1 9066441 QHVKBXQRVGAICY-UYRXBGFRSA-N 462.483 3.875 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)n1-c1ccccc1 9469620 IBLXLUINXVCZPT-HHHXNRCGSA-N 473.529 3.905 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(O)cc1C(=O)O 10232963 BOGZBNXKFQXBLL-YVLHZVERSA-N 460.508 3.850 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC 12411413 XLEGYQXBMZZPOD-XNTDXEJSSA-N 459.296 3.913 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 35105366 CKFWUFUBGGIQOX-HMAPJEAMSA-N 454.461 3.881 10 40 JHCB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 409350809 VYBWCHFAEMQZQK-KGENOOAVSA-N 451.548 3.815 10 40 JHCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCN3CCOCC3)C2=O)cc1 8819793 RARDORWEKDOEQM-UZYVYHOESA-N 475.680 3.595 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 9607763 QHORHKKIMLOBMR-HHHXNRCGSA-N 462.594 3.579 10 40 JHCB Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1O 26786804 KKLVXGMZPNSLEB-UHFFFAOYSA-N 482.923 3.896 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(F)c1 223140143 SGVFWQJMXVFESN-RPBOFIJWSA-N 479.625 3.933 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223673684 ZQAVNNPIDFLVCY-DNQXCXABSA-N 492.601 3.811 10 40 JHCB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 260813120 PSSOGMDIPXNZQM-NHCUHLMSSA-N 457.640 3.870 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(F)cc1 409190396 YGYMREUSXPQXSU-UDWIEESQSA-N 463.490 3.763 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 409230289 CYCYIRUBZAGUJY-LDADJPATSA-N 471.355 3.609 10 40 JHCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@@H]2C)cc1 8791095 HORBAYPOSKXLJO-NZPGQAAJSA-N 454.611 3.731 10 40 JHCB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18115842 UMLULVIXRRRYMS-RJGXRXQPSA-N 467.477 3.780 10 40 JHCB biogenic O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 18180991 OXZGSFKSBBACKX-PCCBWWKXSA-N 459.404 3.660 10 40 JHCB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220893 QGJHYCMBMKFGCF-HNNXBMFYSA-N 478.453 3.986 10 40 JHCB biogenic CN(C)c1ccc([C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)NCc2ccncc2)cc1 104827517 ARHZOUXURPKNGE-QFIPXVFZSA-N 456.546 3.809 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1O 223185575 XVZCMQCYFZNALE-IZZNHLLZSA-N 491.661 3.890 10 40 JHCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 224425547 RLUDQEPQSSYWNB-WOJBJXKFSA-N 473.639 3.963 10 40 JHCB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408667331 SQWKFVQJGFMUSE-KNKQGSTJSA-N 480.948 3.693 10 40 JHCB COc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 9494170 GPBROFOQGYPWRH-FGHGPBMPSA-N 450.541 3.785 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3ccccc3C(=O)OCC(=O)C(C)(C)C)CC2)cc1 12516704 HVWOUJLDKPUKLN-UHFFFAOYSA-N 484.618 3.908 10 40 JHCB CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(C(=O)O)cc2)N=C1C 15932045 UMOWWXRQSSXTIP-WOJGMQOQSA-N 487.306 3.895 10 40 JHCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(NC(=O)C(C)C)cc34)CC2)cc1 36357050 ZQVQFTMZWCGXCG-HSZRJFAPSA-N 450.539 3.719 10 40 JHCB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408670773 YCABJHASVILVAR-VWPQPMDRSA-N 480.948 3.693 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408936580 GTEIDSXESHCPAD-FYJGNVAPSA-N 487.424 3.538 10 40 JHCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 409059646 WAQZNZKOSNDYPB-VGOFMYFVSA-N 450.234 3.967 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NCCOC)c12 409137542 VTPBQBBNKGYBDD-NDENLUEZSA-N 483.615 3.961 10 40 JHCB COc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2229551 UFQGPQYKGOQUDV-QNGOZBTKSA-N 485.496 3.984 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)OC 9311102 ZFOLDBMITGZTKX-RQZCQDPDSA-N 486.908 3.574 10 40 JHCB COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 20358910 NDVGWZVFDWQYTC-UHFFFAOYSA-N 492.450 3.844 10 40 JHCB biogenic COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221780 FWJNLDYZWOMVMK-CYBMUJFWSA-N 462.410 3.732 10 40 JHCB biogenic COc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)NC2=S)c(OC)c1 409096974 MSQUXIBAZRCICU-WOJGMQOQSA-N 454.548 3.976 10 40 JHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1cccc(Cl)c1 409107866 XHMWFKFKXRATMG-UNOMPAQXSA-N 457.939 3.852 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OCC)c3)C2=O)cc1OC 409129152 IWUUKTIWRVSLMA-LDADJPATSA-N 468.506 3.553 10 40 JHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 409207702 XTSBCEDSMWZJIE-FYJGNVAPSA-N 467.547 3.979 10 40 JHCB O=c1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)c(Cl)cc2c2c1CCCC2 524729034 ABFNHEYFMSPZHB-CABCVRRESA-N 452.938 3.812 10 40 JHCB biogenic Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1Cl 9135770 HBUZIPZTZQJSIB-HSZRJFAPSA-N 455.002 3.923 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C)cc1 10112157 HPBJNCLBTMAPLU-UHFFFAOYSA-N 479.602 3.871 10 40 JHCB COc1ccc(N2CCN(CN3C(=O)C4(OCC5(CO4)C[C@@H]4C=C[C@H]5C4)c4ccccc43)CC2)cc1 12420889 YSQVFHTXSMATQB-QYXCYVSSSA-N 487.600 3.604 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 12606195 LHGIOIYEICRSAN-QFIPXVFZSA-N 483.613 3.987 10 40 JHCB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 13145430 SYCYDXBCOWVJGQ-UHFFFAOYSA-N 484.574 3.587 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 26531871 FFOALXMQEAQQJL-ZAODVUJUSA-N 486.663 3.805 10 40 JHCB COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)c[nH]c2c1 28296896 PLWQLWYGUNOBKJ-RGVLZGJSSA-N 451.573 3.737 10 40 JHCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123928 IPOWYZJWFKHMOX-ZUSALWDXSA-N 480.550 3.883 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223011561 BMNNTFHYDJHDSX-VXKWHMMOSA-N 450.564 3.806 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225863327 AWFNXBUYFKZDKM-UXHICEINSA-N 487.666 3.992 10 40 JHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(OC)c(OC)c(OC)c3)c3ccco3)CC2)cc1 56946017 VGWCKQLKLHTOHP-QFIPXVFZSA-N 495.576 3.607 10 40 JHCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OC 408937755 JTDHGVJJMLHXML-OQLLNIDSSA-N 476.270 3.750 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C 409254692 IJXKXVSUWWALPG-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1 8819182 UCEWAUISAFQYHL-WQRHYEAKSA-N 473.532 3.929 10 40 JHCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(F)c(F)c1F 9187122 KUSLMJPTTURQSJ-GZTJUZNOSA-N 477.464 3.616 10 40 JHCB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1cn[nH]c1-c1ccccc1 9411180 ZOYLFZCOQUIFQZ-ZHZULCJRSA-N 460.519 3.777 10 40 JHCB O=C1[C@@H]2[C@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(F)cc1 9447654 DXSRGCQCCJDVEK-TVQWTUMOSA-N 499.498 3.529 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408536110 PTJPDHDBHNXFNT-ZHZULCJRSA-N 471.425 3.789 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br 408809980 ORGNWXSUDWCOCY-LFIBNONCSA-N 487.306 3.691 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409237410 UILDTDHBGDKSLH-GIJQJNRQSA-N 464.865 3.507 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 8772094 OHTUEZHHJSLYBA-UWCCLZHFSA-N 480.615 3.840 10 40 JHCB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)CC1 10113442 HCZPRUYGDCOBAP-UHFFFAOYSA-N 492.041 3.527 10 40 JHCB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19820728 XWFOHOLBMNDABE-DNQXCXABSA-N 471.513 3.806 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(C)c1 409265811 PIRAVHWNIVHSQA-STZFKDTASA-N 485.496 3.693 10 40 JHCB Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(Cc4ccc(O)c(O)c4)CC[C@H]2CC(=O)N3)cn1 1534646405 JTPTXVISHAMZRO-PMACEKPBSA-N 462.550 3.748 10 40 JHCB CCN(CC)CCNC=C1C(=O)N(c2ccccc2C)C(=S)N(c2ccccc2C)C1=O 19950216 YCLAFZZXSFBNAM-UHFFFAOYSA-N 450.608 3.783 10 40 JHCB COc1cc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc(OC)c1OC 20650602 GCOVQPILSGBZPY-DEOSSOPVSA-N 452.551 3.917 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2OC)C1=O 408526530 CJUKZMZTYDKMAC-GXDHUFHOSA-N 489.282 3.507 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)CC2)cc1 408924256 FGKKCIJXPDMFRP-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 1480754 CBIORHWQXDOQIW-LSPINASFSA-N 480.615 3.587 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 8747633 ARHMYHPTTHQNAL-UHFFFAOYSA-N 459.518 3.519 10 40 JHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 8780905 WZJYOIGVPJSODG-MHWRWJLKSA-N 475.844 3.988 10 40 JHCB Cc1ccc2nc(CCCn3ccnc3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 8858216 LMSLGEILXNLPIO-NDENLUEZSA-N 491.598 3.827 10 40 JHCB COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)c2ccccc21 27549105 AOAFKJJAUNZQTG-KGENOOAVSA-N 488.544 3.918 10 40 JHCB CCOC(=O)c1c(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)sc2c1CCCC2 97944357 KXMZOPOWKAKKSV-VBKFSLOCSA-N 453.520 3.691 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 408853426 SDYCOJHXVJIIIY-VZUCSPMQSA-N 484.075 3.723 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nnc(C)s4)c([N+](=O)[O-])c3)C2=O)cc1 408990299 KJFXPHBYBCQRBU-OQLLNIDSSA-N 481.515 3.881 10 40 JHCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)c1 409108939 YXKIBJFEDIAPNF-SKCQWOFPSA-N 456.520 3.787 10 40 JHCB CCc1cccc2c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)cn(CC(=O)N3CCCCC3)c12 409197465 GAVSGFWYXBNIPO-JCMHNJIXSA-N 476.577 3.621 10 40 JHCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c3ccccc32)c1 409238712 NMISKKSBUPTFDF-LPYMAVHISA-N 479.496 3.650 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)cc(OC)c1OC 12276148 MRDAYIHNCQJPDM-AQTBWJFISA-N 464.609 3.753 10 40 JHCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 13672024 NUVNCMNEBTVRFL-UHFFFAOYSA-N 465.575 3.562 10 40 JHCB COCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 26840770 MVGOSZHUHIVTJK-GHRIWEEISA-N 453.545 3.643 10 40 JHCB CN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N(C)C1=S 59139363 SQXSOCWMVYKBQR-UHFFFAOYSA-N 463.328 3.766 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223673992 FSEVPDMCGXRAKF-ZEQRLZLVSA-N 492.601 3.811 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 224264170 LBMHACPITAMESX-UHFFFAOYSA-N 473.639 3.575 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC(C)C)c1 408810664 MNMGUVULYLWPCJ-LICLKQGHSA-N 459.296 3.911 10 40 JHCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 17107706 UNLYLPKSJRMDTM-OCEACIFDSA-N 462.495 3.590 10 40 JHCB CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 299817195 LAUDQVBGQWVXEM-KCTPEUGASA-N 487.637 3.937 10 40 JHCB in-vitro COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409050466 WCLITMLXMXYJTQ-NTUHNPAUSA-N 496.111 3.592 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCC)C2=O)cc1OCC 409190263 QZGFHVQXIUQGAC-XDJHFCHBSA-N 452.507 3.935 10 40 JHCB CN(C)CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]c5ccc(F)cc5c(=O)c4c3)c2)CC1 585133933 FMFRVDKWKMUEGJ-UHFFFAOYSA-N 487.579 3.756 10 40 JHCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)CC(C)(C)CC4=O)[C@@H]3C2)cc1 9340205 DBFWQVCIAXHIEU-QFIPXVFZSA-N 463.534 3.799 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 16914447 YRFDBPSTZOXGMG-VWLOTQADSA-N 490.579 3.914 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 19502003 DBICFSMPMVVPEJ-KVOKEACQSA-N 491.588 3.507 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Br)cc1 59139262 KUYVGGONBRLYGF-UHFFFAOYSA-N 475.364 3.635 10 40 JHCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223206816 OECIELCEVGCEAB-IZZNHLLZSA-N 491.661 3.884 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NCCOC)c12 409141686 WJFAGBCMFOYINP-MTJSOVHGSA-N 494.642 3.763 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409240736 POVFNTIKVNHQOM-OQLLNIDSSA-N 450.438 3.944 10 40 JHCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)ccc21 9425324 VKOCVYOUDSHGAX-LTGZKZEYSA-N 477.561 3.571 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(c2ccc(OC)cc2)CC1 13504200 FMNNMEBESDJUAZ-HSZRJFAPSA-N 480.613 3.756 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c(OC)c1 16914824 LVXHYVGAHUASCI-RUZDIDTESA-N 495.645 3.848 10 40 JHCB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1 38772473 NTDUXPBERPVJMZ-UHFFFAOYSA-N 469.651 3.844 10 40 JHCB CCCCOC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cl 408533014 NVFSPDMDJMXVMW-AQTBWJFISA-N 471.897 3.884 10 40 JHCB COc1ccc(N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)Cc2ccccc2)cc1 11606491 CNUWQPSMRZUSAY-UHFFFAOYSA-N 457.452 3.874 10 40 JHCB COc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O 14944137 WATPMXFGEZTSNF-DPSWKAHMSA-N 495.582 3.557 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OC 16914738 UCOKGURXTRJDTJ-RUZDIDTESA-N 495.645 3.848 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=N)N21 20205965 DZTAYTJCAPNHIA-ATKCCKKESA-N 474.951 3.540 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c2C)cc1 96234412 BUEUFCXHENMOAK-CIAFOILYSA-N 457.486 3.793 10 40 JHCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1OC 102672214 DNENMPQCGGKATE-VXNXHJTFSA-N 497.503 3.707 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)OC 408983152 KZPWMDGZJKUHHE-YVLHZVERSA-N 486.908 3.519 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1C 409258938 YITQRZROHUOQFB-HAHDFKILSA-N 469.497 3.987 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC)C3=O)c3ccccc32)cc1 1742130 GEEFJCSIKGSDRR-VXPUYCOJSA-N 467.572 3.662 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38773221 ASFTWDPCFWVDAG-RUZDIDTESA-N 483.678 3.968 10 40 JHCB COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)c1 101099811 ITCQMQJPRGFTLU-DNVJHFABSA-N 467.477 3.699 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)ccc1Br 208471277 CUOCTNBATQAHOK-MDWZMJQESA-N 480.112 3.892 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622693 PZXCZWCZCUNNPK-GOTSBHOMSA-N 481.578 3.761 10 40 JHCB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)s1 260772556 ZGLFBXVIPYZFKR-INIZCTEOSA-N 485.635 3.814 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OC 408900077 WYMYIMHIOWQNLR-GDNBJRDFSA-N 459.296 3.831 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409267889 PQCFISZBKSPVFN-STZFKDTASA-N 499.523 3.996 10 40 JHCB CCOC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 6143040 LPRQIHOKYOYYBP-INIZCTEOSA-N 492.619 3.513 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 13775052 FXVBUVDOBANNOY-IWIPYMOSSA-N 499.523 3.895 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1Cl 16312842 CJQWRIKCHFJSMG-MLPAPPSSSA-N 493.697 3.541 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 20141161 ZNZUODPKZHQOOI-RUZDIDTESA-N 458.541 3.781 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100371468 OXUIUSNSOPMBHV-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 101099836 GRCNEYWMYYTEJQ-BHDDXSALSA-N 482.448 3.598 10 40 JHCB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 101482517 GRFMIDRYNOVTIM-YTFSRNRJSA-N 467.477 3.780 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1F 107981646 AJMGPNMESYAYGB-WQRHYEAKSA-N 463.421 3.783 10 40 JHCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C 408535862 UFEGFABASXDXAC-MHWRWJLKSA-N 485.338 3.971 10 40 JHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409233366 VHWWYCNKVPZNCF-FMIVXFBMSA-N 451.729 3.942 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OC)c(OCC)c2)C1=O 409241643 KYBAKMBDFKCNIP-GXDHUFHOSA-N 489.322 3.922 10 40 JHCB O=C(NN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S)c1ccc(Cl)cc1 409343194 CVIDWYAMWTUDPO-QGOAFFKASA-N 459.980 3.723 10 40 JHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 260762336 HUQNXJAQTLQSLJ-RBUKOAKNSA-N 459.612 3.575 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(C(=O)O)c1 408902543 JLLQGSPRQHDTON-DEDYPNTBSA-N 460.417 3.769 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409233382 VMFMGJVXLJKFFS-RCCKNPSSSA-N 450.514 3.910 10 40 JHCB O=C1NC(=O)C(=Cc2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)o2)C(=O)N1 409271607 KMRLMOWYCMJLKZ-UHFFFAOYSA-N 460.393 3.656 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3Cc3cccs3)CC2)cc1 13505303 VGFIQWMLJJMCFV-VWLOTQADSA-N 489.649 3.769 10 40 JHCB COc1cccc(-c2cc3ccc(O)c(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c3oc2=O)c1 20760873 YHKCDUGPWBMDFQ-XLIONFOSSA-N 470.525 3.955 10 40 JHCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 107839320 LCQJDYJXULZGNY-UNOMPAQXSA-N 460.402 3.543 10 40 JHCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 408739711 DUQRJSXOKQWWOB-NTEUORMPSA-N 493.155 3.944 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC 408769462 VMTLCQQMIMPFFN-LICLKQGHSA-N 486.908 3.655 10 40 JHCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-] 408786994 ZHZYFUMKNQDLJO-VGOFMYFVSA-N 474.267 3.649 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 409018143 SLCWWDZOTZOVQM-LDADJPATSA-N 450.447 3.704 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1O 409253233 ZENOGCVEGKLOMJ-MDWZMJQESA-N 461.337 3.693 10 40 JHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1cccc(C(=O)N2CCC[C@H]2C(=O)O)c1 604406138 XEXQOOQSUUIREL-QFIPXVFZSA-N 464.477 3.891 10 40 JHCB biogenic Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 8825173 XMLAMEQCVRZTEZ-HNNXBMFYSA-N 469.526 3.865 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1cccc(F)c1 9835787 CKOITWYHHPTHCR-AREMUKBSSA-N 477.492 3.654 10 40 JHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 12275018 UBCQPFJCTLRBKO-LPJIALBHSA-N 455.355 3.616 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 33708833 PHZKAUJMBGFBQJ-ZDLGFXPLSA-N 493.859 3.987 10 40 JHCB COc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1 41084742 WQYBOGCQEIWVKY-COGBYSKYSA-N 478.578 3.638 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)c1 96234393 NVKVUFBVZRVUAQ-KOEQRZSOSA-N 484.556 3.906 10 40 JHCB C[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 224870310 FPYUUTTYBXWPQX-RBUKOAKNSA-N 459.612 3.717 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408604525 VBADGEPWSWPNIQ-YBEGLDIGSA-N 453.794 3.880 10 40 JHCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)c1 8743463 AXLGCSVCKNRFJI-MDWZMJQESA-N 461.268 3.982 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 9478121 FCBOOZVMMKRAKQ-UHFFFAOYSA-N 451.504 3.647 10 40 JHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 20287404 HAGZGGZOQZMWPE-IWIPYMOSSA-N 464.497 3.688 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)NCc4ccc(Cl)cc4)ncn3)CC2)cc1 49006866 JOMVYDPDGFURHG-UHFFFAOYSA-N 484.025 3.874 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1 100154570 YGYAITKGVIYKEA-RJGXRXQPSA-N 496.475 3.907 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100671324 ATTNVRVIUGFYAF-FDFHNCONSA-N 482.448 3.598 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408532104 LYVLOGDZCPXRAD-NTEUORMPSA-N 473.283 3.861 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1 409040049 FJMRXLUOCASNBN-STZFKDTASA-N 472.453 3.639 10 40 JHCB O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2396775 RQMOQQNXOQFKBS-QIYXJHPLSA-N 492.626 3.984 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 9064474 KDTBULAGQGSTIE-UHFFFAOYSA-N 469.350 3.747 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 13647341 IKJZOSHZSFGXNE-QTJHTSBZSA-N 498.674 3.865 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409230354 YLXAYEUCQOUZTH-LDADJPATSA-N 494.301 3.913 10 40 JHCB CN(C)CCN1CCN(c2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)CC1 585142557 YEMXHMPYCZEFTO-UHFFFAOYSA-N 469.589 3.617 10 40 JHCB CC(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2nc3ccccc3s2)CC1 13504321 HOEZWZHBCUXFQK-JOCHJYFZSA-N 462.627 3.841 10 40 JHCB CC(=O)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 35351239 CYYGXBCNLTWTTM-QPEQYQDCSA-N 480.112 3.598 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409231611 DBUAPHFWIHEFJX-CIAFOILYSA-N 462.481 3.773 10 40 JHCB COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O 3044215 PSDNHRCSAGMHME-YCRREMRBSA-N 467.160 3.506 10 40 JHCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 9327505 QAMNNIUGPGKGJC-KZVLXBEFSA-N 489.641 3.772 10 40 JHCB CCOc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(Br)c1OC 12564670 WKNLOBNJNHZXGL-UHFFFAOYSA-N 463.372 3.965 10 40 JHCB COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(SC)cc3)CC2)cc1 33292962 ATIMIWXYUVXICX-UHFFFAOYSA-N 495.674 3.942 10 40 JHCB C[C@H]1CN(C2=NC(=O)/C(=C3\C(=O)N(Cc4ccc(F)cc4)c4ccccc43)S2)C[C@H](C)O1 39983134 XIDWRBAQWAURAF-YKRJHPGPSA-N 451.523 3.822 10 40 JHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(I)c1O 58865562 FRIZVCGMORLHOA-UHFFFAOYSA-N 493.091 3.903 10 40 JHCB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96116226 COKHQSBELXEBTA-AWEZNQCLSA-N 460.394 3.716 10 40 JHCB biogenic COc1ccccc1NC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O 104123675 HNKATEPUHNCQEQ-XZSMOWGESA-N 473.536 3.633 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(I)c1 409132930 YPHALFBLJICXCB-VIZOYTHASA-N 482.299 3.820 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S)c1cccs1 409211593 LVSHAJWZOFKDPH-GHXNOFRVSA-N 470.351 3.965 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1 18180944 YGYAITKGVIYKEA-XPWALMASSA-N 496.475 3.907 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccsc1C(=O)OC 29449688 RBEXIZKIMFDTSZ-UHFFFAOYSA-N 459.549 3.920 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33722601 SPWQZRFOVCLXSC-ODLFYWEKSA-N 495.894 3.967 10 40 JHCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422832 UHIHSJPAWOVOOR-CIAFOILYSA-N 483.659 3.972 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 222994794 CJYFQPBMYKCLDC-UIOOFZCWSA-N 491.661 3.945 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)c(C)c1 408914399 PSJPLXVXWYCPCU-CIAFOILYSA-N 475.476 3.995 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 408914567 QVJCPJSLSUCSBI-OVCLIPMQSA-N 475.364 3.602 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N(c2ccccc2)C1=O 409020299 NRKAVFBIAUWRBJ-QNGOZBTKSA-N 474.469 3.978 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1OC 409220855 GWGUFBLVPRNTCK-XFFZJAGNSA-N 481.755 3.951 10 40 JHCB O=C(C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCCc1ccc(O)c(O)c1 524729394 RKHSQKUEKXVKFF-KRWDZBQOSA-N 489.480 3.519 10 40 JHCB biogenic CCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2448051 FUNNBOMMGLUSPM-UZNZLNSGSA-N 480.615 3.760 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3C3CCCC3)CC2)cc1 13503871 WHNYQTMECJHEHR-RUZDIDTESA-N 461.614 3.774 10 40 JHCB Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1O 26786815 HFLSUVINZGHBLP-UHFFFAOYSA-N 462.505 3.551 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)CC2)cc1 27969943 RZSDOKGCYWCGEG-UHFFFAOYSA-N 455.356 3.665 10 40 JHCB CN1C(=O)/C(=C/c2cc(Br)cc(I)c2O)SC1=S 36617187 FSEIQTSEQDDLHK-BAQGIRSFSA-N 456.124 3.590 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085036 ZXVVOSBSFHNXPM-RYEIUNSYSA-N 476.518 3.846 10 40 JHCB O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221316 DSBXKGFFIZMKHT-ZDUSSCGKSA-N 499.431 3.565 10 40 JHCB biogenic Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]23)cc1 100879077 BENQTCPXQNJRAZ-FDFHNCONSA-N 455.441 3.829 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1 102782613 PMFCFDUUWAOEOT-VYUAFQCHSA-N 495.535 3.698 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC 408865389 DEUSJJABUZKLLE-ZROIWOOFSA-N 461.337 3.688 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1O[C@H](C)CC 408904238 GXJQOIKYSHFEOL-LLVKDONJSA-N 455.374 3.624 10 40 JHCB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1C 409055778 PYWSRMDUJCYJMX-JCMHNJIXSA-N 465.575 3.751 10 40 JHCB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 3865618 ODPVNIAPCCUMIR-CHHVJCJISA-N 494.348 3.903 10 40 JHCB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1 6135576 IWTKZSZCOBFGBO-UHFFFAOYSA-N 495.649 3.943 10 40 JHCB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 22917479 ZHOSJPCOOJRPLY-UHFFFAOYSA-N 473.960 3.872 10 40 JHCB COc1ccc(N2CCN(c3nnc(SCC(=O)Nc4cccc(F)c4)s3)CC2)cc1 23139978 RMOISHBNBBAVOG-UHFFFAOYSA-N 459.572 3.743 10 40 JHCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1 33643298 GGCYPRMKHOXADU-LICLKQGHSA-N 466.837 3.906 10 40 JHCB COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221029 IUMKGBMLEODNNZ-MRXNPFEDSA-N 476.437 3.970 10 40 JHCB biogenic CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 223169961 BDLHZZYHYMYPAJ-QGZVFWFLSA-N 452.020 3.966 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 223486870 APJYDBWFBPWMQJ-MRXNPFEDSA-N 468.019 3.666 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2259777 FGWIUVBCCCBLDW-GEBKJHSDSA-N 480.615 3.758 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 8766015 NACNJZDLRSYJOT-WQRHYEAKSA-N 474.560 3.561 10 40 JHCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 17050910 VWBNAHBSIPOHRO-HHHXNRCGSA-N 478.662 3.903 10 40 JHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3cccc(F)c3)C2=O)o1 108287312 ZXAAYNBQNDPTQE-MTJSOVHGSA-N 493.491 3.943 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)C2=O)cc1 408536907 TYOICHWFSQBJPK-KGENOOAVSA-N 486.480 3.898 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC 408692324 JVYCNCXWSCGKGD-NTEUORMPSA-N 451.317 3.651 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O 409229859 APFOGXSBNPWANB-LCYFTJDESA-N 475.295 3.531 10 40 JHCB CCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)s1 1565524417 MFAOFYXQGHCLPE-HSZRJFAPSA-N 472.574 3.841 10 40 JHCB CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC1=S 8861551 CKAAMTKLOVEWNX-RVDMUPIBSA-N 450.519 3.584 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCCC3)ccc21 9138303 LQJZBDBDELUALX-HSZRJFAPSA-N 456.537 3.629 10 40 JHCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Br)cc1 33341001 KOQNDFCOEBQNAJ-NTEUORMPSA-N 469.076 3.515 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 408945506 WOJONRVPJKPFAO-CPNJWEJPSA-N 461.405 3.979 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1 409260634 TUGSOUASRQRUMF-BUVRLJJBSA-N 499.523 3.996 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 2119686 CAHOJNAGXQWRRS-NTUHNPAUSA-N 465.687 3.873 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4cc(OC)ccc4N2[C@H]3C(=O)C(C)(C)C)cc1 18060367 GVIXKNWAVMHRND-WZYRSQIMSA-N 460.530 3.709 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c2C)cc1 20977563 WXRCCIBTQSIRNO-UHFFFAOYSA-N 499.523 3.577 10 40 JHCB CN1CCN([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCN3C)CC1 22733705 DSYBGUXZZYEYLE-GDLZYMKVSA-N 468.645 3.993 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Cl)c1O 408898317 KXHFHQXTWXOSMQ-KPKJPENVSA-N 465.687 3.792 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 408936535 KWOQKUQBEZIYQW-KQWNVCNZSA-N 490.537 3.992 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 409139773 OORRBARNUIIFGZ-XDHOZWIPSA-N 461.543 3.653 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2070344 NKAUIIBOXDOGLC-PZHBDVNGSA-N 482.005 3.518 10 40 JHCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 9311690 BATZUIWWIOCEKR-ZROIWOOFSA-N 464.772 4.000 10 40 JHCB O=C(/C=C/[C@H]1CC=CCC1)Oc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 13800508 IMPCYPFETZEDOE-JNPVPZEVSA-N 489.640 3.893 10 40 JHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C1=O 205744572 FYESFZSAGBFMNZ-XDHOZWIPSA-N 456.520 3.870 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O 408537838 HLVDMRSBWJOBGO-XNTDXEJSSA-N 473.283 3.807 10 40 JHCB Cc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 408593480 PUEUQIUKTJXSOH-VCHYOVAHSA-N 468.307 3.738 10 40 JHCB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408671629 ZPKJANXQRJTHHE-HJOGWXRNSA-N 488.584 3.856 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O 409050269 TVVPAZOLJQGDLI-NYYWCZLTSA-N 499.690 3.785 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@H](C)C(=O)O 409253551 ZOXVGWVIRJUHQH-SEEODLKFSA-N 479.272 3.520 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(N(C)C)cc1 1097464 NGFGQBLFBZTDFQ-CIAFOILYSA-N 472.501 3.555 10 40 JHCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2)cc1 57548151 HFPUOWUDBJNPLC-OAQYLSRUSA-N 472.589 3.947 10 40 JHCB C[C@@H](C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260793321 IITMQVUQRLSFJX-SJORKVTESA-N 465.566 3.987 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)cc1Cl 409236142 RLCMCXBCVKMIOX-YRNVUSSQSA-N 472.691 3.677 10 40 JHCB O=C1NC(=S)N(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 9933355 XSXIBVMWMUCLGT-MHWRWJLKSA-N 496.884 3.828 10 40 JHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100766529 BJJVWVVNARMKBX-VABKMULXSA-N 458.474 3.712 10 40 JHCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])c1 408532148 MALJMKSIXLUMBL-UKTHLTGXSA-N 459.256 3.553 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OC 409238865 LTQNGLQMFATAPA-NTEUORMPSA-N 475.364 3.996 10 40 JHCB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 10113530 DVBRVOCIXMCSEK-UHFFFAOYSA-N 494.573 3.707 10 40 JHCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(OC)c(OC)c3)c3ccco3)CC2)cc1 56946259 HAKAVMZWSHVWEN-JOCHJYFZSA-N 465.550 3.599 10 40 JHCB CN1C[C@@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12C(=O)Nc1ccccc12 102769415 UKKCOOAIIPKUHB-AFWDCEBSSA-N 486.622 3.758 10 40 JHCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408533822 PFHLXQNGMDMCCT-UVTDQMKNSA-N 499.325 3.575 10 40 JHCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409149260 ZVWMHLPXQLGUSH-ODLFYWEKSA-N 458.565 3.670 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1cc(C)n(-c2ncn[nH]2)c1C 9222572 BHKVMZJRKVCLJZ-UHFFFAOYSA-N 464.551 3.842 10 40 JHCB O=C1N=C(O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C(=O)N1c1ccccc1F 9320206 DIYRXGADUWZVFA-XFXZXTDPSA-N 464.247 3.525 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9471117 XLPKABMTOSMYDO-OAQYLSRUSA-N 459.502 3.559 10 40 JHCB COc1cc2c(cc1NCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)oc1ccccc12 12563609 LRDZJOPUYZLXDT-UHFFFAOYSA-N 453.520 3.896 10 40 JHCB CC(C)[C@@]1(C)CC[C@@H](C(=O)Nc2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc2)C(=O)C1=O 16739496 YPYKPUFUQFVHBP-TVIRAVQVSA-N 494.588 3.739 10 40 JHCB Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(C)n1-c1ccccc1 21197037 YOJGIRRKFSVCFB-UHFFFAOYSA-N 466.559 3.846 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1Cl 41084412 VWDXDPAKOCGIAQ-SEXFUUHCSA-N 482.997 3.965 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223034231 ACNOCNKAIMLUSV-XZOQPEGZSA-N 464.591 3.895 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2031162 DAYSWZLXIALNCX-CXUHLZMHSA-N 463.920 3.854 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3765901 UWBNVQQVMRYCQP-FRKPEAEDSA-N 491.459 3.590 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1O 9296259 URSSYTGVWGUGBU-ZEVOCZHWSA-N 491.372 3.776 10 40 JHCB O=C([C@H]1CN(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)c2ccccc2O1)N1CCCCC1 9864780 WRJGMOHDUOPRCH-AKNQKSQZSA-N 456.546 3.751 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 15982394 LKEYFORHKHFQPX-RTBURBONSA-N 488.487 3.597 10 40 JHCB COc1ccccc1Cc1ccc(C(=O)N2CCC[C@@H](c3nccnc3-c3nccn3C)C2)cn1 257236372 HBWHVTZJTXQQMG-OAQYLSRUSA-N 468.561 3.891 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409340453 XMHOAVQDKVSLHW-DHDCSXOGSA-N 479.923 3.899 10 40 JHCB COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2369427 BOIXKDCOXJAIRB-OTMUCCKHSA-N 486.663 3.723 10 40 JHCB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 9185502 GTXNEZAFIYVUMS-LGMDPLHJSA-N 481.555 3.861 10 40 JHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 41082437 VDYSNUYDUFFPPE-BQYHCNFISA-N 463.490 3.920 10 40 JHCB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)CC2)cc1 225499887 ICESRTMCMPVRJP-FQEVSTJZSA-N 485.650 3.964 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 408878308 ABTIVIALWGEGKB-RCCKNPSSSA-N 476.510 3.738 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)C(=O)NC2=S)cc1 2099449 XKYLZPVQSDODCX-UCQKPKSFSA-N 488.569 3.892 10 40 JHCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9354083 IXLVGXPANVDDTQ-IFSHFEHQSA-N 492.517 3.877 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)c2C)cc1F 12557499 TUVVAVCGSRHPCK-IBGZPJMESA-N 499.612 3.705 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914935 YJHNVCREUOKHOU-SANMLTNESA-N 482.625 3.734 10 40 JHCB COc1cccc(-n2ccnc2SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 22714293 IOBLPANTWRRSGN-UHFFFAOYSA-N 496.614 3.911 10 40 JHCB COc1ccc([C@@H]2CN(C(=O)c3cc(N4CCCCC4)ccc3OC)CCN2C(C)=O)cc1 257296054 RBAVDNILVIQPOD-DEOSSOPVSA-N 451.567 3.740 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1 409092408 XPLJZPBVVYHDJW-QRVIBDJDSA-N 458.518 3.943 10 40 JHCB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409217673 RJEHTYYPJLTBDX-LICLKQGHSA-N 473.459 3.723 10 40 JHCB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccccc4OC)n3)CC2)cc1 9573671 CWLOYLAAKJOSCN-UHFFFAOYSA-N 481.578 3.696 10 40 JHCB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113388 FLTKOCQVWHSEFH-UHFFFAOYSA-N 479.602 3.587 10 40 JHCB O=C(O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc32)SC1=S 15009151 BTEJBGNAOOHRKP-WUKNDPDISA-N 462.911 3.682 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 15012302 QYBKDXZLMNCKQN-ZSOIEALJSA-N 463.273 3.602 10 40 JHCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 20207379 LEHRPIRJGCDERE-GJXXPDGXSA-N 485.591 3.503 10 40 JHCB C[C@H]1CCCN(c2ccc([C@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 260838935 FPTUTHOXAQVMRE-GJZGRUSLSA-N 465.645 3.799 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)CC2)cc1 408554582 CKGMHBLAQYWIGS-QHCPKHFHSA-N 493.629 3.598 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)c1 408991282 NGNYZYKOBWBNQE-QGOAFFKASA-N 488.554 3.546 10 40 JHCB COc1cccc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1OC 8870238 HIXADNQXEJLQED-OVCLIPMQSA-N 462.465 3.749 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 34761082 JOFBWNLAJQEAEO-UYRXBGFRSA-N 492.329 3.928 10 40 JHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 224443382 FPTUTHOXAQVMRE-HUUCEWRRSA-N 465.645 3.799 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 245229686 DBICFSMPMVVPEJ-PVIBPIFHSA-N 491.588 3.507 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409330996 MWOFBZNAJVUENB-ODLFYWEKSA-N 486.571 3.697 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OC 2784907 DNHWUCWHGDMHDR-AWNIVKPZSA-N 465.687 3.786 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)CC2)cc1 4001722 BZOHQBAIDURTLV-UHFFFAOYSA-N 487.528 3.737 10 40 JHCB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 8877045 MNCOXJMSAARCPL-AWEZNQCLSA-N 470.437 3.505 10 40 JHCB Cc1cc(C(=O)CSc2ccc3c(c2)OCCCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9376341 QMYVDXPZGSVFOO-UHFFFAOYSA-N 472.588 3.878 10 40 JHCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223142928 SUXWLGAKHXFJFG-FTJBHMTQSA-N 491.661 3.802 10 40 JHCB COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951435 HVRWBMVYOATZQY-UHFFFAOYSA-N 453.597 3.513 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408692527 OLPBHRYCSQTQNZ-LICLKQGHSA-N 455.898 3.850 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)c1 409192553 YPNZGIARCNELJA-ONDHQXCVSA-N 463.515 3.517 10 40 JHCB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 2263635 SOTVNKZVFKRRCE-FXAWDEMLSA-N 465.015 3.698 10 40 JHCB COC(=O)c1sc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C(=O)OC)c1C 13141945 QAZIKPUIQJMOCH-UHFFFAOYSA-N 484.530 3.833 10 40 JHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 20287397 BPFLVRUMNZXCHU-UQQQWYQISA-N 460.534 3.857 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCc3ccccc3C2)cc1 36683793 NZCYJODWFCTWHC-RUZDIDTESA-N 460.553 3.746 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccccc4F)ncn3)CC2)cc1 49006822 TXWUNRYYXPEYBW-UHFFFAOYSA-N 453.543 3.682 10 40 JHCB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 408725653 NDEBAUWAKLGFQR-APSNUPSMSA-N 459.461 3.943 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OCC)c3)C2=O)cc1 408875343 JQVMYYLXCRFSAE-WOJGMQOQSA-N 459.296 3.913 10 40 JHCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409212679 RUGBTPTYZRMPJB-BKUYFWCQSA-N 491.935 3.674 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1OC 10188444 BPRXTMYPVAJWFS-XMMPIXPASA-N 488.588 3.629 10 40 JHCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18180319 OXWAYTVUQVHMGL-XPWALMASSA-N 451.478 3.999 10 40 JHCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 102558512 NTRODLQKQZVLMK-GTVARFKMSA-N 466.881 3.502 10 40 JHCB COC(=O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 1810281 NYBSLESVMQDUHC-ZCXUNETKSA-N 458.948 3.631 10 40 JHCB Cc1cc(I)cc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 8837736 AQKJTOBKTAHSBA-HNNXBMFYSA-N 455.321 3.784 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9644906 MKTVIJJPXCWMHP-AREMUKBSSA-N 491.569 3.893 10 40 JHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 13575793 LDAXIOVWSMNPCE-HYARGMPZSA-N 476.562 3.921 10 40 JHCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C(=O)N(c3ccccc3)C2=S)cc1 16292749 YCQLJFLCBDRRDO-QNGOZBTKSA-N 482.565 3.934 10 40 JHCB Cc1cc(OCCn2cccc2/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)ccc1Cl 17045628 OASJTEHBCRGNHB-CPNJWEJPSA-N 453.882 3.988 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O 54360666 AZXOHZIZJJKWOH-SXGWCWSVSA-N 462.936 3.974 10 40 JHCB Cc1cc(-c2csc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)n2)c(C)n1-c1ccccc1 102812342 HKMWQZDSVQYWRS-DODAUVCRSA-N 472.570 3.963 10 40 JHCB COc1ccccc1NC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)=O 104124396 AFCSRELSTOMAEH-NJGFXUCASA-N 485.522 3.781 10 40 JHCB CC1CCN(c2ccc([C@H](C)NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 224427461 ZUPZRAGZSGGOAP-IBGZPJMESA-N 461.603 3.701 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1 408528773 HBYHZLAURMHEHX-ZDLGFXPLSA-N 470.532 3.590 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I 408775166 FJOFHPFDCCVRQC-MHWRWJLKSA-N 490.297 3.973 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCc1cccc(C(=O)O)c1 408902559 JXLLCBLSLPKLCD-DEDYPNTBSA-N 490.443 3.778 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc5C4)C3=O)c2C)cc1 3451271 OSFINDMSTLVUME-MHZLTWQESA-N 457.530 3.765 10 40 JHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3c(F)cccc3F)c2C)c1 11030443 HTWGCTPWCIQUGK-UHFFFAOYSA-N 485.439 3.985 10 40 JHCB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(CN3CCN(C)CC3)ccc12 20018529 AZYZEGGPRXEEBG-UHFFFAOYSA-N 453.564 3.783 10 40 JHCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1 107614671 CFFKIUIZAALGJJ-STZFKDTASA-N 475.501 3.675 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1 408903357 RMVLFKWAFWQYFY-KGENOOAVSA-N 459.433 3.510 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)cc1 409022989 ALQYVHBENNJDDV-CIAFOILYSA-N 477.517 3.851 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c(C)c1 409146370 SNMBIZISHKTCBP-BKUYFWCQSA-N 469.538 3.954 10 40 JHCB Cc1c(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c(=O)n(-c2ccccc2)n1C 2197417 PZDSFWGKGQUWCU-ATVHPVEESA-N 452.517 3.798 10 40 JHCB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 9013603 YLULCGINMSSHEL-MNDPQUGUSA-N 480.615 3.587 10 40 JHCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 409251300 PGULKBDXVVFHDM-HKWRFOASSA-N 455.470 3.679 10 40 JHCB O=C1NC(=S)N(c2ccc(I)cc2)C(=O)/C1=C/C=C/Nc1ccccc1 12437271 FITMVKUFQVJOBE-SZMZPSPYSA-N 475.311 3.591 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3Br)N3CCOCC3)ccc21 16838352 UKQRHSFJVADIGD-JOCHJYFZSA-N 458.400 3.635 10 40 JHCB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 16914715 NJKDDYMMJHAWQN-DEOSSOPVSA-N 483.609 3.978 10 40 JHCB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCS(=O)(=O)O 27018644 VSLHPZMCBDOBRZ-ZROIWOOFSA-N 474.379 3.798 10 40 JHCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1F 33541004 YZVBCEDTCAFPSG-PDGQHHTCSA-N 495.894 3.967 10 40 JHCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 34828779 YKZGGMBQGCBOOW-NDENLUEZSA-N 495.894 3.967 10 40 JHCB CCN(CC)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1 57531395 DWFUVRJOYMTMCO-GJYPPUQNSA-N 457.543 3.863 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 59139552 WIKNRPDNEZGRJG-UHFFFAOYSA-N 493.354 3.775 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(F)cc1 223140356 LACZRODLNPDTOB-JWQCQUIFSA-N 479.625 3.933 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 408939401 MKBQYIJAVUXRGW-DEDYPNTBSA-N 460.417 3.769 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409084006 WEPYWHTZWPAXLJ-UHFFFAOYSA-N 483.245 3.516 10 40 JHCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409239374 MZVFGTROPAQWIW-RIYZIHGNSA-N 475.364 3.914 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1OC)N1CCN(c2ccc(OC)cc2)CC1 13504165 WRJYQUDZHSIPJH-DEOSSOPVSA-N 480.613 3.756 10 40 JHCB CN(C)c1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 13512298 LZUWCOVXTHCZCP-SCTDSRPQSA-N 459.439 3.860 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(OC)c1 105976383 ICFSGODBETXKSV-RBZQAINGSA-N 497.503 3.707 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223654815 XGGNQWGGJUQALB-PKTZIBPZSA-N 478.574 3.723 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408537532 WATPGCDTBZGUEV-HKWRFOASSA-N 456.454 3.889 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Br)cc1O 409233460 KPDXZTZVUZADDL-IZZDOVSWSA-N 465.687 3.792 10 40 JHCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 868860 TUEZYLBQIKJPNP-QGOAFFKASA-N 473.348 3.971 10 40 JHCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCSCC4)nc4ccccn4c3=O)SC2=S)cc1 2284340 QIQTUVXRJZOJEC-RGEXLXHISA-N 494.667 3.958 10 40 JHCB COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 6973783 WAPWGGUKXVAIQG-UYRXBGFRSA-N 488.587 3.951 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1 15219816 OKSXABBSDRLWFY-YBEGLDIGSA-N 489.322 3.922 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 59139586 YHOJCCNHVOOHCH-UHFFFAOYSA-N 493.354 3.775 10 40 JHCB O=C1NC(=S)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 408531216 OXBNPXHRHJQWJF-ZROIWOOFSA-N 456.364 3.706 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 408870384 UZWILWZQCRXLLP-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)NC1=S 409167427 KPPNUVCTBAUMMP-XDHOZWIPSA-N 476.514 3.842 10 40 JHCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OCC(=O)O 409328844 BIXXPTPAYXNRAE-YBEGLDIGSA-N 492.962 3.748 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)O 409340568 ZLDHLLODCCWGAZ-MFOYZWKCSA-N 460.489 3.863 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 9296642 PDLAEVKFEODDDQ-VIZOYTHASA-N 461.433 3.581 10 40 JHCB O=C(NC1CCCCC1)NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S 33554844 DPXHHCHQLSFCGM-FLIBITNWSA-N 477.349 3.632 10 40 JHCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)C[C@@H]2C)cc1 61999408 QNAQXRSCTQFKEU-JMRSBHDGSA-N 454.611 3.733 10 40 JHCB COc1cccc(N(CCCC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 260769940 TXHYRRMZKURDQI-FQEVSTJZSA-N 473.639 3.794 10 40 JHCB COCCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)N(c2ccccc2)C1=O 409020565 QQCKXWFYRBGMJV-QNGOZBTKSA-N 474.469 3.978 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 1829737 KYNALSARYXNPCY-BOPFTXTBSA-N 459.505 3.548 10 40 JHCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 9470673 NOLSEPWMJMXKKB-SDXDJHTJSA-N 474.652 3.867 10 40 JHCB CN1CCN([C@@H](CNC(=O)c2ccccc2Br)c2ccc3c(c2)CCCN3C)CC1 22734825 OJENZIPGHYTLCS-QHCPKHFHSA-N 471.443 3.550 10 40 JHCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(OC)cc3)CC2)cc1 90485757 JGDDNIGCAFQWJI-VWLOTQADSA-N 489.572 3.726 10 40 JHCB C=Cn1ccnc1P(=N/N=N/c1ccc(S(N)(=O)=O)cc1)(N(CC)CC)N(CC)CC 103431000 HUSRCOFTILKXPM-GHVJWSGMSA-N 466.552 3.670 10 40 JHCB COc1cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)ccc1OCc1ccccc1 408539568 XPUJODPGNYVQTL-UHFFFAOYSA-N 458.470 3.603 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(F)F)c(OC)c3)SC2=S)cc1 409357703 JMMREELWXQWGQM-YBEGLDIGSA-N 466.487 3.851 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 8819704 HOWSEYRQXHPSER-ZPHPHTNESA-N 475.636 3.749 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)NCc1cccnc1 9090853 FLMHNTJEOLCOBQ-BOPFTXTBSA-N 463.531 3.981 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(NCC(C)C)nc12 9289729 NZCGEJPZZDBKSL-ATVHPVEESA-N 488.635 3.917 10 40 JHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504138 WQWQMLBQXXTTPO-HSZRJFAPSA-N 450.587 3.747 10 40 JHCB Cc1ccc(OCCOc2ccc(Br)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 13895200 JLHYEKYOQRHRBG-UHFFFAOYSA-N 473.323 3.649 10 40 JHCB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 54360668 IGKDYHXZUXAEFE-GRSHGNNSSA-N 467.547 3.527 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1 408872759 IFZAXKGBVJDDTR-PXLXIMEGSA-N 458.445 3.870 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)O 409044435 CVKFGHIARHUPTQ-KPKJPENVSA-N 479.272 3.522 10 40 JHCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1O 409206128 HSGYYVZCQMKGNN-RIYZIHGNSA-N 486.356 3.961 10 40 JHCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1Cl 409247730 NIQSSAYXNBWTDB-CPNJWEJPSA-N 457.939 3.852 10 40 JHCB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 2263636 SOTVNKZVFKRRCE-YLJYHZDGSA-N 465.015 3.698 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 9322249 LHDAIMKALMKJJB-SANMLTNESA-N 459.502 3.781 10 40 JHCB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)c1O 10233936 LFNUWAIDFHDDQM-SFHVURJKSA-N 471.560 3.825 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 32192933 UZMADHPCAQGOQN-HZHRSRAPSA-N 499.523 3.720 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 59105062 SSKCBNIGYPTLAA-XNTDXEJSSA-N 455.423 3.908 10 40 JHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622143 UIRODVWLBVZMKJ-DHIUTWEWSA-N 464.591 3.851 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)c1C 408551943 PGXWERSHIDOFDW-GXDHUFHOSA-N 462.312 3.739 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC)C2=O)cc1 408901154 WKOCMKVBWKVJHH-ATVHPVEESA-N 459.296 3.913 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)c(C)c1 409265622 NBUMKFSSMGWZSZ-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@@H](CO)Cc4ccccc4)c4ccccc34)[C@H]21 1616044649 NDULOCISFNDHMT-PBBNMVCDSA-N 494.595 3.508 10 40 JHCB Cc1ccccc1N1C(=O)C(=CNCCN2CCCCC2)C(=O)N(c2ccccc2C)C1=S 2301466 HIYZEJHRLAXARS-UHFFFAOYSA-N 462.619 3.928 10 40 JHCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9057046 VRROADJLNLGSDT-GZTJUZNOSA-N 485.905 3.752 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCCC3)ccc21 9138323 CTXNHPGGWPRBGN-QHCPKHFHSA-N 456.537 3.629 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3CN3C(=O)CNC3=O)c2C)cc1 10918538 FSTGYGGTBBRWSB-UHFFFAOYSA-N 489.528 3.584 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(-n4c(C)nc5ccccc5c4=O)cc3)CC2)cc1 12543618 PUXHLJSGJUWREG-UHFFFAOYSA-N 454.530 3.665 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1 13669608 RWEKPVIKVCUWHC-UHFFFAOYSA-N 493.629 3.948 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 13670606 YTNUYYKHHPLAAB-UHFFFAOYSA-N 456.395 3.676 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)C1 260764627 KXUGGDJTUOQNBL-IAGOWNOFSA-N 465.566 3.672 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc4c5c6c(sc5ncn34)CCCC6)CC2)cc1 928380 WKMFNAXDSLFRBG-UHFFFAOYSA-N 494.646 3.667 10 40 JHCB CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2695981 MTRXARWQUMTPIX-MRCUWXFGSA-N 465.600 3.721 10 40 JHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 32189247 YGXHHJUTNHJOPM-UHFFFAOYSA-N 491.529 3.788 10 40 JHCB COc1ccccc1NC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O 104123685 HNKATEPUHNCQEQ-ANEHGGCBSA-N 473.536 3.633 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223655323 BQOJUCMLDXECCC-PKTZIBPZSA-N 478.574 3.723 10 40 JHCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1 409054340 JBZBCNVCPRFRIW-QNGOZBTKSA-N 453.564 3.689 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409082801 SWXJEVMLFASOSM-LDADJPATSA-N 474.385 3.962 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OCC 409173288 OPHCIZDXWGEIBZ-GXDHUFHOSA-N 460.939 3.977 10 40 JHCB CCN(CC)c1ccc([C@@H]2N(C(=O)C(F)(F)F)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 10078546 BMUTVLOOZRDBLB-HXUWFJFHSA-N 469.529 3.935 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 13504117 NNQAYKUGTOXSCZ-QHCPKHFHSA-N 451.594 3.935 10 40 JHCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3c(C)cc(C)cc3C)c3cccnc3)CC2)cc1 56896365 FXGZSLOQZLZDTO-SANMLTNESA-N 494.661 3.857 10 40 JHCB CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100415689 GRFMIDRYNOVTIM-VABKMULXSA-N 467.477 3.780 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(C)c1 408816359 YJXKHWHCGSZFKS-FYJGNVAPSA-N 458.470 3.955 10 40 JHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c1 409208853 DRJXMUYSAGKKBK-FYJGNVAPSA-N 473.485 3.857 10 40 JHCB CCN(CC)c1ccc(/C=C2\SC(=S)NC2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409345901 MBJBCNOSFADRQV-GRSHGNNSSA-N 486.575 3.947 10 40 JHCB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccc(OC)cc3OC)CC4=O)CC2)cc1 8991695 FOLUIFUTXHQDFZ-GOSISDBHSA-N 474.561 3.742 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18077478 KUDPOBLZUMIZMF-FKBYEOEOSA-N 455.441 3.829 10 40 JHCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 20206301 BLFIPLRKHLDFDT-WUVMMTAUSA-N 488.978 3.849 10 40 JHCB COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 22665552 KKQFQHXYLDBUQR-NDEPHWFRSA-N 488.632 3.820 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)c(OC)c1 409103361 WECFLKCMAAHWEL-WOJGMQOQSA-N 492.509 3.802 10 40 JHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)N1CCN(c2ccccc2)CC1 8757027 AVLYZHRXEMCGMH-NKFKGCMQSA-N 476.602 3.672 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1O 9311381 SDJYCWXAAHGIOH-ZROIWOOFSA-N 461.337 3.693 10 40 JHCB Cc1cc(C(=O)[C@H](C)Oc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 12589096 ZIXRWIPMPMHHGP-AWEZNQCLSA-N 477.926 3.953 10 40 JHCB COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C/C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 14184312 UGIUUILCPWDSCU-ZSNJSTEGSA-N 494.551 3.900 10 40 JHCB CCOc1ccc(NC(=O)[C@@H](/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(C)=O)cc1 104124044 MWLJVYLTEHAIQB-RIACQAHJSA-N 481.534 3.961 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1OCC 408710942 ZDABUYDQRRGFGE-SJPXOZHESA-N 450.491 3.864 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 408867611 LYFBAYHCJJYQME-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1 408900487 SZCPNQNFBUHMJC-HZHRSRAPSA-N 469.497 3.987 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409140063 DDWDMILTVGUCTQ-MOSHPQCFSA-N 455.511 3.646 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/Nc1ccc(N2CCOCC2)cc1 9554202 YXFKDQMHGKFBLV-NTCAYCPXSA-N 477.373 3.574 10 40 JHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1I 15013510 KDSDTTNJBVMIGB-UVTDQMKNSA-N 476.270 3.665 10 40 JHCB Cc1ccccc1N1C(=O)C(=CNCCCn2ccnc2)C(=O)N(c2ccccc2C)C1=S 20025645 BLEAYUOPSFYQJH-UHFFFAOYSA-N 459.575 3.728 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1F 223139829 WDDFQHXEXHVLSN-JWQCQUIFSA-N 479.625 3.933 10 40 JHCB COc1ccc(N(CCCC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 260839045 HAVWWMDTROSKJJ-FQEVSTJZSA-N 473.639 3.794 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c(C)c1 409098305 PTKCZUAGQLSHBF-STZFKDTASA-N 451.548 3.815 10 40 JHCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 8859445 PUQIVEFDNOPDFL-AQTBWJFISA-N 484.603 3.836 10 40 JHCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113834769 FLTCCRWPPLSBKQ-WOJGMQOQSA-N 472.504 3.745 10 40 JHCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cc2Cl)C1=O 408534238 PUSHEZMDHTVKKA-PKNBQFBNSA-N 450.676 3.690 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408790401 RAUSPBCSKFYPML-SXGWCWSVSA-N 461.301 3.735 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)C2=O)cc1 408985399 KOHVUAVPNDMPIF-ZSOIEALJSA-N 474.267 3.595 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)cc1 409377586 INUCTFFMAIFUMS-HYARGMPZSA-N 472.570 3.587 10 40 JHCB Cc1cc(C(=O)[C@H](C)OC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1 8706753 FBOYUMQXCUQZDQ-INIZCTEOSA-N 466.987 3.534 10 40 JHCB NC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c2ccccc2O1 9465028 SDWAHNAVVIHUHU-DACFSCGWSA-N 464.525 3.891 10 40 JHCB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 13942160 AQLMRUSCMWKTTR-CJLVFECKSA-N 459.458 3.822 10 40 JHCB Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 18032937 LPDWULDRQPISCQ-FSSWDIPSSA-N 455.441 3.829 10 40 JHCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 23858094 QFFRRHGBBUXXEA-JOCHJYFZSA-N 471.001 3.623 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 41084298 PDMITVKIYXHUHP-MFTVFGMVSA-N 489.557 3.895 10 40 JHCB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 250985279 KVOSZFRDQRAWBI-BDTNDASRSA-N 455.441 3.829 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408534611 MKLIUEALXUOWET-VXLKKOOASA-N 460.486 3.565 10 40 JHCB CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2289685 LYJXUDODQQQSMN-ZDLGFXPLSA-N 480.571 3.565 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 9056687 MSEGPZNIDTUPTF-UHFFFAOYSA-N 480.590 3.909 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1 13505295 CRWPVQSJQZUORT-XMMPIXPASA-N 459.623 3.761 10 40 JHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 20287429 UUARZOPGIHVVNG-IWIPYMOSSA-N 464.497 3.688 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 100418944 JLYNNJFGIDTPQX-FDFHNCONSA-N 455.441 3.829 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)cc3Br)C2=O)cc1 6508293 SIPHTUPAOCWGRF-DHDCSXOGSA-N 475.295 3.531 10 40 JHCB Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1107463 XDIUJYSNOAHWOX-RGEXLXHISA-N 496.589 3.854 10 40 JHCB CCCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2345634 MNNJDROVWUSOME-VKAVYKQESA-N 474.677 3.948 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nncn2-c2ccccc2F)cc1 12589880 GFTFFHJJIBZKEE-HXUWFJFHSA-N 469.586 3.772 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26531860 FFOALXMQEAQQJL-LRHUTULQSA-N 486.663 3.805 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1 101122772 STVIEFBPOGTTIU-UCQKPKSFSA-N 494.507 3.678 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408799624 HDVMFCWFUYBIOW-KGENOOAVSA-N 473.441 3.849 10 40 JHCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 409066001 JSEIDOSSLKEXPH-SAPNQHFASA-N 482.901 3.774 10 40 JHCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 409192867 GMUWUEDQVSZSMG-QSARLWQPSA-N 465.314 3.677 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409212741 QKKLVICDDDWBQB-PDGQHHTCSA-N 474.429 3.847 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(C(F)(F)F)c1 20206372 XSZLTAWMZVCJPF-VUEOATCUSA-N 495.508 3.734 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1 33458269 JOORUKGUPZWPDJ-ZSCJGDHMSA-N 460.924 3.665 10 40 JHCB CCOC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OC 33659525 NTUYMHIZWAGJCZ-AUWJEWJLSA-N 460.371 3.621 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)S1 33711128 SPMTUZJHYSGWJX-ZDLGFXPLSA-N 488.363 3.881 10 40 JHCB O=C1[C@H](/N=N/c2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 100365830 OVCFYTGZRGJZBK-QAHCAUCSSA-N 465.447 3.745 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223691096 JCAWVJAYVBPUPH-GOTSBHOMSA-N 478.574 3.723 10 40 JHCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 225502485 MLHDHLFMJCAJEL-UHFFFAOYSA-N 459.612 3.646 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC(C)C 408809390 LDEVMZMGVKFCKN-VIZOYTHASA-N 459.842 3.710 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Cc2ccccc2F)c1 408873878 WOIIHGTVECUQQX-FYJGNVAPSA-N 475.432 4.000 10 40 JHCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409096499 LGORHDPVSIAFTG-STZFKDTASA-N 451.548 3.815 10 40 JHCB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 9512613 MELQPTKWGFKMKT-HHHXNRCGSA-N 489.528 3.567 10 40 JHCB COc1cc(Br)c(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC 27501196 FMUDBJNVMTUWJB-MLPAPPSSSA-N 451.704 3.890 10 40 JHCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084783 GFXJGNJQEQTPIY-DXGGMCDASA-N 450.480 3.917 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 224800019 RCYYJOIMKFENHF-LJQANCHMSA-N 473.639 3.746 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1 408805426 AZJJHJVPMNSONN-GZTJUZNOSA-N 459.296 3.911 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccccc2F)c1 408889688 IZGGIDPVXMACFL-RGVLZGJSSA-N 491.431 3.988 10 40 JHCB CCCN1C(=O)/C(=C\c2ccc(I)o2)C(=O)N(c2ccccc2)C1=S 409017625 NDPXHVOBOSFGOV-SDNWHVSQSA-N 466.300 3.838 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc(OC)c1OC 1801910 YRLNIQLYMVFDDB-WOJGMQOQSA-N 474.560 3.648 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O 15013156 BLLVRWODXYQSKY-KWZJRMENSA-N 454.504 3.836 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15997146 WKTXWPNXJGTXFN-NAVOZUGXSA-N 488.540 3.626 10 40 JHCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 36683809 HVGFONQRALEEQW-RUZDIDTESA-N 472.589 3.616 10 40 JHCB O=C(C1=CN(c2ccc(OCc3ccccc3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1 67245524 XIVSNIQNPKKHOC-UHFFFAOYSA-N 476.554 3.891 10 40 JHCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)Nc1ccc(F)cc1 408695646 XBOULVWITWSHJE-FYJGNVAPSA-N 474.492 3.824 10 40 JHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O 408847924 OGQJVXCLIMPELW-UXBLZVDNSA-N 455.692 3.779 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(O)c(Br)c2)C1=O 408901532 YOSMHCPBDCFGNM-GHXNOFRVSA-N 480.112 3.892 10 40 JHCB O=C(O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 408993177 VOMMDJMOMSQRQT-UHFFFAOYSA-N 458.495 3.898 10 40 JHCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)o1 409394330 YZFFMGXNAYPCJT-RGVLZGJSSA-N 487.443 3.875 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2c(c1)OCO2 631963 FIXFIOUEUGFGEF-YVLHZVERSA-N 463.490 3.793 10 40 JHCB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 9512615 MELQPTKWGFKMKT-MHZLTWQESA-N 489.528 3.567 10 40 JHCB CN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc3c(c2)CCCN3C)CC1 22734800 HGYJUVLLLKWDFI-QHCPKHFHSA-N 471.443 3.550 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 59536549 UJCBNMNMLVOHIK-JCMHNJIXSA-N 476.510 3.738 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=S)Nc3ccccc3)C2=O)c(C)cc1Br 408533942 PPQLUNDBUSJKDO-GXDHUFHOSA-N 473.352 3.519 10 40 JHCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409187040 LGKWFDNVLROMNC-CXUHLZMHSA-N 477.300 3.990 10 40 JHCB Cc1c(NS(=O)(=O)c2ccc(/N=N/N3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C 6115943 UUPMLYPNOYPCTE-WJTDDFOZSA-N 454.556 3.770 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccco1 408537570 WIFYMKYQRUUHOV-VBKFSLOCSA-N 481.258 3.928 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1C 408757328 MBRMKWOMDFZJAJ-NDENLUEZSA-N 459.462 3.681 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC 408807225 GOGLVMPMXBNVLC-XMHGGMMESA-N 466.490 3.717 10 40 JHCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccc(Cl)cc1 409219368 LYFAICTVBSYLBQ-BKUYFWCQSA-N 491.887 3.730 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1OC 8819399 VBHJEYIXQXPRCL-MOSHPQCFSA-N 454.573 3.884 10 40 JHCB CCC1=NN2C(=N)/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)N=C2S1 8922758 AWHJXMWWXHQJBL-KDAGATOZSA-N 454.533 3.792 10 40 JHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 13073945 PMVWQSDURRWRQX-CHJAJTDHSA-N 482.879 3.637 10 40 JHCB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19820730 XWFOHOLBMNDABE-BJKOFHAPSA-N 471.513 3.806 10 40 JHCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1 33333415 NUTPWDDHYLOWFB-LDADJPATSA-N 467.275 3.957 10 40 JHCB CC(C)N1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 34807167 QIHCBLUCLXLEAO-CPNJWEJPSA-N 462.600 3.867 10 40 JHCB CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 96193337 MNHBSFWHEADNAY-SXGWCWSVSA-N 472.881 3.795 10 40 JHCB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)/C=C2\NCCc3cc(OC)c(OC)cc32)c1 101383295 AMFLCHMPGUIYBD-QNGOZBTKSA-N 489.663 3.969 10 40 JHCB CCOc1ccc(NC(=O)[C@@H](/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(C)=O)cc1 104124046 MWLJVYLTEHAIQB-KQEYZTLISA-N 481.534 3.961 10 40 JHCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1OCC(=O)O 409149755 PPCAQKDJTNCYJW-CXUHLZMHSA-N 492.962 3.667 10 40 JHCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 2304052 UDLMGRZQRPQGEG-XSFVSMFZSA-N 488.535 3.591 10 40 JHCB COC(=O)c1ccc2c(=O)n(Cc3ccc(C)cc3)c(N3CCN(c4ccc(OC)cc4)CC3)nc2c1 33300656 SGLPSAMZAYXEJK-UHFFFAOYSA-N 498.583 3.875 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OC(C)C 408811383 VJLDHDYZERQPKM-LICLKQGHSA-N 486.908 3.979 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O 9258976 CHLQKTUNFMQUPS-VGOFMYFVSA-N 461.337 3.611 10 40 JHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc([N+](=O)[O-])cc1Cl 9562067 GBAZSGNCSQUTKE-UHFFFAOYSA-N 464.817 3.819 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 9783594 BGSGBVBBNXCCBU-UHFFFAOYSA-N 474.586 3.620 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 15224259 XQMQYEIDKDDDNV-OQLLNIDSSA-N 480.816 3.693 10 40 JHCB COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)n(-c5ccccn5)c4C)CC3)n2)cc1 32809684 HTKMLEVEIDIAHS-UHFFFAOYSA-N 472.549 3.506 10 40 JHCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 41084407 MULBCSOXTQSCHH-MPZQNCSBSA-N 498.996 3.665 10 40 JHCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 102611821 DCTLBZAGFTUKRX-LYPXWFNGSA-N 466.881 3.502 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1C#N 107888449 KHLBNJZSZRLKAW-JAIQZWGSSA-N 470.441 3.515 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 408725270 GPOMPIVQLAMTTM-VOSMRYOYSA-N 482.005 3.518 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 9311453 HJAPCGKORQNTSV-SDQBBNPISA-N 467.728 3.648 10 40 JHCB COc1ccc(-c2noc(-c3cccnc3N3CCN(c4ccc5c(c4)OCO5)CC3)n2)cc1 72242794 MWLQNQNODIGRCB-UHFFFAOYSA-N 457.490 3.863 10 40 JHCB CCN1C(=O)/C(=c2/s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2-c2ccccc2)SC1=S 100501657 AYEKJLFRBWKNOC-MMLSESBDSA-N 491.663 3.549 10 40 JHCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 113469819 LPUIKNMOXCLGCM-QNGOZBTKSA-N 483.619 3.553 10 40 JHCB O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1 409044486 VIFKGVIDQAXXLT-DEDYPNTBSA-N 491.887 3.730 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409084897 YEUHOGJARBMWOV-UHFFFAOYSA-N 471.800 3.974 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 409238901 MBICWSGTHRASRW-GZTJUZNOSA-N 465.893 3.833 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409405075 GEBXYJFQBXXVPF-QNGOZBTKSA-N 471.513 3.873 10 40 JHCB CCc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113371 FWMQYINDPNUEBN-UHFFFAOYSA-N 493.629 3.597 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 36080007 IKJZOSHZSFGXNE-WHZMDTSCSA-N 498.674 3.865 10 40 JHCB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 48367809 SBWJQNZNMGNKNQ-WMZHIEFXSA-N 463.603 3.803 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1 100423480 UTYDFXBQUVYIPR-JCMHNJIXSA-N 464.547 3.677 10 40 JHCB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)s2)cc1 224581645 NJJMUBUKPDEOGO-UHFFFAOYSA-N 471.608 3.568 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 225610803 DMKKLZAHMXOSHR-UHFFFAOYSA-N 458.411 3.922 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409238422 ZTVASGHKZFXRPI-RCCKNPSSSA-N 487.512 3.946 10 40 JHCB Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3 9547211 GGZBTOBBERZBLB-OAQYLSRUSA-N 488.327 3.543 10 40 JHCB Cc1cc(C)cc(OCCN(C)C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c1 12751839 UXSDGOCYQMIKCO-UHFFFAOYSA-N 499.545 3.869 10 40 JHCB COc1ccc(N2CCN(C(=O)c3c4c(n5ccccc35)C(=O)c3ccccc3C4=O)CC2)cc1 95472325 YPFIWFXBGCRYSW-UHFFFAOYSA-N 465.509 3.686 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833748 KNCCXVJDIBLHLT-VCHYOVAHSA-N 474.516 3.858 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 225381094 UUZBNDMHNUOAHG-UHFFFAOYSA-N 487.666 3.965 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 225849180 SENOADWUJPXOJG-UHFFFAOYSA-N 458.411 3.922 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCC(=O)O 408854593 ABCQBTIJWCYZOA-XYOKQWHBSA-N 495.340 3.687 10 40 JHCB O=C1/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 6143987 MMLSGYSLPAVLGQ-JXAWBTAJSA-N 480.619 3.537 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 9311794 KWLUIHPNDCWPLR-KGENOOAVSA-N 459.527 3.712 10 40 JHCB COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 9672653 XXEGVGFNLUSBFI-LJQANCHMSA-N 483.428 3.894 10 40 JHCB COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c(OC)c1 22404283 KUWFWIZQCXUJFQ-HXUWFJFHSA-N 450.378 3.637 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408534431 LYRZEPRGWWNSAB-NBOILNHKSA-N 498.491 3.989 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)C(=O)NC2=S)c(OC)c1 409103910 XJGLUQLYHOZXDS-CPNJWEJPSA-N 481.574 3.534 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1OC 409147942 WYUYECPJBHDMGF-OQLLNIDSSA-N 489.322 3.614 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1 409219940 RXEZTCFRDHANIV-HAHDFKILSA-N 485.496 3.688 10 40 JHCB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2O)n1 655362 MATQYOWSMMPEIR-SFHVURJKSA-N 465.466 3.526 10 40 JHCB CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8846088 OLDKHEVIBKSZIF-NRFANRHFSA-N 482.602 3.777 10 40 JHCB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 9260292 HCRSSDPSGJUEBA-FOWTUZBSSA-N 460.939 3.929 10 40 JHCB O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCCO2 9442684 IKYYCGCXIDBFNC-VWLOTQADSA-N 488.500 3.974 10 40 JHCB Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)c1 41085089 BKESEQRRMZGKBD-NEVNILGMSA-N 462.579 3.856 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408873640 UJAFAKFZGTXCCZ-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1O[C@@H](C)CC 408904239 GXJQOIKYSHFEOL-NSHDSACASA-N 455.374 3.624 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccccc1 409058353 MTUOFHZZZYLAHI-QXHVWWCLSA-N 487.625 3.707 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c(C)c1 409177702 HXRDOTKOQJVWLJ-BKUYFWCQSA-N 496.545 3.723 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1cccc(F)c1 9835790 CKOITWYHHPTHCR-SANMLTNESA-N 477.492 3.654 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1 13505297 BIRGQOHJDVEDBG-XMMPIXPASA-N 477.613 3.900 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(c3ccccc3)[C@@H]3C=CS(=O)(=O)C3)c2C)cc1 16695208 WNAAQGCQHGUBPW-JOCHJYFZSA-N 494.569 3.603 10 40 JHCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41084935 LDSNFRXDKKCCTE-GJXXPDGXSA-N 480.506 3.926 10 40 JHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H](/C=C/c1ccccc1)OC21C(=O)c2ccccc2C1=O 105326451 YRZXQCGDZQBCQW-ZHLOEEPLSA-N 467.452 3.862 10 40 JHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409076743 CCNDGWDVDLGSJX-PDGQHHTCSA-N 474.385 3.962 10 40 JHCB COc1cc(/C=C2\SC(=S)N(/C=C/c3nc4ccccc4[nH]c3=O)C2=O)cc(OC)c1OC 8665227 UXEMDRGJUZLAPP-NKSZTFINSA-N 481.555 3.821 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1 32099483 WMFHBXBFXNKUPC-PDGQHHTCSA-N 467.275 3.957 10 40 JHCB CCCCN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3C)c(=O)n2CCCC)SC1=S 100508957 KVSZJQZRKNXVGQ-ISPAOBMBSA-N 491.729 3.786 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(I)cc3)C(=O)NC2=S)c1 408743664 WWEBAWOKRZKKDH-MHWRWJLKSA-N 478.311 3.521 10 40 JHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 409050261 SZVCGXNVRQULOP-GXDHUFHOSA-N 495.408 3.848 10 40 JHCB CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 8925871 KCXLQNPDBCWAOR-VXPUYCOJSA-N 452.557 3.989 10 40 JHCB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(N3CCOCC3)cc2)NC(=S)N1 9539750 LZEBIADGEIWIMN-FQEVSTJZSA-N 476.524 3.974 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225847371 PAVYNIPLSLKQKT-UHFFFAOYSA-N 491.613 3.717 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc(Cl)ccc3O)C2=O)ccc1Br 408530969 JXGAVIHNKCVNCP-XYOKQWHBSA-N 450.676 3.695 10 40 JHCB CN(CCCC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383450 WQQTXTFRZWIYHR-UHFFFAOYSA-N 480.517 3.641 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 18324209 YOZRGPRGGUCZAB-BHIFYINESA-N 482.448 3.598 10 40 JHCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 104124085 YKCSTRUIMLEQPE-PXFSWQRTSA-N 478.943 3.672 10 40 JHCB COc1cc(OC)c(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 409147620 YFXDMSIWWYMNJF-INIZCTEOSA-N 453.383 3.833 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409264708 PMFXUSABNDPELT-STZFKDTASA-N 499.523 3.996 10 40 JHCB COC(=O)[C@@H](Cc1ccccc1)NCc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)c(C(=O)O)oc12 2132387 BWJVRBNYAPHRJU-HXUWFJFHSA-N 491.471 3.877 10 40 JHCB biogenic CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135540 GOZTWJTXFZKUJD-QHCPKHFHSA-N 452.624 3.683 10 40 JHCB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19820327 PYUPHQSPIAPUHZ-DHIUTWEWSA-N 457.486 3.763 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 59138753 GAJCROIUAHPCNQ-PXLXIMEGSA-N 457.486 3.889 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223673758 URBBLNVQKCFYEW-ZEQRLZLVSA-N 492.601 3.811 10 40 JHCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1 408695793 ZLBMJEXDSHLRMO-HYARGMPZSA-N 470.529 3.993 10 40 JHCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c1C 409134420 SLRXIZKFDYMXDA-GDNBJRDFSA-N 458.381 3.963 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(F)cc1 409373510 UKNCVSVRUVYGKK-YBFXNURJSA-N 450.422 3.668 10 40 JHCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)NCCN1C(=O)CSC1=O 9126838 PDMVKBSICBOVLF-UHFFFAOYSA-N 484.578 3.641 10 40 JHCB Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 16734662 FPFANAYKVMNJPR-PACYTGELSA-N 482.587 3.588 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1Cc1ccccc1 20207163 QIRIYZGFGMDTJK-QZEQKTIESA-N 483.619 3.801 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 32109301 ACUACVOOCLXUTQ-HKWRFOASSA-N 467.518 3.636 10 40 JHCB O=C(O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 59135669 WCTYAYJBJCDFBW-RIYZIHGNSA-N 463.215 3.558 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 59138757 YSZZVPXGZOUMCJ-PXLXIMEGSA-N 457.486 3.889 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 59678425 ZVUPYPXKGZCHFS-DEDYPNTBSA-N 488.521 3.804 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(=O)O 223618836 BEIZUQXILSGOGP-VXKWHMMOSA-N 450.564 3.542 10 40 JHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 223786035 GZKPZFGBLGDWAH-UHFFFAOYSA-N 473.639 3.892 10 40 JHCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1F)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 227023453 ZPXFEUIGIUOARN-HBMCJLEFSA-N 459.404 3.660 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1O 408890460 UDBONOMLXSTNSH-LFYBBSHMSA-N 465.687 3.792 10 40 JHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 408949763 BZYJWNZNRFOSBJ-UXBLZVDNSA-N 456.115 3.636 10 40 JHCB O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1)Nc1ccccc1 409271190 KHKIEZKBQWUVIP-KGENOOAVSA-N 459.433 3.510 10 40 JHCB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(O)c(O)c4)C(=O)O)c(C)c3cc2c1C 2111081 RGIHJCVIHAJYPD-LJQANCHMSA-N 479.485 3.620 10 40 JHCB biogenic Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc(I)cc1 2217210 OILKKICPYGKTPM-UHFFFAOYSA-N 451.260 3.918 10 40 JHCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCOCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2671808 WCIIVTRLZRSTTI-MOSHPQCFSA-N 492.626 3.549 10 40 JHCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC(C)=O 9310702 FGFWSPLOMBTYOQ-LICLKQGHSA-N 460.489 3.943 10 40 JHCB CCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 23967679 CSKARKGQRKSTAZ-UHFFFAOYSA-N 497.665 3.562 10 40 JHCB CCN(CC)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1 106213843 DWFUVRJOYMTMCO-TXPKVOOTSA-N 457.543 3.863 10 40 JHCB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N1C(=O)CCC1=O 260762095 GIIAZAMMLBDBSV-ZWKOTPCHSA-N 485.606 3.624 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S 409174412 SKDANJWSLYWHGF-RIYZIHGNSA-N 456.321 3.770 10 40 JHCB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 10113315 OFZVCUZQLKCSDO-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113519 ZODKJBBSGQVTNZ-UHFFFAOYSA-N 479.602 3.807 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCc3ccccc3C2)cc1 16914778 LXFIAYFMZDFTSY-RUZDIDTESA-N 453.583 3.970 10 40 JHCB O=C1[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 19860480 JQFKTQNTCKOMTK-SMIHKQSGSA-N 478.504 3.881 10 40 JHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 59489942 WLLBKYDGTGUTSA-UHFFFAOYSA-N 463.490 3.675 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223707894 LHTXJPKOIRXGTK-BJKOFHAPSA-N 492.601 3.811 10 40 JHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1Br 409196444 VPFKOIBSQYGDCZ-CXUHLZMHSA-N 481.393 3.957 10 40 JHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 409345791 MAFLGRSVVOEHTO-VCHYOVAHSA-N 473.532 3.842 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409410036 SRYQKWDWWZSTRK-COYSUQGBSA-N 485.452 3.684 10 40 JHCB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 8398106 OQXSMTYVHUOXHF-TZRRMPRUSA-N 497.503 3.707 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 9377024 YIVITUZDKFLPNL-UHFFFAOYSA-N 466.563 3.880 10 40 JHCB CN1CCN([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccc3c(c2)CCCN3C)CC1 22734764 ILXLDVRIEQBTEW-QHCPKHFHSA-N 460.544 3.806 10 40 JHCB COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(C)cc3)CC2)cc1 33292959 YTYCOPRGWDNWBW-UHFFFAOYSA-N 463.607 3.529 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Br)o3)C2=O)c1 408950030 DDSPDXZUJRWCDG-IZZDOVSWSA-N 454.074 3.779 10 40 JHCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 9287774 HTXYBIJPUQLIEG-BOPFTXTBSA-N 488.635 3.917 10 40 JHCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)s1 17121681 JHKSWFSVIOHMQD-XMMPIXPASA-N 484.691 3.964 10 40 JHCB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18249543 GRFMIDRYNOVTIM-XPWALMASSA-N 467.477 3.780 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 43450373 LSCJCAMSAXFPGW-JMSHBIQUSA-N 463.523 3.769 10 40 JHCB COc1cccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96220938 WALWEDAADXYCNX-CQSZACIVSA-N 462.410 3.732 10 40 JHCB biogenic Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101484068 JMMQRWZZOPIFOI-YPAWHYETSA-N 482.448 3.598 10 40 JHCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408810536 TXORTLSAJDIDQM-XNTDXEJSSA-N 459.296 3.913 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408893267 LSEBKBIGEWUDNH-MOSHPQCFSA-N 467.518 3.636 10 40 JHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 8738612 UEDHMTNQCCDQTG-AWNIVKPZSA-N 465.245 3.972 10 40 JHCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1cccc(F)c1 33533107 JFUMUGCZVNOMMR-RGVLZGJSSA-N 495.894 3.967 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 33661602 BIJNLEUSHBVWGJ-BOPFTXTBSA-N 456.838 3.912 10 40 JHCB COCCN1C(=O)/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S 98086708 JZCHEQMTPZIBOC-JWGURIENSA-N 477.586 3.692 10 40 JHCB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 260793317 IITMQVUQRLSFJX-IRXDYDNUSA-N 465.566 3.987 10 40 JHCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Br)c2)C1=O 409044717 WUMAXHPPXNENIZ-AWNIVKPZSA-N 493.697 3.541 10 40 JHCB CCn1c(CSc2ncc(-c3ccccc3)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 8719222 JYHDVJQCYMEJPS-UHFFFAOYSA-N 455.609 3.999 10 40 JHCB Cc1cc(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)n1-c1ccccc1 9112162 UYIDSIRWCUPERM-UHFFFAOYSA-N 459.999 3.970 10 40 JHCB COc1ccc(S(=O)(=O)N2CCN([C@@H](c3ccc(C)cc3)c3ccccc3O)CC2)cc1 12976638 SETFUKJYKDNUTO-VWLOTQADSA-N 452.576 3.805 10 40 JHCB CCN1C(=O)/C(=C/c2cc(Br)cc(I)c2O)SC1=S 36617143 QAHNQCKMDNCRNP-WTKPLQERSA-N 470.151 3.980 10 40 JHCB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220891 QGJHYCMBMKFGCF-OAHLLOKOSA-N 478.453 3.986 10 40 JHCB biogenic Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccn1 223173672 PDRMLMHODZIISS-DQEYMECFSA-N 476.650 3.579 10 40 JHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)cc(Br)cc3[N+](=O)[O-])C2=O)c1 408532497 MWPNHSBFCQOKQC-NTEUORMPSA-N 473.283 3.861 10 40 JHCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1 409244881 JZYRNTFIRGNYBR-OQLLNIDSSA-N 492.338 3.952 10 40 JHCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)O)C1=O 618254558 FCWZXGZYSWVNOP-DZBQEORWSA-N 456.545 3.687 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 6387842 HGLXZNAPSUTBGF-WJDWOHSUSA-N 458.312 3.580 10 40 JHCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 8800272 OZAGUENMHJPOHR-RUZDIDTESA-N 484.666 3.841 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 12552596 FZBCPONMRYYDMR-HXUWFJFHSA-N 483.613 3.987 10 40 JHCB O=C1[C@@H](/N=N/c2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 20523061 OVCFYTGZRGJZBK-UTTYWZDOSA-N 465.447 3.745 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 108093054 HWNOOBUGQMWTJW-UYRXBGFRSA-N 463.833 3.929 10 40 JHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544464 WFJBUNWZJRFHJN-GZTJUZNOSA-N 473.416 3.786 10 40 JHCB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 3078715 PRWMXXJRNKWPQV-UHFFFAOYSA-N 467.912 3.850 10 40 JHCB CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O 28632273 DIUPGRBVFQAROY-CXUHLZMHSA-N 479.714 3.506 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1[N+](=O)[O-] 96936842 KZYNAMIOVVPPQV-IUXPMGMMSA-N 491.934 3.608 10 40 JHCB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)s2)cc1 260773006 YIPMNQBXECBYQM-KRWDZBQOSA-N 485.635 3.814 10 40 JHCB CSc1cccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)c1 408530241 JSTWWYBAJOMBIW-IUXPMGMMSA-N 472.573 3.913 10 40 JHCB Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409005216 SIQFWSZQPRSUGR-QNGOZBTKSA-N 455.470 3.679 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC(C)C 409241557 YIFUISOFDMRCOM-OVCLIPMQSA-N 474.311 3.696 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 8819121 ICTHRIAWUAANDB-GDNBJRDFSA-N 462.622 3.975 10 40 JHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 9059788 WNADWYVHGWNWKB-XYGWBWBKSA-N 476.533 3.557 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 10232940 MODVQRVQLRLQKA-QNGOZBTKSA-N 486.615 3.663 10 40 JHCB O=C1/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 40221241 HKKUXEYLVYOQOS-CQUHBBLWSA-N 465.556 3.867 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OCC)c3)C2=O)cc1 59484152 PILODMPHOUIWNK-DHDCSXOGSA-N 475.295 3.619 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 59536126 CBRBWXDFRDXBEE-UHFFFAOYSA-N 452.919 3.995 10 40 JHCB COc1cc2c(cc1OC)CN(C(=O)c1c3c(n4ccccc14)C(=O)c1ccccc1C3=O)CC2 95608992 LQGDGFBWNXBCHV-UHFFFAOYSA-N 466.493 3.930 10 40 JHCB biogenic COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223034548 JUJMSMYSTOBPNK-DHIUTWEWSA-N 464.591 3.895 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1 408961358 RZTDATRXPBJUOZ-KGENOOAVSA-N 456.454 3.939 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1I 409014974 RAWIWERMUFVPTM-OQLLNIDSSA-N 492.338 3.748 10 40 JHCB O=C1C(=Cc2ccc(N3CCOCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 409021055 XIFZFNFOYIYLEJ-UHFFFAOYSA-N 459.527 3.865 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)cc1 409241382 SFKBKSVRNMVIME-UHFFFAOYSA-N 485.650 3.588 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cc4cccnc4n(Cc4ccccc4F)c3=O)CC2)cc1 10188137 XSPYOASCJURZFR-UHFFFAOYSA-N 472.520 3.555 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(Br)cc1OC 12868250 JJTGXNHALGIFGJ-NTEUORMPSA-N 451.317 3.651 10 40 JHCB NC(=O)[C@H]1CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2ccccc2O1 13040855 QOIPBKNJOWHCRL-AIIPKAINSA-N 468.488 3.971 10 40 JHCB O=C(O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 35649019 WYPRIGQXCYXSTG-NTEUORMPSA-N 463.334 3.694 10 40 JHCB COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1O 96114262 LLTQUKCCEHHCEL-CYBMUJFWSA-N 492.436 3.741 10 40 JHCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC 408811988 MIYXSBKXVPATCQ-OQLLNIDSSA-N 475.295 3.531 10 40 JHCB Cc1cc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1Cl 9076169 OASJTEHBCRGNHB-UYRXBGFRSA-N 453.882 3.784 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(OC)c(OC)cc3OC)c2C)cc1 9509880 LZNYRKWSOPBYLV-UHFFFAOYSA-N 481.501 3.946 10 40 JHCB COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)cc1 12527598 UZDGHUBKPJBWMQ-UHFFFAOYSA-N 491.963 3.858 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1Cl 13008030 PKMDNVCAXDBHJP-JOCHJYFZSA-N 471.001 3.623 10 40 JHCB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3 13575542 NTOYHLJDGUHULI-XMMPIXPASA-N 475.545 3.534 10 40 JHCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 13672502 NOUYFGBXXBOGFF-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N=C3O)CC2)cc1 27020602 FABLEEMXRFBWCG-UYRXBGFRSA-N 493.614 3.667 10 40 JHCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1)c1ccc(Cl)cc1 222688329 JGEFWOZUKZCGGJ-UHFFFAOYSA-N 477.999 3.523 10 40 JHCB O=C(CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccccc1F 409216173 IIIWQNXSVCHDTP-VCHYOVAHSA-N 483.839 3.969 10 40 JHCB CCNc1nc(NCC)n2c(S[C@@H](C)C(=O)c3ccc(Br)cc3)nnc2n1 8871572 JACUBUXJIKJPRL-JTQLQIEISA-N 450.366 3.509 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@H](CO)Cc1ccccc1 10232911 KBRQQSUIVSMGHJ-NFBGKYEXSA-N 461.008 3.651 10 40 JHCB O=C(NN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S)c1ccccc1 409180416 SEJRIDJYVPLZPM-AQTBWJFISA-N 450.501 3.932 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N(CC)CC)cc2OC)C1=O 409220852 GUSAUOWAQHPBQV-KGENOOAVSA-N 450.539 3.635 10 40 JHCB Cc1csc(CCNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)n1 1616044638 LFDBYQOKIAHSHA-AREMUKBSSA-N 485.613 3.912 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Br)o3)C2=O)cc1 2258694 WNQFKFXSAWLQGI-IZZDOVSWSA-N 454.074 3.779 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(I)cc1 8424792 GWAGRKITHUPGSL-ZROIWOOFSA-N 467.650 3.523 10 40 JHCB COc1ccc(N2CCN(CN3C(=O)C4(OCC5(CO4)C[C@H]4C=C[C@@H]5C4)c4ccccc43)CC2)cc1 12420891 YSQVFHTXSMATQB-GGJUFULKSA-N 487.600 3.604 10 40 JHCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)n1-c1ccccc1 223206565 RFICFJIWIGPSFP-LOSJGSFVSA-N 461.635 3.876 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2356156 RXVHQZLQHUKZKA-AQTBWJFISA-N 484.603 3.836 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OC 409107888 XQVBXGDLBMWEPT-YRNVUSSQSA-N 451.262 3.686 10 40 JHCB CCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 8452968 VVOUXAPGVGQFQL-NTCRLEKGSA-N 484.559 3.882 10 40 JHCB CCCn1c(CCC(=O)NCc2ccc(N(C)C)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 9951001 FJPIFWXPHRCITC-UHFFFAOYSA-N 497.665 3.546 10 40 JHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCCCC3)ccc21 13008029 UKNRAVHSHIAVRJ-QFIPXVFZSA-N 490.526 3.859 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 13649413 NQDSIOJDFGLSJO-UHFFFAOYSA-N 480.428 3.522 10 40 JHCB C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20288318 WFNLACLGQBFSNN-QNGOZBTKSA-N 450.495 3.610 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1cc(Cl)ccc1F 98002892 FHRMWEPTXVBKKL-IUXPMGMMSA-N 464.927 3.839 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)c1 107681238 MNLYTDXTAKHYTE-XDHOZWIPSA-N 453.539 3.964 10 40 JHCB CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 223657307 HEHRYUBAIGUGDV-UHFFFAOYSA-N 450.004 3.901 10 40 JHCB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1C(=O)CCC1=O 224958269 GIIAZAMMLBDBSV-QZTJIDSGSA-N 485.606 3.624 10 40 JHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)C1 260759307 AKDLZARBJJSTKA-OALUTQOASA-N 461.603 3.701 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C2=O)cc1 408772214 CRIATDHECIOIMW-GZTJUZNOSA-N 462.374 3.738 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br 408794699 AXUBIPAYXAOSBE-LFIBNONCSA-N 459.296 3.913 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408942921 REEZBVDMLWIWEO-FYJGNVAPSA-N 460.417 3.769 10 40 JHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409215732 AMMHEGNCHGJSEX-HMAPJEAMSA-N 498.626 3.955 10 40 JHCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@H]21 6177644 JMVHJZVLXNTUQY-MZKRTTBSSA-N 454.548 3.541 10 40 JHCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 8454217 IMTBEAHKSQDZEG-LQWHRVPQSA-N 474.966 3.886 10 40 JHCB COc1ccc(N2CCN(C(=O)c3c(C)nc(Nc4nc5ccccc5o4)nc3C)CC2)cc1 9937516 JVCFYFUCQKQEAZ-UHFFFAOYSA-N 458.522 3.949 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 16915001 MXNVMYTWKUPTSR-QHCPKHFHSA-N 488.654 3.795 10 40 JHCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O 20533588 DXSRGCQCCJDVEK-NLJXWPIHSA-N 499.498 3.529 10 40 JHCB CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)c(CN2CCN(C)CC2)c1O 22874288 AFXHVGBMUFEZJZ-UHFFFAOYSA-N 460.582 3.660 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3ncnc4c3[nH]c3ccc(F)cc34)CC2)cc1 33172708 VWTIOXRHMPXJIV-UHFFFAOYSA-N 451.527 3.700 10 40 JHCB COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 108073826 UNTJVWNQGSLHIH-XSFVSMFZSA-N 489.459 3.518 10 40 JHCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 408780726 JBHHCTQWNYCZFW-WUXMJOGZSA-N 480.658 3.686 10 40 JHCB COc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 3501731 BZULEUQLKCRMOI-UHFFFAOYSA-N 463.519 3.782 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9951406 HBVKZPKFXAGWQQ-UHFFFAOYSA-N 468.557 3.554 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1OC 20287156 GDNJSCYMFANHAD-STZFKDTASA-N 450.520 3.634 10 40 JHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 20287432 ALLVJGIXZBPOPM-UCQKPKSFSA-N 452.461 3.818 10 40 JHCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223206766 OECIELCEVGCEAB-FTJBHMTQSA-N 491.661 3.884 10 40 JHCB CCN(CC)c1cc2c(cc1N/C=C1\C(=O)N(c3ccc(F)cc3)N=C1C)n(C)c(=O)n2C 408535516 SYEFZLBVERZDDA-JXAWBTAJSA-N 450.518 3.581 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408773240 HNPCLSUVYDOQQC-FOOJEKODSA-N 493.604 3.784 10 40 JHCB COc1c(Br)cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1Br 631596 IZVPAQNPSQCARF-XYOKQWHBSA-N 462.163 3.523 10 40 JHCB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCCN1CCN(c2ccc(OC)cc2)CC1 32501639 TWLRIHQIFRTZJK-UHFFFAOYSA-N 463.582 3.666 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 59139555 PHEMSQIXCUHHOR-UHFFFAOYSA-N 489.391 3.944 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)CC2)cc1 637909 CIGKSVLGIYAMRM-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB Cc1oc2c(CN3CCC[C@H]3C(=O)O)c(O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 2132623 OLGWJMXQAJFNQU-SFHVURJKSA-N 451.475 3.684 10 40 JHCB biogenic N=C1/C(=C/c2cccn2CCOc2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085092 QUTZCHMVAMUQIF-REANCEOQSA-N 468.970 3.893 10 40 JHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862050 CDYCBOBSXDNMEZ-YTFSRNRJSA-N 458.474 3.712 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(F)c1 223140272 SGVFWQJMXVFESN-DQEYMECFSA-N 479.625 3.933 10 40 JHCB CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 2359305 ASIDIWADHCVTCW-AQTBWJFISA-N 455.381 3.974 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21)NC[C@@H]1CCCO1 8663736 BCFZPNUVGUYCGD-DAQNXSASSA-N 490.491 3.582 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 13546738 MDNSMJLEPUEFRJ-VBKFSLOCSA-N 450.447 3.704 10 40 JHCB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCCC2)cc1 225512023 QYRNCZZZANBANK-IFMALSPDSA-N 455.624 3.955 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2OC)cc1 408534534 MGQFADSNCREHPD-MHBAKHQESA-N 490.512 3.573 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 409096322 KQAYXFHGLXCKBO-XKZIYDEJSA-N 497.573 3.988 10 40 JHCB O=C([C@@H]1CN(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)c2ccccc2O1)N1CCCCC1 9864790 WRJGMOHDUOPRCH-AAJFVQQISA-N 456.546 3.751 10 40 JHCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N21 32969758 UQVQVXBADWBEQA-SBPWCSLQSA-N 464.550 3.565 10 40 JHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(F)cc3)C2=O)o1 107837567 CLFXDCCTCYAMIR-MTJSOVHGSA-N 493.491 3.943 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 260890369 CQGDLITZLOUGJI-IRLDBZIGSA-N 455.624 3.640 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1 408778316 DHOCUYLIFUMDLT-AWNIVKPZSA-N 493.697 3.541 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc(OC)c1OC 1767112 WEROHFKBEJUTDS-ODLFYWEKSA-N 486.571 3.755 10 40 JHCB O=C(CN1C(=O)/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2ccccc21)NCc1ccccc1 16733046 ITTCNNSGJPACIU-DQRAZIAOSA-N 477.611 3.864 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C(=O)O)cc1 223270773 KWALLZACVMLYAZ-GOTSBHOMSA-N 463.607 3.721 10 40 JHCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc2ccccc12 408661154 MCBWXTVIQOYMAR-LSQMVHIFSA-N 482.536 3.884 10 40 JHCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)SC1=S 409141808 JBSKNAGYFLSWOW-PXNMLYILSA-N 464.410 3.857 10 40 JHCB CC(C)CN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2399477 WPJCUJSJIUFXSO-GEBKJHSDSA-N 480.615 3.697 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 15385457 IAOZFSBBZLWRDK-UHFFFAOYSA-N 477.508 3.658 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccc(OC)c3)c3sc4nc(C)nn4c3O)CC2)cc1 23157926 CMHPAIFESAKEAP-NRFANRHFSA-N 465.579 3.734 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)CC2)cc1 89635144 ZUKAIADSBSKQMS-UHFFFAOYSA-N 465.575 3.767 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1cccc(Br)c1 98002883 KRAHZDCAXONJBQ-MFOYZWKCSA-N 491.388 3.809 10 40 JHCB CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1 102059590 UMLULVIXRRRYMS-DNVJHFABSA-N 467.477 3.780 10 40 JHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(C(=O)O)cc2)SC1=S 256028154 WMNZLJRWPHYJAE-XIDKLXSXSA-N 456.545 3.673 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 409039087 BJXOSMJOLXGPOO-XQNSMLJCSA-N 485.496 3.769 10 40 JHCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409206050 UVZNGRSCMKFEPW-FYJGNVAPSA-N 465.531 3.733 10 40 JHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c1 409211944 PHSFZWVAKAQSKM-HYARGMPZSA-N 472.501 3.554 10 40 JHCB COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1=O 1545331417 JIVFBUOOZPHOHO-IBGZPJMESA-N 451.548 3.786 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccccc3)CC2)cc1 38487576 XLOROALXTVETJK-UHFFFAOYSA-N 457.577 3.520 10 40 JHCB CC(=C/c1ccccc1)/C=C1/SC(=S)N([C@@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O 96834578 KRBIUBQLRKODFF-JDHDWJERSA-N 472.588 3.607 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br 409221019 JIPDACKZIRUTLI-MDWZMJQESA-N 461.337 3.606 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 9763819 YAQDAOLLUCARQY-ULJHMMPZSA-N 476.577 3.725 10 40 JHCB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)Oc3ccccc32)cc1 10113628 CGJDQXYAYSLOJU-AREMUKBSSA-N 491.613 3.868 10 40 JHCB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C 13079232 RTKZRUCMLVSGFY-UHFFFAOYSA-N 478.523 3.742 10 40 JHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1Cl 20206368 LLOGNNBZJULUEN-FREPTNQOSA-N 475.983 3.677 10 40 JHCB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854990 AZXGETWXJYWWLC-QFIPXVFZSA-N 479.606 3.988 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1 107981654 QDQABOKYANXUSB-ODLFYWEKSA-N 493.859 3.987 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 409050167 ZSZJSGVRCBJGNE-HYARGMPZSA-N 485.496 3.688 10 40 JHCB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409207771 ZRRGXWGPMWTCBD-VWDHRRFHSA-N 476.577 3.835 10 40 JHCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 409394135 WEQCOEDJDHPUQR-FYJGNVAPSA-N 499.914 3.995 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 225285978 XWNPUWSSNZVNQJ-UHFFFAOYSA-N 457.640 3.699 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408695603 WRCYYXDDHHNZBG-WOJGMQOQSA-N 497.935 3.771 10 40 JHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2441174 ZUTDAWTWLZTAEP-NGPAHMQLSA-N 460.514 3.685 10 40 JHCB COc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 16269112 XNVVVXOSEUELLY-NVNXTCNLSA-N 475.364 3.914 10 40 JHCB Cc1cc(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccc2c(c1)OCO2 22038395 JNVQPUHEXJNEOI-UHFFFAOYSA-N 475.545 3.552 10 40 JHCB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 27022959 ZFPDJUKMUHQXCM-GHRIWEEISA-N 481.555 3.861 10 40 JHCB C[C@H]1CN(C2=NC(=O)/C(=C3\C(=O)N(Cc4ccc(F)cc4)c4ccccc43)S2)C[C@@H](C)O1 39983133 XIDWRBAQWAURAF-LEXKCHRASA-N 451.523 3.822 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@@H]1C 104123472 XRESMPGYVTUMSP-TUGMJPTQSA-N 470.507 3.823 10 40 JHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622272 UIRODVWLBVZMKJ-GOTSBHOMSA-N 464.591 3.851 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1cc(C)cc(C)c1 408871639 IBBYVIWJLSXMJL-UHFFFAOYSA-N 459.365 3.580 10 40 JHCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409227834 RSEWZBASMWBKKE-VCHYOVAHSA-N 450.882 3.818 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 409252925 UMDURMRMEYXXLD-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 10113151 LAJLPNZAXOEYEK-UHFFFAOYSA-N 450.004 3.721 10 40 JHCB C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13648868 VZMPCABGYZHUBP-QGZVFWFLSA-N 450.004 3.801 10 40 JHCB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccc(N2CCCC2)cc1 44901226 MNQMHQATPFJVRT-UHFFFAOYSA-N 465.550 3.918 10 40 JHCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 58903814 RSTGGNCSMIEHHB-ODLFYWEKSA-N 486.318 3.878 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)c1 408914741 YUAUOHWQMUJGKI-CIAFOILYSA-N 461.449 3.686 10 40 JHCB O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1F 409377235 GWISGAAPPHQYOR-RGEXLXHISA-N 475.501 3.675 10 40 JHCB Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1cc([N+](=O)[O-])cc(Cl)c1O 4280969 RXBSMELZKWYFCU-VHEBQXMUSA-N 453.820 3.816 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(OC)c1 8800236 YXJFZAKYADFOJZ-QHCPKHFHSA-N 473.639 3.592 10 40 JHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 8819327 PGKKDXFGILSFJD-FXBPSFAMSA-N 467.616 3.635 10 40 JHCB COc1cc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc(OC)c1OC 8870241 GQEXMXIUMXKPDJ-LZYBPNLTSA-N 492.491 3.757 10 40 JHCB O=C1C(=O)c2cc(I)ccc2-c2ccc(I)cc21 8989770 FJEXTLBWOUQIBN-UHFFFAOYSA-N 460.008 3.942 10 40 JHCB biogenic COc1ccc(N2C(=O)CN(c3ccc(OC)cc3OC)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15413096 NCEQXAPGSDWGJL-SANMLTNESA-N 475.545 3.900 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)cc1OC 101145634 UNNPNGIHDYOYIK-WXFUMESZSA-N 497.503 3.707 10 40 JHCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(C)cc3)C2=O)c1 408535933 PDOXAZYCUAVBQP-STZFKDTASA-N 456.454 3.889 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)c(OC)c3)CC2)cc1 3449392 VAZGMDOAMLPBOF-UHFFFAOYSA-N 451.523 3.850 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 33422783 QNJQHWHLAHLZTJ-STZFKDTASA-N 475.476 3.703 10 40 JHCB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N1C(=O)CCC1=O 260762086 GIIAZAMMLBDBSV-ROUUACIJSA-N 485.606 3.624 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccccc2)c1 408811826 OKHIEFXUEAPETA-CIAFOILYSA-N 473.441 3.849 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1O 408986139 LSMCOZQKHZAXFA-XGICHPGQSA-N 465.687 3.792 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(Br)cc1O 1417257 IAYNGTQGQNNCQQ-OVCLIPMQSA-N 465.350 3.710 10 40 JHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2441177 ZUTDAWTWLZTAEP-LLUUXILJSA-N 460.514 3.685 10 40 JHCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CSCc3cc(-c4cccs4)on3)cc2)C1 58244778 NZEFQBLZBGTVMC-QGZVFWFLSA-N 470.620 3.654 10 40 JHCB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96116227 COKHQSBELXEBTA-CQSZACIVSA-N 460.394 3.716 10 40 JHCB biogenic NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4Br)o3)S2)CC1 98086561 JCTJGXVLJDSKKE-GZTJUZNOSA-N 460.353 3.877 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 260890370 CQGDLITZLOUGJI-RBBKRZOGSA-N 455.624 3.640 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1I 408722498 JOJZPCQBEUNVLH-NTUHNPAUSA-N 498.729 3.785 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408818286 XJNNVOKBOQUCBN-UDWIEESQSA-N 461.405 3.979 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 5494124 ZLPDFOZLOKQVSV-HFMPRLQTSA-N 468.575 3.711 10 40 JHCB COc1ccc(N2C(=O)CN(c3ccc(OC)cc3OC)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15413099 NCEQXAPGSDWGJL-AREMUKBSSA-N 475.545 3.900 10 40 JHCB CCC[C@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 36034339 PJFUKQUHHPUDEJ-FAWUNYRSSA-N 474.513 3.628 10 40 JHCB Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 41085079 KLJVJVHXRXKANV-DULIVUPNSA-N 459.531 3.887 10 40 JHCB CCc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O 41085099 KLMLCPDIJRLFKC-MYCBFFIWSA-N 462.579 3.802 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223273696 ALCSJVLULWYCOH-BJKOFHAPSA-N 494.621 3.940 10 40 JHCB CCOc1c(Cl)cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC 409012905 LNSQBUHPUUVDBE-ATVHPVEESA-N 458.898 3.773 10 40 JHCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 409043631 SJMSFNYYYNNMOJ-WUXMJOGZSA-N 496.111 3.592 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)c(C)c1 409195806 SCMKZTMYCLTBFY-XDHOZWIPSA-N 490.493 3.571 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2259775 FGWIUVBCCCBLDW-IZILLXMLSA-N 480.615 3.758 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)cc1 8900476 XAGCDYKBODZEMC-MHZLTWQESA-N 473.529 3.905 10 40 JHCB COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 9672652 XXEGVGFNLUSBFI-IBGZPJMESA-N 483.428 3.894 10 40 JHCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 10113245 BMSWXOXTSPUCRG-UHFFFAOYSA-N 471.623 3.790 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 16914796 ZHOKQGUNBNIPBQ-AREMUKBSSA-N 465.619 3.839 10 40 JHCB CSC1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=N)N12 20205460 DRJKVACDYYUVCJ-XGMUFTHNSA-N 472.573 3.702 10 40 JHCB CCOc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OCC)c1OCC 22733448 YVOSCBYGNWFYRI-XMMPIXPASA-N 497.636 3.678 10 40 JHCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 33651551 DDHZDXVVUIAFRN-WOJGMQOQSA-N 451.529 3.834 10 40 JHCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 33705382 UZICSMWHNXYOEF-MOSHPQCFSA-N 477.904 3.828 10 40 JHCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1)c1ccc(Cl)cc1 224127076 VUEWZHOBVJRJBQ-UHFFFAOYSA-N 492.026 3.913 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 408897181 HXYRARIETBWLNA-PXLXIMEGSA-N 499.523 3.996 10 40 JHCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409070175 XVRXYHPHZADHPF-BJMVGYQFSA-N 469.664 3.777 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(Br)c1 409394394 ZXOFHLOFHAVLBJ-YBFXNURJSA-N 465.307 3.918 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 3328551 VQFUJSHORZRXRV-HHHXNRCGSA-N 471.513 3.789 10 40 JHCB CCOc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1OC 33288593 SAGMYWYHGZJOKZ-VGOFMYFVSA-N 498.704 3.813 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCc3ccccc3C2)cc1 36683825 BGFNGIPXXYFDIO-VWLOTQADSA-N 478.543 3.885 10 40 JHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 169680761 OXZGSFKSBBACKX-NJDAHSKKSA-N 459.404 3.660 10 40 JHCB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1 2637741 RRVCCBWSXQSPPI-UHFFFAOYSA-N 497.569 3.764 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 3044227 JZUPCAUCPGNSHJ-VIZOYTHASA-N 461.433 3.581 10 40 JHCB CCCCN1C(=O)N=C(O)/C(=C\c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)cc2OC)C1=O 9027336 WVMJBRGGNGCZMF-XDHOZWIPSA-N 491.500 3.602 10 40 JHCB COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 9309714 LZBVGPLDMASHQE-KALPRAJFSA-N 465.509 3.652 10 40 JHCB N=C1/C(=C\c2ccc(OC(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 9425509 BLKAGASATGOLNI-KBFOAYOGSA-N 455.293 3.917 10 40 JHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCc1ccc(F)cc1 13149542 UKIXZPLRLQGGIL-UHFFFAOYSA-N 451.837 3.728 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1 408938269 PTQJWYIVFRQYEO-STZFKDTASA-N 474.444 3.858 10 40 JHCB O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2332125 PRMKPPASLZDVRX-VKAVYKQESA-N 472.661 3.782 10 40 JHCB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18181888 GHWKPAAMHDFKFG-XPWALMASSA-N 485.467 3.920 10 40 JHCB CN(C)c1ccc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)cc1 23080954 CRPPCBUQVJVRPJ-UHFFFAOYSA-N 460.987 3.817 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c(OC)c1 59594197 VCWWTANFVDDMOA-GZTJUZNOSA-N 452.463 3.934 10 40 JHCB CCCCC(=O)Nc1ccc(S(=O)(=O)O)c(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 104205726 YJMLQEMPMUOIKW-TWMRLEJJSA-N 457.512 3.937 10 40 JHCB CN(c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O)C1CCCCC1 8781010 ZVGISRMYTDEXOF-FJSNCCPHSA-N 484.647 3.844 10 40 JHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 8858354 UMYWEFMYXYSJAI-JZJYNLBNSA-N 494.642 3.977 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)c1 59104083 HIRFZJZRUAJFJS-OQLLNIDSSA-N 471.422 3.613 10 40 JHCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(S)N(c2cccc3ccccc23)C1=O 102623398 IBYAIFGVQKACKH-MNJKBJKMSA-N 498.564 3.738 10 40 JHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 224427408 ZUPZRAGZSGGOAP-LJQANCHMSA-N 461.603 3.701 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 224957456 SAQHWNMHWQQRBP-UHFFFAOYSA-N 475.680 3.972 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(I)cc(OC)c2)C1=O 408867108 JJGNJMKGLOKLTG-YBEGLDIGSA-N 476.270 3.529 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 16914677 AGQIZXAGRWADCY-NDEPHWFRSA-N 492.689 3.778 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 41083863 RRSBXUWFDROBOQ-OOEDSJJISA-N 469.592 3.722 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)CCC2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 62620733 UQFKJTGRQRIFDR-UHFFFAOYSA-N 470.831 3.641 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)c(C(=O)O)c3)C2=O)ccc1Br 408532490 MWGZTGMGUNQHCO-MDWZMJQESA-N 478.686 3.688 10 40 JHCB CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)sc2c1CCCC2 408537066 YYXRWUBDRDFRCJ-FOWTUZBSSA-N 467.547 3.999 10 40 JHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 408947276 BQZSLGUCKHABIU-VGOFMYFVSA-N 458.854 3.533 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)c1 408964204 BWFZRYPZMWHAGR-HZHRSRAPSA-N 487.512 3.946 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409020252 NDFXJCGUKXTPIC-LICLKQGHSA-N 480.274 3.635 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409173027 KRYAOWOGUQIAAN-UKTHLTGXSA-N 491.363 3.696 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)c(C)c1 409199746 DLULCRWGIJKNEF-KGENOOAVSA-N 472.570 3.937 10 40 JHCB O=C(COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1F 409377959 LBVQTNJADVURBZ-JXAWBTAJSA-N 475.501 3.675 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)n1-c1ccc2c(c1)OCO2 3381223 WKIQVEOIQADHHV-UHFFFAOYSA-N 491.468 3.859 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1 59426719 KQIHSINWJJWANE-NTUHNPAUSA-N 480.112 3.892 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1F 223139895 WDDFQHXEXHVLSN-RPBOFIJWSA-N 479.625 3.933 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNc2ccc(C)c(C)c2)C1=O 408536649 WZSDMBOCWCCTIV-GZTJUZNOSA-N 457.328 3.712 10 40 JHCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)Nc1ccccc1 408694505 IUWURIHNLANVNP-KGENOOAVSA-N 456.502 3.684 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 19502001 DBICFSMPMVVPEJ-TVQWTUMOSA-N 491.588 3.507 10 40 JHCB CN1CCN([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)CCCN3C)CC1 22734748 CPWPOJNHXGBVCC-HSZRJFAPSA-N 460.544 3.806 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 26531685 IKJZOSHZSFGXNE-HFLBSWBQSA-N 498.674 3.865 10 40 JHCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 41085156 ZZNUPOANGQCUFE-MHHBVAOCSA-N 477.550 3.983 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1O 408723248 RZDYYHJKTJHYPQ-AWNIVKPZSA-N 467.728 3.648 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OC)c1 408799947 LWVXLJNBOQAGMC-HYARGMPZSA-N 458.470 3.949 10 40 JHCB CCOc1c(Br)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 2121674 XYKRXWPHPBJWPV-BJMVGYQFSA-N 481.187 3.896 10 40 JHCB Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cc2c1C 9551737 NDKDGAXOROWEHE-UHFFFAOYSA-N 479.558 3.879 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 35152547 LLADOEJSWGDCNS-UYRXBGFRSA-N 463.833 3.929 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085024 NVSXHBRQCWARPH-RQUXIJKASA-N 475.530 3.667 10 40 JHCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]32)cc1 101149182 WFLWOVGGJGLYIB-BDTNDASRSA-N 471.440 3.529 10 40 JHCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225952332 YCLLMZNYVLWEEU-UHFFFAOYSA-N 495.697 3.780 10 40 JHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 408779385 VXSVAPVHUUPGCG-JJIBRWJFSA-N 484.556 3.906 10 40 JHCB O=C(Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1c[nH]c2ccc(F)cc2c1=O 1547201029 QMEHFKPYBSAAQX-UHFFFAOYSA-N 451.413 3.577 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1O 1161880 WCIVUWWVJPCERO-LFYBBSHMSA-N 465.687 3.792 10 40 JHCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 9526236 WLDBTJIKUOKHQE-UHFFFAOYSA-N 454.527 3.929 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 12363670 ZGWPNUSOLQIVRI-YBEGLDIGSA-N 460.939 3.977 10 40 JHCB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 13674833 WHXHKNFJNHXMPT-UHFFFAOYSA-N 467.566 3.938 10 40 JHCB O=C1[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1 18143840 SDJUDUGVJCRDCE-BHIFYINESA-N 455.441 3.516 10 40 JHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC 113470802 BOWRBUVGOHTWAC-MTJSOVHGSA-N 488.884 3.917 10 40 JHCB CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccc(Br)cc23)SC1=S 409127997 HHEJZPKXSZQMMS-IGYCIJMVSA-N 494.436 3.530 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 409229665 SPOUHRVUJROACE-XDHOZWIPSA-N 473.485 3.888 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OC)cc2OC)C1=O 409231553 JTSUXFDEIOAJNR-UKTHLTGXSA-N 475.295 3.531 10 40 JHCB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=S)N1 9540679 CYTOMKXYGZVDMN-HXUWFJFHSA-N 476.524 3.974 10 40 JHCB COc1ccc(Cl)cc1CN(C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 15551273 GVGYHZNVHBEZOC-UHFFFAOYSA-N 475.998 3.718 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1 20207466 WAKHXFGQSJLYSK-ICUZCALPSA-N 485.591 3.503 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1Br 409228997 IHKLMFWHNKUXFS-SDNWHVSQSA-N 459.296 3.913 10 40 JHCB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 409343496 HHKURBFWDGZELZ-MDWZMJQESA-N 460.371 3.621 10 40 JHCB CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)s1 8819408 ZNEATYPLLBMLRA-GDNBJRDFSA-N 478.621 3.738 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)cc1 9259329 CQHAYOHZAPNESP-BKUYFWCQSA-N 489.553 3.941 10 40 JHCB COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)c2c1 10232973 PETCHFSFWLSHAF-JMIUGGIZSA-N 469.563 3.876 10 40 JHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c1 16693215 FDTROQRVLWZYIV-CAOOACKPSA-N 454.280 3.996 10 40 JHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 20287401 NVMLRMGVSROLGV-JLPGSUDCSA-N 475.505 3.757 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 59595146 MIAAHODOMJOBRV-FYJGNVAPSA-N 491.569 3.951 10 40 JHCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1F 108219763 JUQFEUYISPBTTH-JXAWBTAJSA-N 459.433 3.510 10 40 JHCB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 225304027 RNKSGYDUEBELNS-UHFFFAOYSA-N 480.015 3.769 10 40 JHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccccc3I)C2=O)c(C)c1 408536923 YFTSUSZEODMZHI-GXDHUFHOSA-N 475.286 3.795 10 40 JHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 13615043 TVVGSPWJMKWFCY-ZHZULCJRSA-N 469.339 3.640 10 40 JHCB CCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 16734612 GRGQPDUIALZIBJ-AQTBWJFISA-N 450.589 3.879 10 40 JHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1I 408984832 SWPBNTUCDURVIV-WJDWOHSUSA-N 490.297 3.919 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC1=S 3044018 MDBKPDBIBPQOHO-NTUHNPAUSA-N 471.297 3.837 10 40 JHCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 9424215 CDSOKUWRWIWSPC-VYIPLNHISA-N 478.553 3.865 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C 12363661 CVERZSUEQAHSHD-STZFKDTASA-N 489.553 3.721 10 40 JHCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-] 16733072 HEVJZSQHAJEPJE-KGENOOAVSA-N 491.529 3.759 10 40 JHCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1OC 100695834 DNENMPQCGGKATE-KMDXXIMOSA-N 497.503 3.707 10 40 JHCB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230417 RDXWPYKGQHZTDY-YYZJCXNBSA-N 497.595 3.970 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc(Cl)c1 408866087 DIRJKVKUXYTWCS-UHFFFAOYSA-N 481.755 3.604 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1N1CCOCC1 409231889 LOIZDZULCWWQQM-LDADJPATSA-N 475.492 3.682 10 40 JHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 1186404 QFUQSGPPIDPSAE-AQTBWJFISA-N 476.485 3.934 10 40 JHCB O=C1N=C(O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 13810052 XQMQYEIDKDDDNV-DHDCSXOGSA-N 480.816 3.898 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)N3CCOCC3)ccc21 16838325 CHIDEQUOUVOJEP-JOCHJYFZSA-N 458.400 3.635 10 40 JHCB C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Cl)cn1 21123834 LTKKKLNRNIMYBU-NSHDSACASA-N 479.832 3.603 10 40 JHCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)Cc4ccccc4)cc3)CC2)cc1 31689544 BKXDQYYAMHTMLR-RUZDIDTESA-N 460.574 3.683 10 40 JHCB Cc1c(N/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 102569028 GYUGRBLPJBDKAW-ATVHPVEESA-N 451.870 3.557 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4)c(C)c3)CC2)cc1 408626995 XBXOKYGHYHKFDI-UHFFFAOYSA-N 465.575 3.767 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OC(C)C)c1 408832011 QUMLGAXGBNFBKM-OVCLIPMQSA-N 474.897 3.819 10 40 JHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O[C@H](C)CC 408904292 HOSRNINOESSQSY-LLVKDONJSA-N 455.374 3.624 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409090261 LUQQSZFHGRRHSQ-GZTJUZNOSA-N 490.384 3.667 10 40 JHCB Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c(C)n1-c1ccc2c(c1)CCC2 8727733 LFQQWKIRWHNIOK-SFHVURJKSA-N 498.674 3.664 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2C)cc1 8900479 XAGCDYKBODZEMC-HHHXNRCGSA-N 473.529 3.905 10 40 JHCB CCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 9309916 BSGQHJDKMFLHBB-LFSVSOHWSA-N 484.559 3.800 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2OC)CC1 13504119 QZHKGBMQBLJTFI-DEOSSOPVSA-N 463.630 3.804 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 41085069 RLYBIVYZQZVBEZ-NTHYWZRTSA-N 475.530 3.587 10 40 JHCB COc1ccc(N2CCN(CN3C(=O)C4(OCC5(CO4)C[C@H]4C=C[C@H]5C4)c4ccccc43)CC2)cc1 100192929 YSQVFHTXSMATQB-YFVLFDEISA-N 487.600 3.604 10 40 JHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 408532957 NKCOTHZPTBJKRV-XDHOZWIPSA-N 474.477 3.593 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 408871908 ZJNHDKMDHQWWCY-VIZOYTHASA-N 496.688 3.928 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1 9284838 BJTJUWQEHTXTLP-UHFFFAOYSA-N 457.987 3.585 10 40 JHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O 16249136 YLYUDPPVIHFXHW-UYRXBGFRSA-N 466.339 3.965 10 40 JHCB C[C@@H]1CN(C2=NC(=O)/C(=C3\C(=O)N(Cc4ccc(F)cc4)c4ccccc43)S2)C[C@@H](C)O1 39983135 XIDWRBAQWAURAF-KNWBJPGPSA-N 451.523 3.822 10 40 JHCB COc1cccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 41082426 ZKUILCZFSOESEF-SYRCMRHXSA-N 479.489 3.621 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408914969 SKZCLWBVMRIIRF-VXLYETTFSA-N 478.436 3.816 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)c(C)c1 409248401 GEDYZYJRWIAAIJ-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 2454550 HRDXQLYCMBCNCX-WQRHYEAKSA-N 456.545 3.883 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c2C)cc1F 9739067 UQWRBZIOVBSOTP-SANMLTNESA-N 477.492 3.920 10 40 JHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 9884780 PMVWQSDURRWRQX-VWBIBIBXSA-N 482.879 3.637 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1 16196111 UVSSFJCEGOZOGO-YBEGLDIGSA-N 472.375 3.988 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)cc1 17058888 QWOLTQTVADBTRU-KGENOOAVSA-N 476.485 3.716 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccccc1F 20207152 OIAOIJNCRZWQCR-KMFLQCEESA-N 487.582 3.881 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 26531699 IKJZOSHZSFGXNE-JKNUMMMISA-N 498.674 3.865 10 40 JHCB COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4ccccc4Cl)CC3)c(F)cc2S1(=O)=O 33140739 XKIBNVRLUDPCQS-UHFFFAOYSA-N 491.972 3.576 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCC(C)C 96193325 HGZXJDHIRBMGAI-NDENLUEZSA-N 457.552 3.574 10 40 JHCB C[C@@H]1CCCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)C1 224800362 KCFNTDLRRGWEPO-QGZVFWFLSA-N 450.004 3.513 10 40 JHCB Cc1c(/C=C2/SC(=S)NC2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 409343231 DIBRIJATTHHDDV-DJKKODMXSA-N 451.529 3.806 10 40 JHCB CC(C)CN1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 16741238 HFEPMICVGZUXJT-GRSHGNNSSA-N 494.598 3.893 10 40 JHCB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(CN2CCOCC2)cc1)CO3 20589810 BYRDLSGEEZPUKY-UHFFFAOYSA-N 492.572 3.786 10 40 JHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC 27530606 BSBOHWDNFHMEFF-YBFXNURJSA-N 456.545 3.746 10 40 JHCB COc1ccc(N2CCN([C@H](CNC(=O)c3cc(OC)c(OC)c(OC)c3)c3ccco3)CC2)cc1 56946018 VGWCKQLKLHTOHP-JOCHJYFZSA-N 495.576 3.607 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 57486858 SAIUUDDQMCZYQJ-UHFFFAOYSA-N 457.534 3.871 10 40 JHCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1C 408531030 KEJSLUDNQOVVRE-YBEGLDIGSA-N 477.384 3.740 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 408797125 GFOXMLACGQWZDL-RCCKNPSSSA-N 456.454 3.719 10 40 JHCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3385301 ZKEYCAKTMAJPRP-UHFFFAOYSA-N 481.455 3.869 10 40 JHCB COC(=O)C[C@H](c1ccccc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96116261 ATENMZAKVUILJJ-CQSZACIVSA-N 464.426 3.683 10 40 JHCB biogenic COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3C)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100370138 VCSFDLJBNIZNML-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1 101484046 YGYAITKGVIYKEA-YTFSRNRJSA-N 496.475 3.907 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c2ccccc21 107849218 CBWKSGFGMFDSBB-DEDYPNTBSA-N 461.543 3.598 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 1151633 HPJAQMGMXAAKHA-PDGQHHTCSA-N 452.264 3.612 10 40 JHCB CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2336144 CMYIJWQZMBBYTP-UYRXBGFRSA-N 496.614 3.506 10 40 JHCB CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2376228 MKQCXWSHTZSGNN-SDXDJHTJSA-N 450.589 3.960 10 40 JHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1 3445512 SPLDCPHBPAUSPN-DEOSSOPVSA-N 470.529 3.930 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 12543778 KCCBVIOJOMXTOR-RUZDIDTESA-N 463.465 3.612 10 40 JHCB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1C 16267934 CONYCWGIAAZGJO-AQTBWJFISA-N 484.350 3.569 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223011412 PEOBQSBXFUJENU-FCHUYYIVSA-N 450.564 3.806 10 40 JHCB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 225868256 PSSOGMDIPXNZQM-RTWAWAEBSA-N 457.640 3.870 10 40 JHCB CC1CCN(C(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)CC1 409144818 LDPSNVSKWGSTLU-HZHRSRAPSA-N 484.556 3.562 10 40 JHCB CC(C)CN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2399475 WPJCUJSJIUFXSO-IZILLXMLSA-N 480.615 3.697 10 40 JHCB COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 8918601 KGSVEJBVASUCGS-KALPRAJFSA-N 465.509 3.652 10 40 JHCB biogenic COc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1 13504693 PRFMDYLOGMQXLJ-RUZDIDTESA-N 458.541 3.781 10 40 JHCB O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2c(O)ccc3ccncc23)CC1 24528356 CYIBNCXNXJJTQK-UHFFFAOYSA-N 496.814 3.863 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 41084025 RBFJDIFSSQSBNG-LPNCCNKHSA-N 498.586 3.847 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(C)cc3)CC2)cc1 67245967 IRKPMOVZXGAYJL-UHFFFAOYSA-N 471.604 3.828 10 40 JHCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409101977 CEUJCJVLAMMHRL-JCMHNJIXSA-N 481.574 3.905 10 40 JHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 409196508 ZWLNANNAKLGLCU-PBSOMRJOSA-N 482.290 3.716 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409245396 SEHSXBRBLBZMMK-GHRIWEEISA-N 477.429 3.929 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1 2082221 IKXPSVQUGPPCAL-RGEXLXHISA-N 452.898 3.545 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N/c3cc4ccccc4c(C(=O)O)c3O)cc2)[C@H]1C 6143515 CJIQAHORJBZHAW-KTLSJUBGSA-N 470.507 3.823 10 40 JHCB CC(=O)N1c2ccc(N/N=N/c3ccc4c(c3)N(C(C)=O)[C@@H](C)CC(=O)N4)cc2NC(=O)C[C@@H]1C 36489957 NWOLDKRVJJVOTB-KBPBESRZSA-N 477.525 3.965 10 40 JHCB COc1ccccc1OCCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O 41085121 WCVXYJMVRCLTPP-KBWVGNHGSA-N 478.578 3.638 10 40 JHCB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 48367815 SBWJQNZNMGNKNQ-XXBNENTESA-N 463.603 3.803 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 225472856 XGLPJIXRQLAUAP-FQEVSTJZSA-N 455.624 3.640 10 40 JHCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 1203774 GCQXWUMOMUZAPF-NTUHNPAUSA-N 476.239 3.881 10 40 JHCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 8867835 RRTZKAOCGYQLDC-WEHZRUJJSA-N 466.519 3.801 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccco1 13770194 PSLOWURRLKTURM-WTZVULCFSA-N 473.470 3.570 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 59139551 BLZUSOALLBVHLC-UHFFFAOYSA-N 493.354 3.775 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 59248077 UBQZKMNOJCGVSI-NTEUORMPSA-N 464.703 3.962 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 408899647 PRLNETFZZPCMIO-HYARGMPZSA-N 499.523 3.996 10 40 JHCB CCCN1C(=O)/C(=C\c2ccc(O)c(I)c2)C(=O)N(c2ccccc2)C1=S 409022158 GYQQOJHZCWAIEY-RVDMUPIBSA-N 492.338 3.951 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1C 409074297 PSQVDIAKJOQHPB-JCMHNJIXSA-N 476.510 3.738 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c1 409171532 DDDCDKXVZFTSMH-XSFVSMFZSA-N 489.553 3.721 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 8819548 ZEOFXVIXZONUQB-AQTBWJFISA-N 484.555 3.792 10 40 JHCB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 12498216 DBICFSMPMVVPEJ-IMBSWCNGSA-N 491.588 3.507 10 40 JHCB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 13668415 ABTHKHNXGQCGLL-QGZVFWFLSA-N 480.030 3.810 10 40 JHCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 16362857 OGJNPHQIUCRGAG-QGOAFFKASA-N 453.549 3.971 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CC(=O)N3CCCc4ccccc43)C2=O)cc(OC)c1OC 16770013 OIODOQQDJGFPAD-DEDYPNTBSA-N 484.599 3.893 10 40 JHCB COc1ccc(C(=O)[C@@H]2C3(C(=O)c4ccccc4C3=O)N3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 20410693 JQYCMTTZYLBTFV-PEGYQXGSSA-N 492.531 3.680 10 40 JHCB biogenic Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 409255568 IAJOIJVGQQNVKM-JCMHNJIXSA-N 471.538 3.844 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)cc1 4732629 RENFGOBSKUKSAS-UHFFFAOYSA-N 457.577 3.520 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nncn2-c2ccccc2F)cc1 12589858 GFTFFHJJIBZKEE-FQEVSTJZSA-N 469.586 3.772 10 40 JHCB CS(=O)(=O)Nc1c(Oc2ccccc2)c(N2CCCC2)c(O)c2c1C(=O)c1ccccc1C2=O 15080972 VUFOFBNEZWFMOF-UHFFFAOYSA-N 478.526 3.932 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 22757845 ICFSGODBETXKSV-HJOGWXRNSA-N 497.503 3.707 10 40 JHCB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 225045535 AWGICEOTMBIAGE-SFHVURJKSA-N 461.653 3.897 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4nc5ccccc5[nH]4)cc3)C(=O)NC2=S)cc1 408758918 USFCUSPFXJQDCR-ZHZULCJRSA-N 484.537 3.982 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408810573 PKZFLNZZZMWFHS-FYJGNVAPSA-N 459.414 3.546 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O 409238576 AYFQNYKGYMDGMT-RCCKNPSSSA-N 487.512 3.946 10 40 JHCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 10232853 UPNLOXOBALSPNE-ZHZULCJRSA-N 489.575 3.787 10 40 JHCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 13616227 KTCHYVIBOHSNBC-HYARGMPZSA-N 459.527 3.851 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 41077677 USJZJPMFEPHGCO-PLLOTBJKSA-N 477.571 3.869 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 41084388 YPWVPGDFFXVEIQ-QAPXJYDZSA-N 468.970 3.656 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N1 408767006 UTFVRSMRZJSXGC-UHFFFAOYSA-N 480.112 3.540 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409005775 VRYLIGRYIGLENP-KGENOOAVSA-N 485.496 3.688 10 40 JHCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(OC)cc3)CC2)cc1 90485758 JGDDNIGCAFQWJI-RUZDIDTESA-N 489.572 3.726 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223673633 ZQAVNNPIDFLVCY-BJKOFHAPSA-N 492.601 3.811 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223674080 FSEVPDMCGXRAKF-BJKOFHAPSA-N 492.601 3.811 10 40 JHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] 409029462 ACNRYQJNIDPCMX-GXDHUFHOSA-N 495.408 3.848 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=O)N=C2S1 41077832 XZIZQDBJJVZUAQ-YXZMWACZSA-N 492.941 3.679 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCCC(C)C 96193350 FFMJFTBDXOSTFP-MOSHPQCFSA-N 457.552 3.574 10 40 JHCB CCOc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1O 96220977 LIZHILMORZLAAM-CYBMUJFWSA-N 492.436 3.828 10 40 JHCB biogenic Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(=O)O)c1 223270498 RMVUYLMGHRMRDJ-XZOQPEGZSA-N 463.607 3.721 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408789401 PTQCGBOVJLVTMH-ODLFYWEKSA-N 453.491 3.594 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 408811019 NFZXCYVWWDSKTC-KGENOOAVSA-N 486.480 3.727 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(I)c2)C1=O 409243387 WAIHJNCOAYFXKJ-YRNVUSSQSA-N 482.661 3.625 10 40 JHCB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2O)n1 655361 MATQYOWSMMPEIR-GOSISDBHSA-N 465.466 3.526 10 40 JHCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1N1CCOCC1 12414287 JJZCVEHUZIWEOV-MHWRWJLKSA-N 451.913 3.957 10 40 JHCB O=C1C[C@H](N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(F)cc1 97574771 SSNBKXTVRXTIGT-WENWWWKYSA-N 451.504 3.840 10 40 JHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)C[C@H]1c1ccccc1OC 257300513 RUOQFZRLBGHRBB-QHCPKHFHSA-N 451.567 3.740 10 40 JHCB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(-c2cccnc2)c1C 409057879 LQCGXXCQJJKLSM-XKZIYDEJSA-N 476.558 3.645 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCO5)C3=O)c2C)cc1 9128394 HJVWCKGSIVGFMF-MHZLTWQESA-N 473.529 3.824 10 40 JHCB O=C(CSc1nnnn1-c1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12604394 AJOMXJNTNDLCRA-UHFFFAOYSA-N 475.917 3.822 10 40 JHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nncn2-c2ccccc2)cc1 12633100 AABGDSHWHCADHA-QFIPXVFZSA-N 451.596 3.633 10 40 JHCB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1ccc2c(c1)OC(F)(F)O2 13100793 PCLJSWVXEZUKDD-UHFFFAOYSA-N 467.380 3.869 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1 13504692 PRFMDYLOGMQXLJ-VWLOTQADSA-N 458.541 3.781 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 59139181 IGSLAYRCQNZMTG-UHFFFAOYSA-N 475.364 3.635 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)cc1 408848756 TUGDOMGWKMPPML-LFIBNONCSA-N 458.312 3.871 10 40 JHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 4552109 PZTNURQIDVAMBH-FDFHNCONSA-N 482.448 3.598 10 40 JHCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc(Br)cc1 8700791 CYICKQFBMNBUCS-ZROIWOOFSA-N 459.350 3.872 10 40 JHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 41082429 DMQHFHBGDOUQPG-OTUXIWBJSA-N 463.490 3.920 10 40 JHCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1 96221399 GQXQZIDRMPJSMT-CQSZACIVSA-N 492.436 3.741 10 40 JHCB biogenic COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1 408776956 TWCUSXLLZNMSKU-UNOMPAQXSA-N 486.318 3.878 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 408785345 YPKGRTUTCFMQDD-HYARGMPZSA-N 472.453 3.639 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 16914097 KWGFHDUABZVSEO-MHZLTWQESA-N 458.606 3.811 10 40 JHCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccc(Br)cc23)C(=O)N(C)C1=O 59087257 BQAMJKSGZFQEPC-UHFFFAOYSA-N 482.334 3.917 10 40 JHCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 59249488 ZSAOSTRPSZVYES-VZUCSPMQSA-N 469.664 3.777 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1 409100979 XOALQKLMISVIBY-OEAKJJBVSA-N 486.528 3.721 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223690207 RQCZYYHVUIDCRI-DHIUTWEWSA-N 450.564 3.730 10 40 JHCB COc1ccccc1N(CCCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O 260767863 POSJZNVBYWDHGE-FQEVSTJZSA-N 473.639 3.794 10 40 JHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 408535525 TULNCMUZCCLLET-PTNGSMBKSA-N 454.328 3.666 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)c1C 409216726 KUQOBEJQFIBYEH-KGENOOAVSA-N 472.570 3.937 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 409264548 MBMHHEOGKMGANW-QNGOZBTKSA-N 469.497 3.987 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2076521 UZMADHPCAQGOQN-HAHDFKILSA-N 499.523 3.720 10 40 JHCB COCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 16805835 GUVGJYYDSLKDGR-RGEXLXHISA-N 480.615 3.505 10 40 JHCB CC(C)c1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 20206197 NJPVBFCVIMJYTH-FIUAZEGQSA-N 496.570 3.650 10 40 JHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)c1 408859478 XZFWQSOWNWRKNV-MHWRWJLKSA-N 458.312 3.926 10 40 JHCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Br)cc3C)C1=O)OCO2 409100849 XBKKYPHBWJETCK-AUWJEWJLSA-N 489.347 3.716 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)N3CCCC3)c12 409149030 WCJXDRCVQFHJPS-UYRXBGFRSA-N 457.621 3.674 10 40 JHCB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 1480729 XUIAEMSBVNRREY-PWDRBQJJSA-N 472.636 3.720 10 40 JHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1 8870092 YPCFGHIVBCIUKX-BCVDLATCSA-N 493.610 3.880 10 40 JHCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC 27020411 GCWXKLDKJAWJFA-JCMHNJIXSA-N 476.558 3.859 10 40 JHCB O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)cc1 104797061 IQVRBCNSCGWSPD-LDADJPATSA-N 477.373 3.574 10 40 JHCB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408582636 DXBIBPRMOCPWKR-UHFFFAOYSA-N 459.907 3.924 10 40 JHCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OCC(=O)O 409202322 RPGSAHWOPRAOHF-IUXPMGMMSA-N 459.501 3.683 10 40 JHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409391781 JTXFTZCHHKGOFM-FYJGNVAPSA-N 467.441 3.659 10 40 JHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1Cl 13008127 NDDMUVHWECNQTP-HSZRJFAPSA-N 455.002 3.923 10 40 JHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 408537250 ZSXMTALAZWVZNC-WJDWOHSUSA-N 468.355 3.975 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 6177787 OBQCJLUGLIAALN-FYJGNVAPSA-N 461.449 3.686 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 8926097 OXUIUSNSOPMBHV-XPWALMASSA-N 467.477 3.699 10 40 JHCB COc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 13689306 WAXSRZRRMUWAEJ-NDENLUEZSA-N 485.452 3.587 10 40 JHCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 41085228 GUGKSKZPXCBETM-ATNGQLTKSA-N 487.519 3.502 10 40 JHCB COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCC[C@H](C(=O)O)C4)c(O)ccc3c2=O)cc1 94993358 YTZUOLNTWPMTNW-INIZCTEOSA-N 467.474 3.683 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)cc1 408994270 YVODHWIOUJLAQR-QGOAFFKASA-N 488.554 3.546 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409203526 XRCWWJAVRSYCDC-OEAKJJBVSA-N 475.524 3.831 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(F)cc1 3340605 VPGQCTZJUOGWNR-VWLOTQADSA-N 463.465 3.612 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(C)cc1 20206002 SJPXDPWVPUGUHF-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 41085236 PZDUHTVQFBRDFH-ATNGQLTKSA-N 487.519 3.502 10 40 JHCB COc1ccc(S(=O)(=O)Oc2ccc(-n3c(C)cc(C(=S)N4CCOCC4)c3C)cc2)cc1 2142426 RBJOWSCMWFLXMZ-UHFFFAOYSA-N 486.615 3.878 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9644901 MKTVIJJPXCWMHP-SANMLTNESA-N 491.569 3.893 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3CCc3ccccc3)CC2)cc1 13505511 AXHWOMRTCAQXIO-MHZLTWQESA-N 484.604 3.845 10 40 JHCB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 19123472 FDPJCBRSKYRRQF-SFTDATJTSA-N 495.620 3.736 10 40 JHCB CNC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 40030830 JLRZOSKPONFQCV-HXUWFJFHSA-N 450.564 3.820 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc2ccccc2c1 41077906 CCUMBYXWIJDSQS-PLLOTBJKSA-N 477.571 3.869 10 40 JHCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1 41084352 GXIQPBBNDDIVAQ-OEMPCWLZSA-N 462.579 3.565 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223690112 RQCZYYHVUIDCRI-PKTZIBPZSA-N 450.564 3.730 10 40 JHCB COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 9193096 GPSBPCRAJCYULB-VXNXHJTFSA-N 488.500 3.721 10 40 JHCB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NCCN1C(=O)CSC1=S 13146427 VPDWZHZJPUKHSB-UHFFFAOYSA-N 482.505 3.506 10 40 JHCB CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 15831158 PHIKQQLAJVKJIP-OAQYLSRUSA-N 482.602 3.777 10 40 JHCB CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33525538 DWHKOOMJXMCHQI-ZENNRRHLSA-N 493.741 3.894 10 40 JHCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 110422944 QJKYZRAMHOUGJX-QGMBQPNBSA-N 472.588 3.599 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409141723 JVZCNICAJDGQGF-JLHYYAGUSA-N 480.348 3.800 10 40 JHCB COc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)C(O)=NC2=S)c1 634770 FTQTWTIFUZPEDJ-FYJGNVAPSA-N 488.569 3.944 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S 6288650 JYVAAINHIGYNBI-XDHOZWIPSA-N 453.951 3.616 10 40 JHCB CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007934 XCAGSADEKNZLTL-QHCPKHFHSA-N 452.624 3.683 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 41074179 XYXFZSYUVTXECV-CHHVJCJISA-N 481.804 3.903 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)cc3OC)C2=O)cc1 408986169 LZNQPARHRKITOA-DHDCSXOGSA-N 459.296 3.695 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)o2)cc1 409169767 ZLHMIJYCGHADDC-NBVRZTHBSA-N 476.510 3.963 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 8738674 IKJZOSHZSFGXNE-AMJATDPZSA-N 498.674 3.865 10 40 JHCB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13109940 MGLIGAARPHLSHI-UHFFFAOYSA-N 464.861 3.502 10 40 JHCB NC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)c2ccccc2O1 13986147 HKHBGVPPJWJPLA-GNNUASRNSA-N 470.554 3.953 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 20450974 VRIRPGYKHGUQHW-UHFFFAOYSA-N 476.042 3.798 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCCCC5)CC2)cc1 21882523 ROCZELTXIYECCX-UHFFFAOYSA-N 466.607 3.544 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccccc1 408533706 KMXUFQJYSIOXDR-XMHGGMMESA-N 456.454 3.889 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537980 YBQPXEWPBZWHHY-JXAWBTAJSA-N 460.417 3.720 10 40 JHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC 409362240 UMMXUWKRAZKJMS-BOPFTXTBSA-N 492.600 3.635 10 40 JHCB COc1ccc(N2CCC(O)(CN3[C@@H](c4ccccc4)C[C@@]4(C)[C@@H](O)[C@@H](O)CCC[C@@H]34)CC2)cc1 2037956996 PIGZADFSUOIIFZ-YTZCDUBRSA-N 480.649 3.754 10 40 JHCB COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(N)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O 8652877 CVYPFSWTHXCTKR-LVEBQJTPSA-N 490.512 3.808 10 40 JHCB COc1ccc(CC2=NN3C(=N)/C(=C/c4cc(OC)c(OC)c(OC)c4)C(=O)N=C3S2)cc1OC 8769470 DQUCMIPCBNNKCQ-TUJVJTEOSA-N 496.545 3.591 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)N1CCCC1 8816242 YBNPVPVSHGRHIF-KGENOOAVSA-N 456.502 3.766 10 40 JHCB COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 13124096 UTFFNPRAWIPHBA-UYRXBGFRSA-N 488.587 3.951 10 40 JHCB COCCN1C(=O)/C(=C(/C)c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 51347629 WENBLJGGZHCNER-OVNPUMINSA-N 486.663 3.723 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 108990059 FKHWKFVBMUJQKD-NDENLUEZSA-N 475.457 3.652 10 40 JHCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1C 214698301 SBCGDLGXHYQBOI-FYJGNVAPSA-N 453.564 3.606 10 40 JHCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3)c2=O)=N1 409036445 RINRODKUTFKYQL-IAAPFODBSA-N 475.614 3.645 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 9934790 RDEVZFDSJVMGGB-XSFVSMFZSA-N 473.485 3.857 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 16914800 ZHOKQGUNBNIPBQ-SANMLTNESA-N 465.619 3.839 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 205804178 DJZJSFWDEMAOAC-DEDYPNTBSA-N 467.547 3.841 10 40 JHCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 223216777 KXUQXXOQCBKSIP-IBGZPJMESA-N 459.612 3.575 10 40 JHCB COc1ccc(N(CCCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 224383108 HAVWWMDTROSKJJ-HXUWFJFHSA-N 473.639 3.794 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OC 408801267 UNQPTRIULRWZCS-YRNVUSSQSA-N 465.687 3.786 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1ccccc1Cl 408873685 UUCCNTUUYUZEMV-UHFFFAOYSA-N 465.756 3.616 10 40 JHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409003387 ZVJRTLYSBQHNEJ-ODLFYWEKSA-N 490.432 3.810 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 409022902 VPLLQPZYIDUYAN-VXLYETTFSA-N 494.504 3.981 10 40 JHCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)N1CCOCC1 409217585 QJUXBCPGJOJOAK-STZFKDTASA-N 484.599 3.647 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409266074 OKCVQMWFTWLXKR-PXLXIMEGSA-N 499.523 3.996 10 40 JHCB Cc1oc2c(CN3CCC[C@@H]3C(=O)O)c(O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 12657374 OLGWJMXQAJFNQU-GOSISDBHSA-N 451.475 3.684 10 40 JHCB biogenic O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(/N=N/c2ccccc2)cc1 14735565 SMVIBRJFJRYLRK-OCEACIFDSA-N 465.535 3.687 10 40 JHCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)c2c1 16695013 JMWOWFJFYAFXMT-UHFFFAOYSA-N 497.436 3.885 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1C 20205993 FMYWHZPLEYYEBP-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB COc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c1 41084587 UCTXNQUDYWGMLL-HTWVIFJXSA-N 492.605 3.884 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S 409247766 NTAGYSIWQLMTNG-YBFXNURJSA-N 459.527 3.963 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 9064484 OABHTKFMVBIVSF-IZZDOVSWSA-N 468.579 3.963 10 40 JHCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9360685 LLRGWUDKHJMHDY-VFHVDCSJSA-N 491.529 3.667 10 40 JHCB C[C@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 16805872 RPWGAUKTVTUSFG-NWRYFCBHSA-N 487.006 3.542 10 40 JHCB O=C(CC(=O)N1N=C(c2ccccc2)[C@H](/N=N\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 104276011 CTRQZCVKJVXKSW-BMJHRBPQSA-N 487.447 3.778 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1 223138246 UABQPNIMYSMTFK-DQEYMECFSA-N 461.635 3.794 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223636353 TWBNWXMYGKKATD-PKTZIBPZSA-N 464.591 3.631 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223691144 JCAWVJAYVBPUPH-PKTZIBPZSA-N 478.574 3.723 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cc3Cl)C2=O)cc1 408532069 PNQQBZLTJNHUDK-LCYFTJDESA-N 450.676 3.690 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)c(C)c1 408803177 MBKWMJBMASZYRK-UHFFFAOYSA-N 473.323 3.793 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409191730 LUGSSHYUPKAHAN-MHWRWJLKSA-N 496.884 3.828 10 40 JHCB COc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1Br 33395552 QYEQYTVVHHSEEA-MDWZMJQESA-N 499.102 3.524 10 40 JHCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(=O)Nc1ccc(Cl)cc1 104124056 QBYVQVCDJSUMGT-SVPNMLMASA-N 486.941 3.919 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@@H]23)cc1 169694385 YZLMQFDOSNTTNR-WXFUMESZSA-N 465.505 3.728 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)cc1 408740135 IRHXWWHSDAKINI-WUXMJOGZSA-N 496.111 3.592 10 40 JHCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c1 409196313 YVQLMGVQGVFHQL-FYJGNVAPSA-N 459.527 3.932 10 40 JHCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc2c(c1)OCO2 409335118 YWLIWUUWNDQYAD-GRSHGNNSSA-N 471.516 3.566 10 40 JHCB CN(C)CCCNc1cc(N2CCN(c3ccccc3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9410816 AHEANGQHEAWRQC-UHFFFAOYSA-N 483.616 3.734 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)CCOc3ccc(C(C)(C)C)cc3)CC2)cc1 12522737 XTFJOGRLGNHHKB-UHFFFAOYSA-N 454.567 3.654 10 40 JHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 12563912 HRDWJBWZSCQGGL-OAQYLSRUSA-N 451.596 3.838 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc(I)c1O 38176434 FEXGRDNCEPDWCE-SDQBBNPISA-N 498.273 3.816 10 40 JHCB CCOc1ccc(NC(=O)[C@@H](/N=N\c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)C(C)=O)cc1 104124100 PIKIFWJDHRSERU-ZUSALWDXSA-N 496.549 3.665 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 169687534 YOZRGPRGGUCZAB-YPAWHYETSA-N 482.448 3.598 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)C1 260905698 RSKAUUYXGZKVRE-PZJWPPBQSA-N 473.614 3.779 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1Cl 408531192 MLOZGGIKMSJJGW-IDUWFGFVSA-N 490.950 3.853 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409249100 SCQFFXGZAVIZGZ-HYARGMPZSA-N 450.514 3.910 10 40 JHCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 409269530 KAUSPDDFKLIWGJ-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C(=O)NC1=S 8451758 FSVXGZZSDNORQO-SFQUDFHCSA-N 465.918 3.969 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)CC2)cc1 9553370 MUGHYTZBUWJAPT-UHFFFAOYSA-N 479.602 3.548 10 40 JHCB Cc1cc(/C=C/C(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccc2c(c1)OCO2 9714426 AYIGFPRVCLBFDP-VMPITWQZSA-N 463.559 3.882 10 40 JHCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 408805707 CCZNCRKTYYPKKX-MHWRWJLKSA-N 489.322 3.922 10 40 JHCB Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])s1 408990633 LFCWFIVZUUQDGO-NTEUORMPSA-N 467.488 3.572 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 409070014 KJAOSGSOEVVMLH-GZTJUZNOSA-N 481.961 3.998 10 40 JHCB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)nc2n1 3345802 MQQXGYAARXOFCO-UHFFFAOYSA-N 482.338 3.951 10 40 JHCB Cc1cc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)ccc1I 9259192 CRVLWASJZNYVJI-UHFFFAOYSA-N 493.370 3.606 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1C)OC21C(=O)c2ccccc2C1=O 101099765 VCSFDLJBNIZNML-DNVJHFABSA-N 467.477 3.699 10 40 JHCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CC[C@@H](c5ccccc5)C4)c3=O)CC2)cc1 101412871 PJGXFBRLOOWTGJ-JOCHJYFZSA-N 475.589 3.666 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223274918 RANDLQAQXISUTK-BJKOFHAPSA-N 494.621 3.940 10 40 JHCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408532252 MERWHLCRZMBVJO-FXBPSFAMSA-N 496.571 3.585 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408854201 ZOFZACZGJOBOFP-ZROIWOOFSA-N 481.804 3.903 10 40 JHCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 409048037 QNNVJLLAGFSAKI-KGENOOAVSA-N 473.460 3.818 10 40 JHCB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 4673678 PEKNYHFGWDHPAH-HUHIGAQKSA-N 452.517 3.804 10 40 JHCB COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 8918575 OSDYQSLUUNTVAC-KALPRAJFSA-N 465.509 3.652 10 40 JHCB biogenic COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl 9311085 SDMWTRQROZAGOP-NTUHNPAUSA-N 451.729 3.942 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 18249737 JLYNNJFGIDTPQX-BHIFYINESA-N 455.441 3.829 10 40 JHCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 59678886 YEERQVTTZBTHPA-CEITULEQSA-N 465.314 3.677 10 40 JHCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1 103591546 ORNVBLLVKZWKSL-JRRXTTBFSA-N 490.589 3.734 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)C(=O)NC2=S)cc1 108254165 RLFCHGVRZDBUAY-LFIBNONCSA-N 462.312 3.685 10 40 JHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542275 IPFVXABQBAKCDR-GZTJUZNOSA-N 489.484 3.951 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OC 408854695 BJLOZTCRLYZMIV-YRNVUSSQSA-N 467.330 3.851 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)C 409404548 DQELWZYUKVUFLP-DHDCSXOGSA-N 478.286 3.548 10 40 JHCB COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1OCC(=O)O 9189242 MRNGNHLXBNHGMZ-NDENLUEZSA-N 487.965 3.605 10 40 JHCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 13614766 WFLWOVGGJGLYIB-FSSWDIPSSA-N 471.440 3.529 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)c1 408853852 YKQCDAOYGZYZAF-VGOFMYFVSA-N 458.854 3.533 10 40 JHCB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)NC1=S 408913734 NJKBLHRVLGLOPV-MDWZMJQESA-N 465.756 3.938 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 9158997 QUAMPXYUQSRLDM-LGMDPLHJSA-N 453.545 3.643 10 40 JHCB COc1ccc(N2CCN(C(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)CC2)cc1 9871482 FWWYNDVIRSDQII-UHFFFAOYSA-N 466.588 3.544 10 40 JHCB C#CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 33668584 CNHWVHUBMNHSFF-UVTDQMKNSA-N 461.699 3.585 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 41077685 KUPODZSKSJDRLS-CDLVGDAQSA-N 479.946 3.508 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(N3CCCC3)o2)C1=O 59247926 WYJATSPEYIBCAQ-RVDMUPIBSA-N 458.312 3.871 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 100872116 OFTPMALALOFSGC-ONKYZEBYSA-N 492.578 3.953 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc([N+](=O)[O-])c1O 110422659 IWBXIDKBESDDOV-REZTVBANSA-N 489.575 3.758 10 40 JHCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C1=O 409132952 YRNJCXMYWFHUTA-NDENLUEZSA-N 456.524 3.895 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1 9323845 RFMVSHFCMYFNLC-VIZOYTHASA-N 470.279 3.614 10 40 JHCB COc1ccc(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9408755 FXAIMPPUQMOFQV-DHIUTWEWSA-N 464.031 3.760 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)c2C)cc1F 12557500 TUVVAVCGSRHPCK-LJQANCHMSA-N 499.612 3.705 10 40 JHCB CCC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 13505546 SFAQJWPFDIHJOH-QHCPKHFHSA-N 480.613 3.605 10 40 JHCB CCOc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1O 15162673 GRWVCSCYMBUFDZ-AWNIVKPZSA-N 484.677 3.510 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=N)N21 20207126 MMLCMILVWZZHGF-FIUAZEGQSA-N 496.570 3.553 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)cc3)CC2)cc1 49001714 HWBTZGIHRAIUEV-UHFFFAOYSA-N 475.567 3.659 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1 95471531 IGSSZDDTHIDVLV-RGEXLXHISA-N 452.898 3.545 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1ccccc1Br 408878166 XHLBCXZXBIZXDJ-UHFFFAOYSA-N 463.715 3.841 10 40 JHCB O=C(O)CCN1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 409099742 TVTCPAGRBHMMIY-CXUHLZMHSA-N 475.460 3.971 10 40 JHCB Cc1cc(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c(C)n1-c1ccc2c(c1)OCO2 8724461 YDSVEJMVEZARPU-UHFFFAOYSA-N 497.602 3.955 10 40 JHCB CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c1 41084931 LRYMRHFQJAEOMU-MGTNDIQKSA-N 463.519 3.796 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101130258 ATTNVRVIUGFYAF-BHDDXSALSA-N 482.448 3.598 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 101342740 HHSCJNGFGUWKRA-QPXUXIHVSA-N 472.541 3.903 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 101484043 YGYAITKGVIYKEA-ZRBLBEILSA-N 496.475 3.907 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223034370 JUJMSMYSTOBPNK-GOTSBHOMSA-N 464.591 3.895 10 40 JHCB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 225275087 LPBMYIIQVANIQG-KRWDZBQOSA-N 450.004 3.828 10 40 JHCB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 9118686 ZXGVQXWLWOMBNF-AREMUKBSSA-N 459.502 3.863 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 9323157 DCOLBYPUVMAHOM-XGICHPGQSA-N 494.095 3.607 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Cl)Nc1ccccc1 408693873 ADYVVZBRZGYECB-LDADJPATSA-N 467.909 3.762 10 40 JHCB C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 1282015 RZHZCDAPUAIOOC-WHBPPDGWSA-N 458.948 3.931 10 40 JHCB CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 14269019 AVAFBXSPVDOQSB-UHFFFAOYSA-N 472.567 3.619 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1F 33617295 HRFWKFMLRCQYPB-ZHZULCJRSA-N 454.461 3.881 10 40 JHCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(Cl)c(Cl)c4)n3)CC2)cc1 54253532 DDXNFKYLOKYKCV-UHFFFAOYSA-N 460.369 3.835 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)C(=O)N1 408801098 SUABTAJFXGFSHI-UHFFFAOYSA-N 480.112 3.540 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1OC 409141487 KANNPOHPCLVGEV-CPNJWEJPSA-N 482.533 3.943 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505485 KANWDRCRZKBKQK-NDEPHWFRSA-N 497.647 3.902 10 40 JHCB O=C(COc1ccccc1S(=O)(=O)C(F)(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 62595019 MCLJYNNYPDLSFY-UHFFFAOYSA-N 489.427 3.773 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 104090808 LSCJCAMSAXFPGW-RGCCPRADSA-N 463.523 3.769 10 40 JHCB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260837013 COMFMUNMYVDITF-CYFREDJKSA-N 473.639 3.793 10 40 JHCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Br)cc1 408959893 HMXVVNULAZMDMS-UYRXBGFRSA-N 469.339 3.581 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1 409071480 ROVYSDAQAJTYED-CJLVFECKSA-N 492.509 3.519 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1N1CCOCC1 409096140 FNGPLXUHLXYRPM-NTCAYCPXSA-N 460.317 3.805 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 2404099 WKTXWPNXJGTXFN-QPXUXIHVSA-N 488.540 3.626 10 40 JHCB CC(=O)Nc1ccc(OCCn2c(C)c(/C=C3/C(=O)NC(=O)N=C3O)c3cc(C)ccc32)cc1 20235126 IELMJUUETXDJSA-UHFFFAOYSA-N 460.490 3.885 10 40 JHCB Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 26786870 OJKZSEKRGXXXDI-UHFFFAOYSA-N 482.923 3.896 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30848345 RKYIVBFUEHDUJP-XMMPIXPASA-N 469.651 3.578 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 41108594 KWRXBAIDAWZRLA-ATVHPVEESA-N 494.572 3.982 10 40 JHCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1O 58865758 NPXPAKTXJNZAFH-UHFFFAOYSA-N 458.248 3.539 10 40 JHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223034430 JUJMSMYSTOBPNK-PKTZIBPZSA-N 464.591 3.895 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1 408897151 WHFBFSOZGLYHTE-UHFFFAOYSA-N 481.327 3.736 10 40 JHCB CC[C@@H](C)[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524512 JEMXXGADCPKTBD-YXLNAYJUSA-N 474.605 3.702 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(F)cc1 3340606 VPGQCTZJUOGWNR-RUZDIDTESA-N 463.465 3.612 10 40 JHCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 25784826 WYDUPMJEJGLJRZ-SANMLTNESA-N 465.619 3.845 10 40 JHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 95544263 JAFDXWVQNKUNSI-VABKMULXSA-N 457.486 3.502 10 40 JHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)SC1=S 256055472 IALMLFMQUBNHOE-QIYXJHPLSA-N 469.588 3.933 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 408800346 OEJKSHGPKDNDGJ-CXUHLZMHSA-N 472.881 3.589 10 40 JHCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 1172489 FRRIDELYYITOOI-ZHZULCJRSA-N 479.334 3.972 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)c1 2116771 QVJPBNYOHAIKAX-STZFKDTASA-N 451.548 3.815 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCc3ccccc32)cc1 10188436 KKAXZZCHSODUCY-XMMPIXPASA-N 473.533 3.520 10 40 JHCB CC(C)(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 35152536 YLJIXXRUEWQVRU-GDNBJRDFSA-N 460.284 3.996 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 71835163 IPCSBIPBYFHODA-LOSJGSFVSA-N 472.589 3.909 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 95351626 QXBFNCLYLHXWGK-XPWALMASSA-N 451.478 3.999 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccc1Br 96936839 RQSQVTSUQIMITM-YVLHZVERSA-N 491.388 3.809 10 40 JHCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c3ccccc32)cc1 409229238 LXWKZJYOSHOGQF-LPYMAVHISA-N 479.496 3.650 10 40 JHCB O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)N1CCOCC1 409347585 QHAOHDKHEUMXNG-UNOMPAQXSA-N 474.991 3.983 10 40 JHCB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 13040415 MNRFJBOYJHYSLM-UHFFFAOYSA-N 459.933 3.876 10 40 JHCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 20207456 VVAZHIKZFKLKIO-WPTKKBASSA-N 499.618 3.893 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)C2)cc1 260888428 ARTLEVJXMCFMRV-GGAORHGYSA-N 469.651 3.948 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C2=O)cc1 9265182 INJHASXSJPNZBN-LPYMAVHISA-N 486.528 3.941 10 40 JHCB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 19502000 DBICFSMPMVVPEJ-HXFQDRMMSA-N 491.588 3.507 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC 35087661 KZNGZRFKZVUMEU-WQLSENKSSA-N 482.128 3.690 10 40 JHCB O=C(O)COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96114737 BZLGGQNSJHEPJK-HNNXBMFYSA-N 474.421 3.776 10 40 JHCB biogenic O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408948793 GWQRFNZWYMXKBQ-OQLLNIDSSA-N 481.804 3.903 10 40 JHCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CSCc3cc(-c4cccs4)on3)cc2)C1 58244777 NZEFQBLZBGTVMC-KRWDZBQOSA-N 470.620 3.654 10 40 JHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1Cl 59485157 HYAOONZKBKYRFX-UHFFFAOYSA-N 481.755 3.604 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc(F)cc1Cl 95544962 HCSQZYQFXGJVGS-IUXPMGMMSA-N 464.927 3.839 10 40 JHCB CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O)=C\c1ccccc1 100901631 KRBIUBQLRKODFF-PHSQEECHSA-N 472.588 3.607 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)ccc1Br 408761229 DCQCJRVOSSLOAS-KPKJPENVSA-N 480.112 3.892 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1OCc1ccc(C(=O)O)cc1 409187427 QFQCEWUNWOHBFG-XSFVSMFZSA-N 486.480 3.947 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5cc(OC)ccc5n34)CC2)cc1 928522 HVEQZMAHXIXCTC-UHFFFAOYSA-N 477.590 3.649 10 40 JHCB CCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2331982 YDQXXLCSLPSLEJ-SSZFMOIBSA-N 460.650 3.557 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCC(=O)OC 9972509 DZYJFGHTJGIUIW-AUWJEWJLSA-N 460.371 3.621 10 40 JHCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F 11917074 ILERAJJMQQROFJ-HXUWFJFHSA-N 471.554 3.685 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18107122 WCCKDZFDMXUZSR-XPWALMASSA-N 467.477 3.699 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 20154814 RLHYPIZQQNBSDD-IQGAPNPZSA-N 482.543 3.863 10 40 JHCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)sc2n1 22520102 XWMZBXRTXWZYMV-UHFFFAOYSA-N 477.590 3.830 10 40 JHCB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1-c1ccccc1 22998043 LUXXEIPQPJWGFG-UHFFFAOYSA-N 475.545 3.707 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100415234 FUSHGSHDLUSJRB-FDFHNCONSA-N 455.441 3.829 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S 409143012 MOYCSLDEVWFCSW-BKUYFWCQSA-N 465.600 3.805 10 40 JHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC 409357793 RJDLSLMTKGRKEY-UNOMPAQXSA-N 460.577 3.983 10 40 JHCB CCc1ccc(S(=O)(=O)Nc2ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)cc1 6038772 LTLTWKRSZUZOMQ-GOSISDBHSA-N 473.469 3.922 10 40 JHCB Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)s1 8820029 YOSHWCBMVKHMFT-YBEGLDIGSA-N 476.605 3.976 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NCCCn3ccnc3)nc12 8858061 SOUVRHWBFBWBJH-RGEXLXHISA-N 494.646 3.845 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 9380075 OTUPGPFBNCLHOZ-UYRXBGFRSA-N 482.403 3.979 10 40 JHCB COC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)nc1C 12643050 FALXTAMOWROVMA-UHFFFAOYSA-N 457.493 3.674 10 40 JHCB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)sc2c1CCCC2 15441623 UPHUPTOYTHDJCK-UHFFFAOYSA-N 457.596 3.573 10 40 JHCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c([N+](=O)[O-])c1 223621891 JGEBSWFEZCVHLM-GOTSBHOMSA-N 481.578 3.761 10 40 JHCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 409186761 HOOIASAFNBCYPS-XNTDXEJSSA-N 477.300 3.990 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 409348641 OAVHDVLFELTELX-DEDYPNTBSA-N 494.554 3.999 10 40 JHCB N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 6157201 ABMHZJGQIJSKJT-RYEIUNSYSA-N 489.538 3.517 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1 9635022 LOYAXMWRJWFVFO-DEOSSOPVSA-N 498.539 3.708 10 40 JHCB CN1CCN([C@@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCN3C)CC1 22733702 DSYBGUXZZYEYLE-LJAQVGFWSA-N 468.645 3.993 10 40 JHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 59104823 QJPDXYHOJVULGM-AUWJEWJLSA-N 469.406 3.628 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1Cl 408806268 AXYXADXQFGVXEY-SFQUDFHCSA-N 456.882 3.972 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)cc1 408877631 WKPPBLMZXJOPRZ-RCCKNPSSSA-N 458.445 3.870 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 408887754 TTWYCBINKRBSTF-PXLXIMEGSA-N 476.510 3.738 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2309013 HWENAFYXPGFNEV-QKSFETHESA-N 489.641 3.988 10 40 JHCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 16694892 UPNLOXOBALSPNE-XSFVSMFZSA-N 489.575 3.787 10 40 JHCB O=C1/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 26840802 HKKUXEYLVYOQOS-HZGBGQKMSA-N 465.556 3.867 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3CC(C)C)CC2)cc1 51357430 KVPKKDOBAANBDP-UHFFFAOYSA-N 466.607 3.502 10 40 JHCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C(=O)N(C)C1=S 59139463 OGKJINZEZCYXIW-UHFFFAOYSA-N 479.341 3.869 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 102131099 HYYLXAPWWYFABG-ZRBLBEILSA-N 451.478 3.999 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OC(C)=O 408771948 LRDCUSKPQOKKJM-VGOFMYFVSA-N 493.697 3.703 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409226303 USUVFHLQAZEGJT-RCCKNPSSSA-N 455.470 3.679 10 40 JHCB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 8780311 XLILFRLONGUYIC-UHFFFAOYSA-N 464.396 3.742 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1I 9057221 KDSDTTNJBVMIGB-GXDHUFHOSA-N 476.270 3.665 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 16914791 IEOLJPNFCPBDSR-MHZLTWQESA-N 494.661 3.603 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 25056584 HNNNGUTXNMURHR-RUZDIDTESA-N 466.607 3.639 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 41083823 CIOHZXLOUDJFQL-ATKCCKKESA-N 475.983 3.759 10 40 JHCB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 223622376 MSNVFFCQPBESFB-ULJHMMPZSA-N 477.586 3.681 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccccc3)C2=O)cc1 408537526 VYQXFDDFBOMLAJ-MWDILFQUSA-N 468.465 3.980 10 40 JHCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(C)c(C)c2)C1=O 408539779 YXBFSSKKZYLQJM-GZTJUZNOSA-N 485.338 3.917 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)cc1C 408551951 PMTYKLYGYCGZEO-XNTDXEJSSA-N 462.312 3.739 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Br)o1 408740362 FVLIAUXGSNQRBY-YRNVUSSQSA-N 456.115 3.636 10 40 JHCB O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc(F)c2)C(=O)N1 409049956 YYQLEUSMSSTLFC-UHFFFAOYSA-N 498.102 3.679 10 40 JHCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 9806051 DFESKPRSKXVPCJ-ZMIGGIFCSA-N 498.608 3.841 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 11617264 XBWQFKZLHAGCDL-SFQUDFHCSA-N 452.517 3.798 10 40 JHCB Cc1cc(C(=O)[C@H](C)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 15403216 OCJFWEPAQMMPKY-SFHVURJKSA-N 455.509 3.879 10 40 JHCB Cc1ccc(Cn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1 20205871 DOGRCLTVEHAXGP-MHHBVAOCSA-N 477.571 3.619 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 33792376 YXFANLGOYXXKBK-ODLFYWEKSA-N 486.571 3.697 10 40 JHCB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OC)cc3OC)C(=O)NC2=S)cc1 107846104 FEHYWJTZLAFODP-OQLLNIDSSA-N 475.364 3.860 10 40 JHCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)C1 222917518 VYESRRZXBLMILY-SFHVURJKSA-N 453.608 3.701 10 40 JHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(I)c2)cc1 225269262 KRDJWHYHBARVOV-UHFFFAOYSA-N 474.364 3.625 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408692576 PQRQIGSVQMKHQB-WOJGMQOQSA-N 465.462 3.587 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Br 408879584 GYUGFZYWFWXJHI-UHFFFAOYSA-N 495.782 3.995 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 408920194 AUPJENFIKWAFSM-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1O)CC2=O 514287670 XFDIAKVFSBHPLU-HASJWJTPSA-N 491.632 3.722 10 40 JHCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nnc2n1 3220965 CAPFIJTYQYVWKT-UHFFFAOYSA-N 474.900 3.786 10 40 JHCB COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2cccs2)c1O 10233939 RIZNRUVOOAHJBR-GOSISDBHSA-N 471.560 3.825 10 40 JHCB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 13632478 DQBSPAHSDCWKFE-UHFFFAOYSA-N 471.623 3.790 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409220592 BVQHVDDSJNIVMX-MOSHPQCFSA-N 459.458 3.739 10 40 JHCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C 20207121 DVVBYSDOHRSUOZ-GQZSXMDHSA-N 499.618 3.750 10 40 JHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1I 408550654 ISFCZFGSRJCAJA-MDWZMJQESA-N 497.086 3.720 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408551229 MPWALXXZBCYJQP-YBFXNURJSA-N 454.508 3.661 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC(C)=O)cc3Br)C2=O)cc1 408981915 DQPWUUUEJKZPQA-SXGWCWSVSA-N 487.306 3.612 10 40 JHCB Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 409261736 DDIBYXWBSPGKNL-QNGOZBTKSA-N 455.470 3.679 10 40 JHCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)[nH]c2ccccc12 9281511 HJFVMIIGXOWQFD-STZFKDTASA-N 458.518 3.636 10 40 JHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1OC 33563261 SAOACDGSJWENBC-PDGQHHTCSA-N 453.491 3.988 10 40 JHCB O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(F)cc1 108983795 NPHJJVNEPFHSHI-FYJGNVAPSA-N 477.423 3.649 10 40 JHCB O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)N1CCOCC1 408574366 MBAMMZLXCQIQNN-UYRXBGFRSA-N 474.991 3.983 10 40 JHCB O=C(CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccccc1F 409217471 VTIWNYBGOGGUBW-ZDLGFXPLSA-N 483.839 3.969 10 40 JHCB COc1cc(/N=N/c2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)cc1N 4523128 JLVALQOIIVGPBD-QZQOTICOSA-N 451.482 3.648 10 40 JHCB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=S)N1 9539751 LZEBIADGEIWIMN-HXUWFJFHSA-N 476.524 3.974 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2C)cc1 13669245 BAVPKFKNOLEHRK-UHFFFAOYSA-N 479.602 3.871 10 40 JHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 95471485 MNPVNADRQNCJAS-FYJGNVAPSA-N 480.525 3.752 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223605005 QOOSGHYEXVIPGJ-UIOOFZCWSA-N 491.661 3.681 10 40 JHCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 225951453 WBGQIPGYGNFHIF-UHFFFAOYSA-N 451.644 3.764 10 40 JHCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408776992 SXXHKAXNDMFHCW-IQDKPADRSA-N 476.529 3.556 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409268731 YHZVXVLRSRCZMU-HMAPJEAMSA-N 499.523 3.996 10 40 JHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408960279 KPLOLNJHOPLEAI-QGOAFFKASA-N 456.365 3.881 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)cc1Cl 409245508 UWDMKVAANDUMBC-LZYBPNLTSA-N 453.907 3.519 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 658448 NGYQSMLTNVWJSM-STZFKDTASA-N 489.528 3.983 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 20141158 ZNZUODPKZHQOOI-VWLOTQADSA-N 458.541 3.781 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc([N+](=O)[O-])cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23157675 HXIALFZZJGUTCF-FQEVSTJZSA-N 480.550 3.633 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 408773673 IQSLSKPECWNOAJ-DEDYPNTBSA-N 474.429 3.847 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408869338 BYYHQYIMQAYCKM-LICLKQGHSA-N 490.297 3.973 10 40 JHCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 408956086 VXIXXNMCTRXSBR-NYYWCZLTSA-N 479.670 3.506 10 40 JHCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)o1 409393654 RWENXUCZLASRPE-DEDYPNTBSA-N 469.453 3.736 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCC3)ccc21 9135611 FLTVJWIXGLIDHF-JOCHJYFZSA-N 474.527 3.980 10 40 JHCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3CCc3ccc(OC)c(OC)c3)CC2)cc1 13505584 YWGFQXIXBSMBAH-XMMPIXPASA-N 494.640 3.851 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cccc(C)c1 13661103 HYIQAHNNTPBWEZ-STZFKDTASA-N 476.485 3.716 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 27016480 VVJABWDNAGICIY-RWHSFIEVSA-N 496.614 3.611 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)C(=O)N=C2S1 41077827 WSDGKSKSLVMCKS-UJADIJFVSA-N 474.951 3.540 10 40 JHCB CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408899716 QAQYKDPKYBVHTR-YBEGLDIGSA-N 459.296 3.831 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC 409022811 GBHWUIIXUMYLTO-VGOFMYFVSA-N 479.327 3.827 10 40 JHCB CCc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CN4CCOCC4)n3C)c2C)cc1 12859944 HOCWROQBWWUHPZ-UHFFFAOYSA-N 453.612 3.592 10 40 JHCB COc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 13669698 AULQKMSLYOXPNF-QGZVFWFLSA-N 480.030 3.810 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223290660 YAKMNVBRDUKVOJ-RPWUZVMVSA-N 477.634 3.810 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223636301 TWBNWXMYGKKATD-DHIUTWEWSA-N 464.591 3.631 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccco1 408537491 VRPJGBCXFWCHBY-GHRIWEEISA-N 460.442 3.872 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)NCc1ccco1 409148363 PLUFWJNWGLLBIV-DUQUIBLKSA-N 481.599 3.931 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1[N+](=O)[O-] 409329294 DKFHGABPPPDNNW-CXUHLZMHSA-N 450.519 3.502 10 40 JHCB Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1 3323978 GWUVCOOJSKONKA-UHFFFAOYSA-N 481.455 3.832 10 40 JHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 20287264 TUQFWUSPIZWYJQ-STZFKDTASA-N 456.886 3.620 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)c2C)cc1 22886200 ULRWWZFSYCPWLV-UHFFFAOYSA-N 485.631 3.793 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 22929917 RRDLEUOYKXRXMV-NDEPHWFRSA-N 481.648 3.889 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(F)c1 223140078 SGVFWQJMXVFESN-JWQCQUIFSA-N 479.625 3.933 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 408937202 NCLQHINGBSYGGF-NDENLUEZSA-N 461.405 3.979 10 40 JHCB O=C(O)c1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c1 409096341 JTZQGCJBWIAVFD-LDADJPATSA-N 471.516 3.535 10 40 JHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1cccc(Cl)c1 409135617 PWFWTGYBKQULEY-ODLFYWEKSA-N 475.929 3.991 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1 409267474 VUTYRTLKWAYQKF-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB COc1cc2nc(C)n(CCn3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)c(=O)c2cc1OC 604405928 UCZQONHHGRQULS-UHFFFAOYSA-N 493.519 3.949 10 40 JHCB biogenic COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 2127097 LEDSOKMXRZMUEW-UHFFFAOYSA-N 453.491 3.649 10 40 JHCB biogenic CN1C(=O)C(=Cc2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)C(=O)N(C)C1=S 59139726 KUZLEJLQJARENP-UHFFFAOYSA-N 484.715 3.869 10 40 JHCB COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 96298805 BVCCFCSRUWVCKM-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 101124700 IQDVRQRXWTZUGJ-LDADJPATSA-N 457.512 3.802 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Br 409174117 SCLZAUPTRSMEJP-JLHYYAGUSA-N 461.337 3.688 10 40 JHCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1CCS(=O)(=O)O 8821521 RQXRBMGCBPAXPV-RIYZIHGNSA-N 474.925 3.597 10 40 JHCB COc1ccccc1-c1coc2c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc2c1=O 85387545 PXOCXEJSQLPICL-ZWKOTPCHSA-N 470.525 3.955 10 40 JHCB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408670771 YCABJHASVILVAR-SJBKTWHCSA-N 480.948 3.693 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408877327 UVLJLQDPRJSAHQ-LPYMAVHISA-N 496.541 3.532 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1C 408896871 UKXZZFOJILTCGI-UHFFFAOYSA-N 475.364 3.650 10 40 JHCB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C(=O)NC1=S 408911835 OOPORIZKSZTORF-NTUHNPAUSA-N 465.756 3.938 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 409020839 UPEFKIQMOSVTGA-MJWAUXSNSA-N 495.340 3.685 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1O[C@H](C)C(=O)O 409220675 DDVSTOAXKNHJPC-SEEODLKFSA-N 479.272 3.520 10 40 JHCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 1792679 QYWACSCGRSRNNU-WOJGMQOQSA-N 472.544 3.719 10 40 JHCB CN(C)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2231187 XTWXXTIJKMFSLI-SDXDJHTJSA-N 450.589 3.595 10 40 JHCB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCN(c3ccccc3F)CC2)=NC1=O 9189264 IEHMSGGEHVOYFS-BKUYFWCQSA-N 457.527 3.644 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 9884875 FWXYZIZMNNGXQL-QAEAHILHSA-N 489.527 3.643 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3Cc3cccs3)CC2)cc1 13505276 MXFXGYMUQCBHQV-QHCPKHFHSA-N 464.570 3.842 10 40 JHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(I)c1O 58865905 JDNWKIAVDJCHQK-UHFFFAOYSA-N 479.064 3.513 10 40 JHCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223192191 BOXKUAIBMJWZBA-DQEYMECFSA-N 490.677 3.887 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC(C)C 408801319 VEVWZUYXVPEFPV-OVCLIPMQSA-N 475.295 3.617 10 40 JHCB CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 408818437 XZAKHDBPJCVURY-FYJGNVAPSA-N 475.570 3.961 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)C(C(=O)OC)=C2C)cc1 409023491 FEZUGABBFIBQBP-UYRXBGFRSA-N 451.475 3.845 10 40 JHCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 9452479 XSKCNZCJLYICRP-ICFOKQHNSA-N 460.625 3.559 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 34909866 RTVSRYIXHTVZPJ-ODLFYWEKSA-N 490.428 3.552 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(Br)cc4)no3)CC2)cc1 225820481 PDLVTDYCCQHLBG-UHFFFAOYSA-N 471.355 3.789 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C(C(=O)OC)=C2C)cc1 408585624 GPHHPUGLVQFATE-RGEXLXHISA-N 481.501 3.766 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 408902520 IXPXRDCAGJOFSI-UDWIEESQSA-N 490.443 3.778 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 100790057 LSCJCAMSAXFPGW-WHEOYJBGSA-N 463.523 3.769 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 16695910 UGGMNWHHUWUJHD-FXBPSFAMSA-N 467.616 3.635 10 40 JHCB COc1ccccc1NC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O 104124262 AFZVWDJZQQNKPY-WHEOYJBGSA-N 467.507 3.571 10 40 JHCB Nc1c(/N=N\c2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc(S(=O)(=O)O)c2ccccc12 104344381 BEWGDLLEHCQFHG-IZHYLOQSSA-N 484.519 3.675 10 40 JHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1 604406137 XEXQOOQSUUIREL-JOCHJYFZSA-N 464.477 3.891 10 40 JHCB biogenic Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 9158548 ZFPDJUKMUHQXCM-LGMDPLHJSA-N 481.555 3.861 10 40 JHCB CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 408873761 WVLCVJMWWDWAON-WQLSENKSSA-N 463.259 3.662 10 40 JHCB CCCOc1c(Br)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCC 409340470 XRLVFLFOXOGKOJ-MDWZMJQESA-N 460.371 3.922 10 40 JHCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 8590086 QBHYQGOVABGHPM-FQEVSTJZSA-N 465.015 3.618 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c2C)cc1F 9739057 UQWRBZIOVBSOTP-AREMUKBSSA-N 477.492 3.920 10 40 JHCB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(F)cc2)cc1 10113610 JSFJEBJMFGQBTJ-UHFFFAOYSA-N 497.592 3.946 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccccc1 408534085 LEINUCZSYHBENC-NBVRZTHBSA-N 472.453 3.589 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 408602414 NIWILTBRTSNERW-BOPFTXTBSA-N 495.831 3.961 10 40 JHCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 409241315 RBSSXEZORBXKHS-AAWHYMEISA-N 474.311 3.696 10 40 JHCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c3ccccc32)c1 409394315 YOIFHTUNFJSKGJ-HYARGMPZSA-N 479.496 3.650 10 40 JHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)cc1 1202593 CAAYGEVQEPHBHQ-NTEUORMPSA-N 450.232 3.674 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)n1-c1ccc2c(c1)OCCO2 3362756 UTWWLZOCGOGVAV-UHFFFAOYSA-N 499.523 3.510 10 40 JHCB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18077524 KVOSZFRDQRAWBI-FDFHNCONSA-N 455.441 3.829 10 40 JHCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)cc1 20207450 ZONUIULXORMFHV-PLLOTBJKSA-N 499.618 3.893 10 40 JHCB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 25386302 UAANUJOLOCYYBO-UHFFFAOYSA-N 468.490 3.763 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223655147 NZTGAHOFGKCORQ-XZOQPEGZSA-N 478.574 3.723 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223690150 RQCZYYHVUIDCRI-XZOQPEGZSA-N 450.564 3.730 10 40 JHCB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)s1 225363448 ZGLFBXVIPYZFKR-MRXNPFEDSA-N 485.635 3.814 10 40 JHCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCOCC3)c12 409139098 MMABRQYRIMOSIY-NDENLUEZSA-N 471.648 3.920 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409196333 ZCOZVRMMQBCSNA-NDENLUEZSA-N 490.497 3.532 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409230597 ZWMBQFBPOJQBDW-HYARGMPZSA-N 458.518 3.693 10 40 JHCB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 8800164 JLKUOZDYPAZFHW-QHCPKHFHSA-N 473.639 3.592 10 40 JHCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 10085015 VOXCRXBILIRJTM-KRWDZBQOSA-N 498.468 3.603 10 40 JHCB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13670036 GIZXOMVWZULJHB-KRWDZBQOSA-N 450.004 3.720 10 40 JHCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 22735487 MLWHEWFOHSQMPF-SANMLTNESA-N 465.619 3.574 10 40 JHCB Cc1cccc(OCCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 41085110 WJEATNRZGIPRFQ-FOSZEWQZSA-N 462.579 3.938 10 40 JHCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC 96221276 DCDGWDFLENLRIY-CYBMUJFWSA-N 492.436 3.741 10 40 JHCB biogenic COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408779885 MYTNMZANZYFBCZ-AUAXKSBWSA-N 490.556 3.546 10 40 JHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 408936445 GKVSADZAWBSRBK-OQLLNIDSSA-N 458.854 3.502 10 40 JHCB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 409131010 XPYNGRYHNBWHDM-XKZIYDEJSA-N 495.626 3.814 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12 409196415 ZZEUFOKWMSARBP-RCCKNPSSSA-N 471.538 3.970 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3OC)C2=O)cc1 409242422 UUTJGDRQQULFFS-FYJGNVAPSA-N 467.547 3.979 10 40 JHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)[C@H](c2ccccc2OC)C1 585261953 LAEUTZPZSBQDCZ-QHCPKHFHSA-N 451.567 3.740 10 40 JHCB COc1ccc(N(CCC(N)=O)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 8706946 NKIZKRWMCYGBIP-IBGZPJMESA-N 468.604 3.878 10 40 JHCB O=C1[C@@H]2[C@@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 18181111 YRZXQCGDZQBCQW-WAZHLZHFSA-N 467.452 3.862 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1 96237061 FQTRKYUYUVJKEZ-KOEQRZSOSA-N 484.556 3.906 10 40 JHCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)c1 101481039 OXWAYTVUQVHMGL-DNVJHFABSA-N 451.478 3.999 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223636438 TWBNWXMYGKKATD-GOTSBHOMSA-N 464.591 3.631 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223636647 VNDLTPWYPLKRBD-GOTSBHOMSA-N 464.591 3.631 10 40 JHCB C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225457376 KXUGGDJTUOQNBL-SJORKVTESA-N 465.566 3.672 10 40 JHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409189399 GDYZUUBRNIAOSV-MHWRWJLKSA-N 496.884 3.828 10 40 JHCB Nc1cccc2c1C(=O)c1c(N)ccc(-c3ccc(N)c4c3C(=O)c3ccccc3C4=O)c1C2=O 8871964 XBVXKXNMQIYYHE-UHFFFAOYSA-N 459.461 3.651 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409140724 IEEIHZWMAITKLM-SNINMWPCSA-N 492.626 3.733 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 16914939 LFNAZXUTJBAJRU-AREMUKBSSA-N 464.635 3.594 10 40 JHCB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1 44846145 MDEFYWVSKPLQIP-UHFFFAOYSA-N 469.651 3.844 10 40 JHCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1cc(C)cc(C)c1 104123948 VHIANUFVZUUAJJ-ANEHGGCBSA-N 472.552 3.636 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408954715 SIMUYCUXQIBUOH-RGVLZGJSSA-N 487.424 3.569 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C(=O)NC1=S 409218120 YSROZBVQTSGPGJ-CPNJWEJPSA-N 459.527 3.932 10 40 JHCB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 8720543 XSCXENPBYCCGEC-UHFFFAOYSA-N 458.609 3.813 10 40 JHCB CCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 16732976 QROCFHVBDGFXHX-AQTBWJFISA-N 466.588 3.926 10 40 JHCB COc1ccc(CC2=NN3C(=N)/C(=C\c4cc(OC)c(OC)c(OC)c4)C(=O)N=C3S2)cc1OC 36082034 DQUCMIPCBNNKCQ-SISRYMNBSA-N 496.545 3.591 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223291276 NPWHXZVWBBNVQZ-ZEQRLZLVSA-N 477.634 3.810 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(Cl)cc1OC 409101967 ZMBIXYQRDYUOJN-RIYZIHGNSA-N 476.938 3.596 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)NC1=S 409168722 RVZGCGPUECSQOS-CPNJWEJPSA-N 475.526 3.632 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccco1 13777967 ZVRZLRYTHZIYIY-LXEXHQCYSA-N 487.497 3.960 10 40 JHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 23745227 RDOYUDWGFGKCBH-UHFFFAOYSA-N 481.574 3.597 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1ccccc1)[C@]21SC(=S)N(Cc2ccco2)C1=O 102776981 MPVNNLAKGHBISK-YMSRPXOMSA-N 489.622 3.980 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 408818463 WXOXVFLAXLRIBC-MHWRWJLKSA-N 472.881 3.590 10 40 JHCB Cc1cc(C(=O)[C@H](C)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3440650 FYXPTJWBSBCGSN-INIZCTEOSA-N 491.560 3.746 10 40 JHCB COc1ccc(CN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C2CC2)cc1 8746879 ARYNKKZKSIVLFZ-UHFFFAOYSA-N 467.591 3.597 10 40 JHCB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 13675036 DSQSCNSFIITKRB-UHFFFAOYSA-N 467.566 3.938 10 40 JHCB Cc1cc(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)c(C)n1-c1ccc2c(c1)OCO2 35681617 BEXRHKRAYDYRLD-UHFFFAOYSA-N 465.510 3.909 10 40 JHCB CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccc(Br)cc23)C(=O)NC1=S 409146929 VPJOUUAVVOTQCE-WQRHYEAKSA-N 484.375 3.739 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F 658870 CYBKLMMDRSSTKE-RIYZIHGNSA-N 493.354 3.822 10 40 JHCB O=C1NC(=S)S/C1=C/c1ccc(OC(=O)c2ccccc2I)cc1 974518 HEAKSUIDJIKJMJ-NTEUORMPSA-N 467.309 3.999 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6227275 ZCARHIXSGAWJOD-JDCXBEBJSA-N 493.654 3.586 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 9064473 DNZCBFNIYAUIPJ-UHFFFAOYSA-N 469.350 3.747 10 40 JHCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4Br)o3)S2)CC1 9849128 MBYKKTDRPGEPGR-LDADJPATSA-N 460.353 3.844 10 40 JHCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]34)C[C@H]2C)cc1 35363903 HORBAYPOSKXLJO-MELDKPOLSA-N 454.611 3.731 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c2C)cc1 40158988 FBPQSDSKNNQHGH-HYBUGGRVSA-N 456.564 3.673 10 40 JHCB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260764740 LTICSHDQBKYXQC-SFHVURJKSA-N 461.653 3.582 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(C)cc1 408942947 REUNENLUPXOIDH-FYJGNVAPSA-N 486.480 3.947 10 40 JHCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 8951760 BOYJGNOWGADYAH-LDADJPATSA-N 456.545 3.712 10 40 JHCB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC)c(OC)c1)CO3 9306629 KOWLDWSLOFVTCI-UHFFFAOYSA-N 453.491 3.971 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504616 CPZKOBJJVRHSMW-VWLOTQADSA-N 458.541 3.781 10 40 JHCB CN1CCN(Cc2c(O)ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc23)CC1 20605030 JAORSZZKXRJYME-UHFFFAOYSA-N 497.345 3.782 10 40 JHCB biogenic CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)SC1=S 34700910 DLHPYWOYVAZRHP-WDZFZDKYSA-N 495.214 3.985 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SCc4ccccc4)o3)C(=O)N=C2S1 41083931 DVHHFIWKBACISW-MKGVMWAWSA-N 460.562 3.583 10 40 JHCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1)c1ccccc1Cl 224582783 OFRXPQLSTLISFA-UHFFFAOYSA-N 492.026 3.913 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c1 409104004 YAXHHIAPTRTOTC-YBFXNURJSA-N 456.520 3.869 10 40 JHCB O=C1C(/C=C2\Sc3nc(-c4ccccc4)cc[n+]3C2=O)=S=C2N=C(c3ccccc3)C=CN12 409415790 MPEXXUGSYDNYPY-HKWRFOASSA-N 467.555 3.518 10 40 JHCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15988999 HHSCJNGFGUWKRA-NEWJYFPISA-N 472.541 3.903 10 40 JHCB CCOC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)nc1C 28467633 VWCVXKXJAHRYBU-UVTDQMKNSA-N 479.580 3.997 10 40 JHCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1 214641440 DVCYWDWXINXNRP-FYJGNVAPSA-N 453.564 3.606 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 408803175 MACLDCSCPLBQJK-KGENOOAVSA-N 474.444 3.858 10 40 JHCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] 408849557 XHTVPASUXOSAGE-VGOFMYFVSA-N 474.267 3.649 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1Cl 408867117 JXSNKZXVQRIQBC-UHFFFAOYSA-N 463.715 3.841 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1N1CCOCC1 409106064 LXQRBWBEYHNVNY-GHRIWEEISA-N 455.967 3.625 10 40 JHCB CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C(=O)NC1=S 409106462 RXZGBNLGLNBGBF-QGOAFFKASA-N 465.575 3.698 10 40 JHCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 409134759 PQGUQXNKJMRIDS-DEDYPNTBSA-N 453.564 3.606 10 40 JHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br 409138441 BUJGUCVZKBAEEZ-RIYZIHGNSA-N 475.364 3.914 10 40 JHCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 409239884 RLJYYRWWCASVAA-RQZCQDPDSA-N 487.459 3.664 10 40 JHCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c3ccccc32)o1 409389493 BMHGOTZUICXVLB-LDADJPATSA-N 487.443 3.875 10 40 JHCB CC[C@@H](C)[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524510 JEMXXGADCPKTBD-RKQHAZBESA-N 474.605 3.702 10 40 JHCB COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1OC 2454588 DBGUUXZEBIYJHD-LDADJPATSA-N 474.560 3.648 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N(C)C)nc12 8827832 JZAGJOUVQHCFMA-CYVLTUHYSA-N 464.616 3.903 10 40 JHCB CN1C[C@@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12C(=O)Nc1ccccc12 13146625 UKKCOOAIIPKUHB-YZYNAAERSA-N 486.622 3.758 10 40 JHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 15039381 XLXQULVRKUDHFC-UHFFFAOYSA-N 459.518 3.519 10 40 JHCB Cc1ccc(N2NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)C2=O)cc1C 16312195 XBUCHNNLTMKSGG-AUWJEWJLSA-N 466.129 3.995 10 40 JHCB O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 19593671 UXOAPJWFFCGMFD-UHFFFAOYSA-N 480.376 3.757 10 40 JHCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\Nc1ccccc1NC(=O)C(F)(F)F 100954425 YXDNBNNGVIEPPG-XFXZXTDPSA-N 486.328 3.785 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2cc(C)c(C)cc2Br)C1=O 408536013 VEVBOPGDPHISOS-RVDMUPIBSA-N 485.338 3.917 10 40 JHCB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409207770 ZRRGXWGPMWTCBD-UXEMHHKPSA-N 476.577 3.835 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC 409247848 OIWBPWBTNZBFLX-VGOFMYFVSA-N 466.437 3.563 10 40 JHCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1F 409379547 XOYIPEYTCHHWMX-RGEXLXHISA-N 459.433 3.510 10 40 JHCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 786471 BSPMONKYOWYFAP-ZROIWOOFSA-N 488.352 3.952 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 8819567 YUSFBWXSVZMIPE-SILNSSARSA-N 468.600 3.814 10 40 JHCB NC(=O)[C@H]1CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 9224021 BNZAJKQOZGQDNX-JNCYCUAHSA-N 456.527 3.894 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(Cc4cccs4)n3C3CC3)CC2)cc1 12556452 CGCVJIALGRKASS-UHFFFAOYSA-N 469.636 3.715 10 40 JHCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1OC 100695829 DNENMPQCGGKATE-HJOGWXRNSA-N 497.503 3.707 10 40 JHCB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3cc4ccccc4c(C(=O)O)c3O)cc2)[C@H]1C 104123563 CJIQAHORJBZHAW-POTIEWHGSA-N 470.507 3.823 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409003173 FDGOOJJOTIUIQT-KGENOOAVSA-N 485.496 3.688 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)o1 409173173 LRIXYZFSQRSQIU-FOWTUZBSSA-N 479.470 3.703 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 409194359 KSPXYCGKTJCTNN-PYJSORCASA-N 472.339 3.713 10 40 JHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 409211618 MCNNCUACAZFTHH-YBFXNURJSA-N 463.421 3.624 10 40 JHCB COC(=O)c1c(N/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)sc2c1CCCC2 8496922 DBDVFNJYOFBAMO-LFIBNONCSA-N 469.588 3.774 10 40 JHCB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138146 JWGWUNRCIGCSQR-VWLOTQADSA-N 464.610 3.750 10 40 JHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 9260007 CJJXJUIXAXUHPJ-GZTJUZNOSA-N 451.366 3.669 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 9845924 SUWHXXVLZSAEKR-BKUYFWCQSA-N 467.547 3.515 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 22665512 OVCLZKXVTQHBPW-SANMLTNESA-N 476.596 3.950 10 40 JHCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 26841928 DRSYHCVONZFUMM-GRSHGNNSSA-N 494.598 3.955 10 40 JHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(=O)O 223270302 GITIGFQDXXBHAK-GOTSBHOMSA-N 463.607 3.721 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)S1 408527308 ACRULRIGQUTDSA-YVLHZVERSA-N 474.336 3.573 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408961713 UVFPBIXUUFRCPU-LDADJPATSA-N 456.365 3.881 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(OC)c3OC)C2=O)cc1 408985745 YHIFPXLREZPAHY-YBEGLDIGSA-N 459.296 3.695 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)C(C(=O)OC)=C2C)cc1 409017092 FDVRFTBJFCFMOW-RGEXLXHISA-N 451.475 3.758 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 409020769 TTWBNVLREUFRFE-MJWAUXSNSA-N 479.272 3.520 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)c(OC)c1 409073761 IHWMNTNNQLYHBW-GHRIWEEISA-N 455.536 3.509 10 40 JHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nnc(CSC)o3)c2C)c1 12539714 LKISYHAJPHONMG-UHFFFAOYSA-N 489.575 3.888 10 40 JHCB COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)c1 41084719 UVZYARNGNDBQJZ-SPMFCUJQSA-N 489.557 3.977 10 40 JHCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(O[C@@H]2/C=C/c2ccccc2)C(=O)c2ccccc2C1=O 105326455 YRZXQCGDZQBCQW-XAIXRMHQSA-N 467.452 3.862 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223707243 GPWIJQQEOZMSAX-PKTZIBPZSA-N 450.564 3.725 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc([N+](=O)[O-])c1O 409216496 LZARLWNYWAMIMH-YBFXNURJSA-N 489.440 3.554 10 40 JHCB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138148 JWGWUNRCIGCSQR-RUZDIDTESA-N 464.610 3.750 10 40 JHCB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13108244 RMQYXKUMQHSTRE-UHFFFAOYSA-N 476.510 3.894 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 41085067 IOBFNAOGAPSEDI-MFTVFGMVSA-N 489.557 3.895 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 225850570 SCWWGUIDCPINRN-UHFFFAOYSA-N 458.411 3.922 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc(F)cc2)c1 408804348 XUKRUMYOSFRBGF-CIAFOILYSA-N 462.433 3.785 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)cc1 409189474 GXXPSBFSBTVJPM-NFECSFHCSA-N 463.515 3.517 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1O 409246469 BRQBDTFQICUUBW-LFYBBSHMSA-N 481.755 3.956 10 40 JHCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 17136189 VUDKLCYYRDLMAX-UYRXBGFRSA-N 472.888 3.844 10 40 JHCB COc1cc([N+](=O)[O-])ccc1NN/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408536039 VIYMDLJNAUSBQA-GDNBJRDFSA-N 460.288 3.897 10 40 JHCB CN(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 9452249 ICQZGNYXTMVEGX-GOSISDBHSA-N 471.406 3.654 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)CCC2 9514628 QABQYZVFAJQHGC-NDEPHWFRSA-N 469.541 3.995 10 40 JHCB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9544287 FSUXRNBCPNHLGR-JTQLQIEISA-N 460.437 3.729 10 40 JHCB COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)c1 13509843 MTMGLTAPFJAQPJ-XPWALMASSA-N 467.477 3.699 10 40 JHCB Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 39222321 DDWQZXLZLRJPAX-CQSZACIVSA-N 473.323 3.994 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc(C)c1 41077823 CPLACAHRTILQTF-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 222833679 NOKKTOBGFIMVKD-QHCPKHFHSA-N 459.612 3.547 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 408897914 JOHQBMLFXQCODY-RCCKNPSSSA-N 455.470 3.679 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 409073546 QCOBLXWZTOOPBE-KGENOOAVSA-N 480.473 3.568 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409133210 MYFVYXSGZSEJDZ-JLHYYAGUSA-N 464.280 3.636 10 40 JHCB COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 504517255 KGSVEJBVASUCGS-XVOBZGQLSA-N 465.509 3.652 10 40 JHCB biogenic Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 12364215 LJPXKCVSZOLRGV-ULJHMMPZSA-N 470.529 3.597 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N21 20206282 FQGCNVKZPZPJTG-JXFDPVBFSA-N 492.941 3.679 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O 54360703 XHGZBJVDTKNOKC-YVLHZVERSA-N 460.508 3.850 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)o2)c(C)c1 12364146 XLZLOGDKCQSKLN-DEDYPNTBSA-N 476.510 3.882 10 40 JHCB COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504908 NXZAJLOBQDMUPW-XMMPIXPASA-N 450.587 3.648 10 40 JHCB Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C1CCCC1 16957255 WCVVHKOBEZPPQZ-HAHDFKILSA-N 469.607 3.758 10 40 JHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 20287434 NJWVUWLYCFZPFT-UCQKPKSFSA-N 479.468 3.587 10 40 JHCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-c5ccccc5)nn4)C3)CC2)cc1 22480853 SQYPCRPNBDSVRJ-QFIPXVFZSA-N 457.578 3.717 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1cc(=O)[nH]c2ccccc12 28628992 PGRCFHFTYDOIEN-SXGWCWSVSA-N 486.372 3.837 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)OC(C)C 36612292 XBJFXWLALOTLDT-YBFXNURJSA-N 452.463 3.530 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 41084018 JPAMWTBMOQXIRH-GQZSXMDHSA-N 498.586 3.594 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 98087001 XEROZBLVGFXLEZ-QNGOZBTKSA-N 484.599 3.729 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408871896 ZDDDVHSCNDDELY-UNOMPAQXSA-N 491.431 3.988 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)cc1 409205790 KAXIVRJSJQEKGC-TTYLXTBDSA-N 453.564 3.514 10 40 JHCB CCOc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819362 QUOFCMGNMKXWDW-UNOMPAQXSA-N 458.561 3.942 10 40 JHCB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)c1O 10233937 LFNUWAIDFHDDQM-GOSISDBHSA-N 471.560 3.825 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1 24875608 WBZKUJJYUSDODS-UHFFFAOYSA-N 494.617 3.791 10 40 JHCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 41077686 IIBATXBIZWYNRB-FREPTNQOSA-N 475.983 3.677 10 40 JHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100766525 BJJVWVVNARMKBX-ZRBLBEILSA-N 458.474 3.712 10 40 JHCB C[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 224443433 FPTUTHOXAQVMRE-CABCVRRESA-N 465.645 3.799 10 40 JHCB CCOc1ccccc1N(CCCC(=O)NCc1ccc(N(CC)CC)cc1)S(C)(=O)=O 225053672 QUSPUNITHTUIFV-UHFFFAOYSA-N 461.628 3.794 10 40 JHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC 408900449 SPXWGLALCODFGY-GDNBJRDFSA-N 459.296 3.831 10 40 JHCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O)Nc1ccccc1 408910175 JKAMXKQNHKBIMU-DEDYPNTBSA-N 459.433 3.510 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c(OC)c1 409073666 HQWDFQXCGHCYNB-LDADJPATSA-N 467.934 3.979 10 40 JHCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 409176886 AAHJPRIGRFVXST-WOJGMQOQSA-N 494.506 3.889 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)cc1C 409200968 KSSAGARSRADAAM-HYARGMPZSA-N 472.570 3.937 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1Cl 409245017 MDSKNIVXRVEMPY-WOJGMQOQSA-N 465.918 3.969 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2695984 PZIWTKJSEYKRMU-MSVBSMQLSA-N 465.600 3.720 10 40 JHCB CCc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 8612004 VZDHWEZWHDIZSR-JOCHJYFZSA-N 454.592 3.820 10 40 JHCB CCCCCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 8738220 IOXPDSUXHQNLIT-SDXDJHTJSA-N 482.635 3.785 10 40 JHCB COc1ccc(NC(=O)CN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 12032377 NACNJZDLRSYJOT-WOJGMQOQSA-N 474.560 3.561 10 40 JHCB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 13145364 SFMFOHLWJUBGND-UHFFFAOYSA-N 483.590 3.920 10 40 JHCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 27530510 YNVKDZQWTKUZSE-GIJQJNRQSA-N 487.515 3.649 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c(OC)c1 41085181 WICGBDZJACXWJW-JLFKZYKSSA-N 478.578 3.784 10 40 JHCB CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 225762646 HEGFHWMILJGXCQ-QHCPKHFHSA-N 461.628 3.793 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC(C)C 408957006 ZQAMQYNLJUDQCO-VIZOYTHASA-N 472.881 3.921 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)S1 409083035 UOSBZNOOISUHTA-LICLKQGHSA-N 495.376 3.632 10 40 JHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)ccc21 409188560 DGGOQTYSVLNELU-OOIIIRTPSA-N 453.907 3.772 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)cc(Cl)c3OC)CC2)c([N+](=O)[O-])c1 8832697 JPJSMXKAQLSXRJ-UHFFFAOYSA-N 499.376 3.756 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cn(C4CC4)c4c(OC)c(F)c(F)cc4c3=O)CC2)cc1 9423262 RTJBPCSFQDHCLL-UHFFFAOYSA-N 469.488 3.594 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)c3nnnn3Cc3ccco3)CC2)cc1 13505060 SECZEKGEPBOXDZ-HSZRJFAPSA-N 464.957 3.888 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2C)c1 14009317 RWGRACVFTMUDHC-HAHDFKILSA-N 486.528 3.802 10 40 JHCB COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 22665547 KKQFQHXYLDBUQR-MUUNZHRXSA-N 488.632 3.820 10 40 JHCB Nc1c(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(S(=O)(=O)O)c2ccccc12 100452510 RDOCWOMJXOTCCF-IZHYLOQSSA-N 484.519 3.675 10 40 JHCB COc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 108131925 RDNWXPGKFPQVHC-UCQKPKSFSA-N 477.586 3.917 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1O 408742663 RXENODKIHOSWMK-RIYZIHGNSA-N 461.337 3.693 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OC(C)=O 408773635 WCNBZPATFXQYRJ-LZYBPNLTSA-N 487.306 3.666 10 40 JHCB CCOc1cc(Cl)c(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC 409020422 PCEZMFMUIFWYEC-ATVHPVEESA-N 458.898 3.773 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Br)cc1 409394368 ZLYBODZTAAJYCK-UNOMPAQXSA-N 465.307 3.918 10 40 JHCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 5494123 ZLPDFOZLOKQVSV-DPLHUUCSSA-N 468.575 3.711 10 40 JHCB CC(C)Sc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)n1 8613814 JWAZZZAOESBKHF-KRWDZBQOSA-N 483.059 3.526 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccccc3)CC2)cc1 10326164 ACECCBCUPQPAMG-HXUWFJFHSA-N 491.613 3.798 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414381 KMLZKWSABMNYJX-CYVLTUHYSA-N 497.544 3.645 10 40 JHCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2)c1 408848158 QJAMOIOXXAIOPA-CIAFOILYSA-N 456.454 3.969 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12411508 MYSFWULYBYQNFF-RQZCQDPDSA-N 489.487 3.952 10 40 JHCB O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1C(=O)c1cccnc1 16429899 GZITZRJLFJWUHM-JYRVWZFOSA-N 452.298 3.728 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 59139588 JGNYMQFJPMYIOD-UHFFFAOYSA-N 493.354 3.775 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2F)OC32C(=O)c3ccccc3C2=O)cc1 101076109 KBFIMIHUVSWUHB-YPAWHYETSA-N 471.440 3.529 10 40 JHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 225600948 GYJWRTSLACRBSV-VAMGGRTRSA-N 473.639 3.963 10 40 JHCB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408671630 ZPKJANXQRJTHHE-SMIHKQSGSA-N 488.584 3.856 10 40 JHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl 408827037 ULOJABOHJFMCSR-VZUCSPMQSA-N 481.288 3.694 10 40 JHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408854616 JIIKUJHIDGRRIF-YRNVUSSQSA-N 467.330 3.851 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1Br 408887698 QKBKOVVYHYUZHC-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)O)C1=O 618254567 FCWZXGZYSWVNOP-JVVDOCDTSA-N 456.545 3.687 10 40 JHCB C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1c2ccccc2C[C@@H]1C 9112964 QLRIXTNVIRTBRM-GJZGRUSLSA-N 484.464 3.893 10 40 JHCB CCCOC(=O)c1ccc(Oc2coc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 19367264 YZBMOLWVWYHQKQ-UHFFFAOYSA-N 452.507 3.605 10 40 JHCB biogenic CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 25056590 HNNNGUTXNMURHR-VWLOTQADSA-N 466.607 3.639 10 40 JHCB O=C1[C@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(F)cc1 102777476 DXSRGCQCCJDVEK-PVIBPIFHSA-N 499.498 3.529 10 40 JHCB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(N2CCCCC2)cc1 225848436 LWNFHVIPYMYNBG-CQSZACIVSA-N 451.618 3.553 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1C 408536420 ZJHJHEDVMAAODG-NVMNQCDNSA-N 454.533 3.808 10 40 JHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 13896092 FBBTWBGRUZNVTE-CXUHLZMHSA-N 459.296 3.837 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)[C@H]4CC(=O)OC45CCCCC5)cc3)CC2)cc1 27739320 QLAICGYDRWNYTJ-XMMPIXPASA-N 491.588 3.862 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)c(OC)c1 408962895 VRUSYHOOMNWRHS-WOJGMQOQSA-N 476.441 3.637 10 40 JHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409046897 LHVQWSORASFSFZ-UKTHLTGXSA-N 482.365 3.933 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)c1 409350107 XIXIIEQAWOHZKZ-ZHZULCJRSA-N 454.573 3.638 10 40 JHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1cccnc1Cl 9467993 ZDNRAKQUIYRAKP-UHFFFAOYSA-N 455.253 3.959 10 40 JHCB COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)c[nH]c2c1 10232974 AQTIXNAXSHPNTE-JMIUGGIZSA-N 469.563 3.876 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 16914092 KWGFHDUABZVSEO-HHHXNRCGSA-N 458.606 3.811 10 40 JHCB COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)/C(=C\c4ccco4)SC3=S)c2c1 28296914 KJORCOQPBGFGIB-XDHOZWIPSA-N 455.561 3.720 10 40 JHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102711409 JAFDXWVQNKUNSI-YTFSRNRJSA-N 457.486 3.502 10 40 JHCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)c(F)c1 222861612 WPRPXMRLNXRWJT-UHFFFAOYSA-N 465.566 3.818 10 40 JHCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409067948 DWXVXEUOSGXHOF-NBVRZTHBSA-N 482.901 3.774 10 40 JHCB Cc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 409266321 QRLCIVHYCAINIQ-KGENOOAVSA-N 473.460 3.818 10 40 JHCB Cc1n[nH]cc1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524489 IRMABNVZFABORI-SANMLTNESA-N 468.561 3.526 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 1106754 RSWKTEOUJSUCCJ-YVLHZVERSA-N 469.375 3.891 10 40 JHCB CC(=O)N1c2ccc(N/N=N/c3ccc4c(c3)N(C(C)=O)[C@H](C)CC(=O)N4)cc2NC(=O)C[C@@H]1C 36489955 NWOLDKRVJJVOTB-UONOGXRCSA-N 477.525 3.965 10 40 JHCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223143046 SUXWLGAKHXFJFG-UIOOFZCWSA-N 491.661 3.802 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223690707 BFXYYUSYMOEPEM-GOTSBHOMSA-N 478.574 3.723 10 40 JHCB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)ccc1Cl 409172060 BJXOUKYXTJZOFV-GIJQJNRQSA-N 490.921 3.993 10 40 JHCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)N1CCOCC1 409208262 AAHKHMXRGHJNRZ-HYARGMPZSA-N 498.626 3.955 10 40 JHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 8993778 PWFOEBYNANSLCA-VGOFMYFVSA-N 495.340 3.687 10 40 JHCB COc1c(Br)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 9310499 WNONHIOFYDONKR-RUDMXATFSA-N 467.160 3.506 10 40 JHCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOCC)C1=O 9457904 VTUAKPJPXMLEIJ-VLGSPTGOSA-N 474.652 3.949 10 40 JHCB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19820330 PYUPHQSPIAPUHZ-PKTZIBPZSA-N 457.486 3.763 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 20547971 IKEAXQUWETZWMG-VVEDBRRQSA-N 495.535 3.698 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 260903539 PKSQNPAMACKCPU-NRFANRHFSA-N 469.651 3.948 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 409174964 WWXYUKFSDOVLII-XSFVSMFZSA-N 489.553 3.721 10 40 JHCB Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)c1C 409258871 YAWOGSNLOZPWFB-HMAPJEAMSA-N 485.496 3.693 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 9235857 VSKMLZLEVTZXHR-CJLVFECKSA-N 497.642 3.644 10 40 JHCB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18114887 MEHQTIIZWCGPQP-KMDXXIMOSA-N 465.505 3.994 10 40 JHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)c1 409105978 KIKZHVPGCOUVLT-IYSPOMMRSA-N 456.520 3.869 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)C2=O)cc1OC 409127216 CQFRJDOPEOCCCK-MHWRWJLKSA-N 458.898 3.808 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1C 409209607 HFVXPAMGHZQEQO-HYARGMPZSA-N 456.502 3.772 10 40 JHCB O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1cccc2c1C(=O)c1ccccc1C2=O 8878794 FYACGHMGOWFWSQ-UHFFFAOYSA-N 455.466 3.511 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 9281449 WSPROEBCXUIFBF-AQTBWJFISA-N 467.572 3.951 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 9934521 MQWKFSJIFRGAPT-AWNIVKPZSA-N 465.314 3.597 10 40 JHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13674111 MQMVCQZRJXGFHL-SANMLTNESA-N 491.613 3.950 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 13942516 BAQNJWPLSBOWTA-MRXNPFEDSA-N 468.575 3.971 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(c4ccc(C(N)=O)cn4)CC3)c2C)cc1C 22374419 ZYXLZWJRGKIPQD-UHFFFAOYSA-N 488.588 3.847 10 40 JHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 223014282 QFRDSLDXIDMHOL-GOTSBHOMSA-N 450.564 3.837 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 408812553 MBHYJQKNTYVMQS-HYARGMPZSA-N 474.444 3.858 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@@H](C)C(=O)O 409240317 GMSUQDADFRVJCL-XNFYSYIQSA-N 495.340 3.685 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Br)cc1 409243602 TZFQXMBKUWSFND-ODLFYWEKSA-N 465.307 3.918 10 40 JHCB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 409409400 OSGYUBUNABVYRD-DVKSIGJHSA-N 455.426 3.675 10 40 JHCB Nc1c(/N=N/c2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc(S(=O)(=O)O)c2ccccc12 4522192 BEWGDLLEHCQFHG-OCOZRVBESA-N 484.519 3.675 10 40 JHCB CSc1cccc(NC(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 9670848 FDJOLEKLRKDHHM-UHFFFAOYSA-N 476.466 3.888 10 40 JHCB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 12650189 ZAVVXOMSXDYMHL-UHFFFAOYSA-N 460.328 3.630 10 40 JHCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 26688210 XEFPJRJQIDICJP-UYRXBGFRSA-N 485.612 3.937 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCCC3)nc12 27021125 MJNZTQBZEPXGNV-JIHKLPAASA-N 470.620 3.738 10 40 JHCB CN1C[C@@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@]12C(=O)Nc1ccccc12 35851616 UKKCOOAIIPKUHB-CNVLFFCLSA-N 486.622 3.758 10 40 JHCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)C(=O)N(C)C1=S 59139458 PSNXUABXNZCNMP-UHFFFAOYSA-N 479.341 3.900 10 40 JHCB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100157596 MUTZECGPFVTAMP-VJBWXMMDSA-N 495.487 3.558 10 40 JHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)c1C 408858930 UKYLPWRIVNZONL-XNTDXEJSSA-N 458.312 3.926 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC 409408079 OZLONKRYYHHVGY-GDNBJRDFSA-N 478.286 3.550 10 40 JHCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 8827837 DXWVJUJUBOZHSZ-HKWRFOASSA-N 494.642 3.895 10 40 JHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCc3ccco3)nc12 12948382 NFOSUFCASINEFJ-CJMVGXJBSA-N 482.587 3.588 10 40 JHCB COC(=O)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN(c3ccccc3F)CC2)cc1 25571492 UXKARFCEEFYOOP-RUZDIDTESA-N 464.493 3.958 10 40 JHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1O 408916957 JKXBFTHYBGFXRF-QPEQYQDCSA-N 465.300 3.524 10 40 JHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409010771 LCVRJNOPWVFLJA-IYSPOMMRSA-N 456.520 3.869 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)O 409055827 JSKNVSUGLQYKMO-NTUHNPAUSA-N 493.299 3.830 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S)c1ccccc1 409179878 OYRXWEYAUIFTDA-ZROIWOOFSA-N 482.324 3.543 10 40 JHCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 12615147 FLKNYPSKUGDJDZ-ZHZULCJRSA-N 461.503 3.750 10 40 JHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 34883061 OMDCLZDXPLQXSO-MOSHPQCFSA-N 477.904 3.828 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCc3ccccc3C2)cc1 36683799 FCJLEHVDAYFRBQ-VWLOTQADSA-N 478.543 3.885 10 40 JHCB COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 101097805 GPSBPCRAJCYULB-SMIHKQSGSA-N 488.500 3.721 10 40 JHCB Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 409269372 IBJQPHUHJFNQHE-QNGOZBTKSA-N 471.538 3.844 10 40 JHCB O=C(O)[C@@H](N(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)C(=O)O 16399749 WHNFTCKBTCLGTQ-ZIPFOMIPSA-N 472.197 3.720 10 40 JHCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18180323 OXWAYTVUQVHMGL-VJBWXMMDSA-N 451.478 3.999 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccc(F)cc1 20207064 ZFRUBWWOKKZZTL-DHGDUMQRSA-N 487.582 3.881 10 40 JHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862053 CDYCBOBSXDNMEZ-RJGXRXQPSA-N 458.474 3.712 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(C)cc4)c3)CC2)cc1 408561408 SCRGRHLCZWQRGU-UHFFFAOYSA-N 495.601 3.775 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)S1 409080077 LAENMDRNCOOMTP-LICLKQGHSA-N 450.925 3.523 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409106038 KMBLAKFALQDOOS-LICLKQGHSA-N 455.898 3.624 10 40 JHCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 6298898 AOULCQLUQLWKGK-GNFOSXPUSA-N 476.577 3.837 10 40 JHCB CN(C)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8820303 QFCZVOCBNZFNNT-XDJHFCHBSA-N 487.603 3.618 10 40 JHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1F 9138328 ZSSIDVQBEXWMOW-XMMPIXPASA-N 452.574 3.798 10 40 JHCB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1cc(OC)c(OC)c(OC)c1)CO3 9418817 IZZBZKMNGIGKBZ-UHFFFAOYSA-N 489.908 3.853 10 40 JHCB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c(OC)c1OC 12388869 XRLVQOUDQJDJBE-INIZCTEOSA-N 450.491 3.760 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1F 16914730 DZXZQAPNFWVSGQ-RUZDIDTESA-N 483.609 3.978 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(=O)O 223270251 GITIGFQDXXBHAK-XZOQPEGZSA-N 463.607 3.721 10 40 JHCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(N2CCCCC2)cc1 225596719 JGRSRPASCLLLCG-UHFFFAOYSA-N 485.650 3.719 10 40 JHCB C[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 253571803 PKMFCOXSWVRCGE-TXCSNJEZSA-N 465.505 3.808 10 40 JHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408779886 MYTNMZANZYFBCZ-IBNIFWCESA-N 490.556 3.546 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C(=O)NC2=S)c(OC)c1 409113990 HZBWYFRDYYLYNW-OVCLIPMQSA-N 490.965 3.984 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 409237629 ARTAVBBBPMOXDQ-OQLLNIDSSA-N 454.280 3.996 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1Br 409392127 LHQILCDCINGFBG-SFQUDFHCSA-N 465.307 3.918 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)NC[C@H]1CCCO1 9090342 UBLHJULFIGQXEU-VQCBNXJZSA-N 456.536 3.565 10 40 JHCB Nc1c(C(=O)OCC(=O)Nc2ccc(Br)cc2F)ccc2c1C(=O)c1ccccc1C2=O 9141032 IWXOKFHRLLGXFY-UHFFFAOYSA-N 497.276 3.741 10 40 JHCB Cc1cc(C(=O)COC(=O)CNC(=O)c2cccc(OC(F)F)c2)c(C)n1-c1cccc(F)c1 9285832 XATXLAUMDOQYJZ-UHFFFAOYSA-N 474.435 3.991 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 9469838 SSOMHVNOBDDZFJ-UHFFFAOYSA-N 480.615 3.682 10 40 JHCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)OC(C)C 33655458 CMIQUYUMOOSOGK-STZFKDTASA-N 464.518 3.606 10 40 JHCB CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 35808635 YOKBRXJEWBYJIW-CQLNOVPUSA-N 497.573 3.712 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 41083868 QHBQTIYKDSTYSK-YXZMWACZSA-N 493.973 3.898 10 40 JHCB Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)c1 409263746 MKAKYPXMKVKPQV-JCMHNJIXSA-N 471.538 3.844 10 40 JHCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)c1 6190530 RZZGHCGOGZTYOL-PTNGSMBKSA-N 462.622 3.975 10 40 JHCB O=C(/C=C/c1ccc2c(c1)OCO2)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8969680 QMVUKGRKSSZSAA-UXBLZVDNSA-N 456.479 3.717 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cn4c5c(cc(Br)cc5c3=O)C[C@H]4C)CC2)cc1 33089235 GQXIMDFTTNTLFC-OAHLLOKOSA-N 482.378 3.852 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)OC(C)C 36612628 HLIJPQJIODETAN-VXLYETTFSA-N 452.463 3.530 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCc3ccccc3C2)cc1 36683813 DBLOZZZFMKTVFV-RUZDIDTESA-N 487.560 3.515 10 40 JHCB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 224269783 IITMQVUQRLSFJX-DLBZAZTESA-N 465.566 3.987 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1I 409221362 PHZUWPZXBRXTBJ-DHZHZOJOSA-N 498.729 3.785 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409235028 AADPBXUYELTHBF-CJLVFECKSA-N 470.529 3.980 10 40 JHCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc(I)c1O 993643 CQZJGEKVVZJVDT-NTUHNPAUSA-N 484.677 3.510 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 10078625 HSQLKXJYQZVJKD-DEOSSOPVSA-N 494.573 3.815 10 40 JHCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1OC 13756420 DNENMPQCGGKATE-SGNDLWITSA-N 497.503 3.707 10 40 JHCB CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(O)=NC1=S 17028492 WVJVAFJSEDVTND-XDHOZWIPSA-N 453.520 3.720 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCOc1ccccc1OC 113471573 OJBCBGQTYDBZAO-JCMHNJIXSA-N 480.546 3.513 10 40 JHCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622599 PZXCZWCZCUNNPK-PKTZIBPZSA-N 481.578 3.761 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccccc1 408531019 GHQWCIGFEGNXRO-VQBSTMAGSA-N 474.513 3.955 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 408935675 DIVZKESQVIFAAA-UDWIEESQSA-N 491.431 3.988 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408953850 QCFUHAKEGHXUEY-YVLHZVERSA-N 461.386 3.558 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1Br 409106470 NNDRBXNIOSUVBS-NTEUORMPSA-N 491.363 3.696 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OCC 409190121 KVMSGWLJWJAYIS-LDADJPATSA-N 468.506 3.553 10 40 JHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409243600 TYMGVIWGPRXTOJ-FOWTUZBSSA-N 451.891 3.660 10 40 JHCB COc1ccc2c3c(n(CCc4nc(-c5ccccn5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604404272 AUSSICOLCDHQBS-UHFFFAOYSA-N 480.480 3.918 10 40 JHCB biogenic Cc1ccc(-c2cnc(SCC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)n2C)cc1 12506734 GSACCFXCTFVDQH-QFIPXVFZSA-N 450.608 3.505 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2O)N[C@]3(Cc2c[nH]c3ccccc23)C(=O)O)cc1 102782356 IKEAXQUWETZWMG-IKOOFXLXSA-N 495.535 3.698 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 409247537 DDUYTXQFQBIWGI-KAMYIIQDSA-N 458.312 3.580 10 40 JHCB Cc1cc(C(=O)[C@@H](C)OC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1 8706752 FBOYUMQXCUQZDQ-MRXNPFEDSA-N 466.987 3.534 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 13943056 YHHKJAUIUFOSFI-UHFFFAOYSA-N 458.898 3.549 10 40 JHCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 16805819 GMKMFWGULAJRHE-UNOMPAQXSA-N 480.615 3.771 10 40 JHCB COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc(OC)c1OC 26771415 JQXGOHPBBOMBJR-BRFSQIRFSA-N 459.545 3.610 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085029 PAFHNMKCSOYMPS-PCHQCWAOSA-N 476.518 3.846 10 40 JHCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 102877473 JQFKTQNTCKOMTK-VXNXHJTFSA-N 478.504 3.881 10 40 JHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223604956 QOOSGHYEXVIPGJ-IZZNHLLZSA-N 491.661 3.681 10 40 JHCB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)ccc1Cl 409163932 ZYKQMSAXAUGUAX-CAOOACKPSA-N 476.894 3.603 10 40 JHCB COCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 8827835 FUNSNVFPNLCNBD-JZJYNLBNSA-N 494.642 3.977 10 40 JHCB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 224248093 GGJPNXAPMPADQB-ULJHMMPZSA-N 461.587 3.980 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c(OC)c1 409106673 SIQOUGLXQYQCQX-VIZOYTHASA-N 486.347 3.779 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)cc1 1205479 PUHRARVYYYWISI-HMAPJEAMSA-N 473.485 3.556 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1 9434678 IGBFDMWQCSCKOV-LPYMAVHISA-N 472.501 3.632 10 40 JHCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 10232908 ZZAWYLGJGWENSC-WFSQQTBHSA-N 476.488 3.682 10 40 JHCB O=C(O)CN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 15034280 UOJWJOLCCSVSMC-SXGWCWSVSA-N 462.936 3.643 10 40 JHCB COc1cc(/N=N\c2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)cc1N 17302806 JLVALQOIIVGPBD-MRCUWXFGSA-N 451.482 3.648 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NC3CCCCCC3)CC2)cc1 38487570 ALLAXOPXLXNROH-UHFFFAOYSA-N 477.652 3.720 10 40 JHCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1Cc1ccccc1 12552819 SHHFPQKURSSIJX-UHFFFAOYSA-N 495.630 3.665 10 40 JHCB Cc1cc(C(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 21482741 HUNMNJWECPBKNZ-UHFFFAOYSA-N 474.966 3.754 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccccc3)CC2)cc1 57015904 IFHDQENOIOFWNT-DVECYGJZSA-N 471.648 3.987 10 40 JHCB O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCN(C(=O)c3ccncc3)CC2)c1O 95406942 LNKOCRUSEVIBCS-UHFFFAOYSA-N 480.568 3.828 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 408901726 AZSZXZBCYZPVHV-DEDYPNTBSA-N 489.459 3.518 10 40 JHCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Br)cc3C)C1=O)OCO2 409101496 UIYVGDZTPUWGNV-AUWJEWJLSA-N 473.279 3.551 10 40 JHCB CN1C(=O)C(=CC2=N[C@@H](c3ncc(C(F)(F)F)cc3Cl)c3ccccc32)C(=O)N(C)C1=O 1385811 MZVCYZXFRYNWFE-MRXNPFEDSA-N 462.815 3.623 10 40 JHCB CN(C1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)S1)c1ccc(O)cc1 2711393 IDEQZBYMFRQBFZ-SXGWCWSVSA-N 463.309 3.725 10 40 JHCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 8821929 RFYSBRJCTCLMOL-ZCXUNETKSA-N 487.354 3.703 10 40 JHCB Cc1ccc2nc(N3CCSCC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 8827271 JKNYQVUDXJFPDE-ATVHPVEESA-N 472.661 3.700 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 12381045 CYSZFYWXGOXELG-QVASGMJFSA-N 479.272 3.520 10 40 JHCB Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1 20548084 PMFCFDUUWAOEOT-VVEDBRRQSA-N 495.535 3.698 10 40 JHCB C#CCOc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 35088657 KNZIKNDYWMOTKV-PTNGSMBKSA-N 475.726 3.975 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 41084345 JAKYJGQKZAKDKE-IXNLWNGPSA-N 486.960 3.796 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1C 101099795 QXBFNCLYLHXWGK-ZLNRFVROSA-N 451.478 3.999 10 40 JHCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 112298869 GUEFXCMCOVQOQU-ZHZULCJRSA-N 469.592 3.510 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Cl)c(Br)c1 408890148 OQNOKEFKEFICCQ-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408953890 QITRPDWQFIRIHK-UDWIEESQSA-N 456.454 3.969 10 40 JHCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 409189821 TYMSOHZNRXYOIF-SEEODLKFSA-N 465.314 3.677 10 40 JHCB Cc1ccccc1CN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(C)(=O)=O 10113382 FVXJKBOCYLNQLW-UHFFFAOYSA-N 493.629 3.728 10 40 JHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc4nsnc4c3)c3ccco3)CC2)cc1 38598161 GGQRQHUPDBKKEQ-QFIPXVFZSA-N 463.563 3.586 10 40 JHCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O 408549796 ZDQGKZRTKGTZSY-YDZHTSKRSA-N 477.492 3.878 10 40 JHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 9322248 LHDAIMKALMKJJB-AREMUKBSSA-N 459.502 3.781 10 40 JHCB Cc1cc(C)cc(-n2c(C)cc(C(=O)COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])c2C)c1 12607124 NZTSYCOIYZAHSY-UHFFFAOYSA-N 457.508 3.528 10 40 JHCB O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 21554722 CEBKXUWNCVSMFT-UHFFFAOYSA-N 461.381 3.814 10 40 JHCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1 33643297 GGCYPRMKHOXADU-YVLHZVERSA-N 466.837 3.906 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223636512 VNDLTPWYPLKRBD-DHIUTWEWSA-N 464.591 3.631 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)OC)c(Cl)c3)C2=O)cc1 408981852 DBVTVKVDSZUWDR-NVNXTCNLSA-N 477.300 3.774 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)N1CCOCC1 409216196 GDPVLIHUWRBWDX-RCCKNPSSSA-N 490.647 3.857 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)C2=O)cc1 409259643 BVMJNPZEWUJGGW-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c4ccccc34)[C@H]21 1616044689 UEKFIXRLPNJXFJ-CQXWEXEVSA-N 498.627 3.942 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3nc(C)cs3)C2=O)cc(OC)c1OC 2950623 KXUXTTFKFDBSJT-DHDCSXOGSA-N 479.605 3.707 10 40 JHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 15013562 HHSLJRTTWVZYDB-FEEIMYBTSA-N 467.279 3.838 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C(=N)N21 20205846 OFDJKVMMSKZKDD-KMFLQCEESA-N 497.989 3.964 10 40 JHCB COc1cc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc(OC)c1OC 26771416 JQXGOHPBBOMBJR-GYZOOYGHSA-N 459.545 3.610 10 40 JHCB O=C1OCC/C1=C/c1ccccc1OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 34715253 XFUJOUBTMREXOB-SQFISAMPSA-N 469.405 3.920 10 40 JHCB CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)sc(C)c1C 59139633 FKYYMQMNYHJSFZ-UHFFFAOYSA-N 459.593 3.548 10 40 JHCB Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100670090 MEHQTIIZWCGPQP-TZRRMPRUSA-N 465.505 3.994 10 40 JHCB CCOc1ccc(N(CCCC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 224845247 QUMROEOKPFJWIV-UHFFFAOYSA-N 461.628 3.794 10 40 JHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cccc1OC 408526748 CCIHZOFLVXDVMY-SXGWCWSVSA-N 460.489 3.561 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409240460 UAHWUEXCQPJCOW-BKUYFWCQSA-N 467.547 3.515 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 223690788 BFXYYUSYMOEPEM-XZOQPEGZSA-N 478.574 3.723 10 40 JHCB COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1=O 1545331418 JIVFBUOOZPHOHO-LJQANCHMSA-N 451.548 3.786 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 408935540 HSEOSDKFVAJDAC-MTJSOVHGSA-N 488.412 3.748 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)C(=O)NC2=S)cc1 409234687 XELHBSIQSNQVIL-XSFVSMFZSA-N 451.548 3.525 10 40 JHCB O=C1c2ccc(-c3ccc4c(c3)C(=O)c3c(ccc(O)c3O)C4=O)cc2C(=O)c2c1ccc(O)c2O 4783172 ZUDQTYYYECELEH-UHFFFAOYSA-N 478.412 3.727 10 40 JHCB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCN(c3ccc(F)cc3)CC2)=NC1=O 9189274 DLHZSRKWHLFYNE-BKUYFWCQSA-N 457.527 3.644 10 40 JHCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 9631643 WUQMJNOYVSAQBH-CYYJNZCTSA-N 481.534 3.611 10 40 JHCB Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 59140058 XDVUDZKRGNWBOC-UHFFFAOYSA-N 459.365 3.935 10 40 JHCB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 409133968 RETXDTWZNJQOKR-MOSHPQCFSA-N 451.573 3.810 10 40 JHCB CCCCN1C(=O)/C(=C2\SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 2701139 BGVXEZNIHOOCPM-PFONDFGASA-N 455.399 3.814 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 8738675 IKJZOSHZSFGXNE-VDIJGKAHSA-N 498.674 3.865 10 40 JHCB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 13632699 DKNFFHOGSBPATA-IBGZPJMESA-N 459.612 3.547 10 40 JHCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(F)c1 96221604 GKHVGXMEHAZXLC-ZDUSSCGKSA-N 480.400 3.871 10 40 JHCB biogenic COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2C)OC32C(=O)c3ccccc3C2=O)cc1OC 101481626 JIWMDXCGEGFEFD-WXFUMESZSA-N 497.503 3.707 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 223655377 BQOJUCMLDXECCC-XZOQPEGZSA-N 478.574 3.723 10 40 JHCB O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3Br)c(Br)c2)C(=O)N1 408867572 KOKKCLNANHOKCU-UHFFFAOYSA-N 464.113 3.552 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409408411 QJFXYOACSDBCMM-JCMHNJIXSA-N 471.513 3.873 10 40 JHCB Cc1ccc(N2NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1C 3101534 XBUCHNNLTMKSGG-VGOFMYFVSA-N 466.129 3.995 10 40 JHCB CCc1cc2c(C)cc(=O)oc2c(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O 16876884 IVJPBLJTIJBVJZ-UHFFFAOYSA-N 464.518 3.949 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2F)c1 408899756 QSDFNNKUTYVHDL-UDWIEESQSA-N 462.433 3.785 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)CC2)cc1 408921691 VCWMEWNAKGXCSH-UHFFFAOYSA-N 470.617 3.980 10 40 JHCB COCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C 409014899 MDWJWMBZWSMQPT-QNGOZBTKSA-N 451.519 3.983 10 40 JHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c1 409208455 FZSAOTGHQGUSIE-HYARGMPZSA-N 456.502 3.772 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 409276875 XLLDAXHQTVQUDZ-UHFFFAOYSA-N 476.461 3.821 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N[C@@H](Cc1ccccc1)C(C)=O 9672169 PESRKIGGNDBEJU-FQEVSTJZSA-N 465.575 3.750 10 40 JHCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 16427998 FHPLSFWKHMHLJX-XGICHPGQSA-N 465.712 3.663 10 40 JHCB CCCOC(=O)c1ccc(Oc2coc3c(CN4CCN(CC)CC4)c(O)ccc3c2=O)cc1 19367839 KVYDWUWDDQMZGA-UHFFFAOYSA-N 466.534 3.995 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408773659 SRJUGFIKMRIOEG-IWIPYMOSSA-N 486.524 3.848 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)C2=O)cc1 409263077 LLWFYGVNXJMNNH-HZHRSRAPSA-N 499.523 3.996 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(OC)cc3OC)c3nnnn3C3CCCC3)CC2)cc1 13503920 ONSXTVGDNAICNU-VWLOTQADSA-N 478.597 3.726 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 41084342 IGBXGWUMLBGSFE-HELPIZENSA-N 493.545 3.816 10 40 JHCB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)s1)c1ccccc1 225794731 GYFFUYJXDIZIPS-UHFFFAOYSA-N 464.528 3.822 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408843677 AOQIJEWNDRJIEO-RIYZIHGNSA-N 463.259 3.662 10 40 JHCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409195764 KSHQFPDRSHQFMF-ZDLGFXPLSA-N 455.898 3.850 10 40 JHCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 409343291 DLLUQDIOHVBQQL-MLPAPPSSSA-N 469.294 3.903 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 8870071 LRUDPQBCIXTJAM-SCWSXOCZSA-N 479.583 3.571 10 40 JHCB COc1ccc(N2CCN(C(=O)COC(=O)CCCOc3ccc(Cl)c(C)c3)CC2)cc1 9633838 FFQYLSNHQVROEK-UHFFFAOYSA-N 460.958 3.708 10 40 JHCB COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1OCc1cn2ccccc2n1 40152648 MJYUVYXXMWGTPD-UHFFFAOYSA-N 467.532 3.727 10 40 JHCB COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 41084286 ZMLZESJXWPROOE-NLFWRFBQSA-N 483.509 3.977 10 40 JHCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224713246 NIFAJRCFVYRVTF-OAQYLSRUSA-N 476.599 3.610 10 40 JHCB Cc1c(Br)cc([N+](=O)[O-])c(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c1C 408536304 WAYLOQKCSPFTSI-RVDMUPIBSA-N 487.310 3.591 10 40 JHCB CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 3873816 YSEXMKHXIOCEJA-YFMCZXFPSA-N 484.394 3.911 10 40 JHCB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)c4ccccc4c3O)CC2)cc1OC 25664902 YAKITGYPPFWVQO-UHFFFAOYSA-N 476.982 3.723 10 40 JHCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59136025 OVRHFXMTMAKKRF-XYOKQWHBSA-N 493.310 3.812 10 40 JHCB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C 62613753 DVIGWSXIXVRUCB-PKNBQFBNSA-N 485.009 3.712 10 40 JHCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(F)cc1 108024925 ADUXVOJVBDDLEY-CIAFOILYSA-N 486.459 3.674 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 408807394 CQYHDEASRVHRRW-CXUHLZMHSA-N 489.322 3.920 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)cc1 408884740 VFQUFFDXTXFPIY-RCCKNPSSSA-N 458.445 3.870 10 40 JHCB CCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)SC1=S 409342651 FYSFNEHYYSVDOS-AUWJEWJLSA-N 460.371 3.621 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 2067837 LZUBLSOEMAVSSH-PJQLUOCWSA-N 461.433 3.581 10 40 JHCB COc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N=C2O)cc1OC 27522846 AJZNILOQYXJKED-UHFFFAOYSA-N 491.294 3.514 10 40 JHCB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33780042 TVMLHWWCPGRVMD-DHDCSXOGSA-N 479.714 3.506 10 40 JHCB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 225862277 JBMLUGORPRJHMD-UHFFFAOYSA-N 480.015 3.769 10 40 JHCB Cc1cc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])cc1C 408533498 SRIRXNIZPFBRGU-NTEUORMPSA-N 473.283 3.861 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cccc4nsnc34)C2=O)c(C)cc1Br 408535074 XLVXSZDWLPIXJW-DHZHZOJOSA-N 472.324 3.649 10 40 JHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)ccc21 409196175 XJLMSAJIIUQPAR-YXHQGMJNSA-N 498.358 3.881 10 40 JHCB CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O 409224726 MEEQNVVAUPXZTJ-UHFFFAOYSA-N 485.496 3.533 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C)cc1 3362252 HOJNTZZQOZIGJP-UHFFFAOYSA-N 496.472 3.846 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 6798453 PWKYVPCKDRTFIO-HMAPJEAMSA-N 456.454 3.939 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCc3ccccc3C2)cc1 16914871 HPGVALACHSOTKR-RUZDIDTESA-N 493.629 3.602 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc2c(c1)OCO2 223272882 KMQHURVJKFHLCZ-RPWUZVMVSA-N 463.607 3.752 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OCC(=O)Nc1ccccc1 408896642 GTSVDMHLKXFKLV-PXLXIMEGSA-N 499.523 3.996 10 40 JHCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2cccc(O)c2O)c1 36365368 PHSRKRUOWIGMGG-QFIPXVFZSA-N 480.524 3.929 10 40 JHCB CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3C)c(O)c12 100048473 MWQZCIAZVZWFDV-QURGRASLSA-N 479.492 3.721 10 40 JHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 223311391 BPUYZFNNJDQGLF-UHFFFAOYSA-N 471.667 3.824 10 40 JHCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408532586 QJWCDCVMZZAVKE-VBKFSLOCSA-N 497.397 3.732 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)NC4CCCCC4)c3)CC2)cc1 408558345 QSARWPMKFKWNHG-UHFFFAOYSA-N 471.623 3.577 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 408886893 MWKHRVYYMIPCAI-XQNSMLJCSA-N 490.537 3.992 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccccc1 409073823 TXBYJDYSKBGPAU-QXHVWWCLSA-N 487.625 3.707 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 8451816 KZDRVMQOAFAIOP-SRZZPIQSSA-N 472.501 3.663 10 40 JHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 9908237 OJPAXUDQRUUIKJ-LDADJPATSA-N 451.891 3.660 10 40 JHCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c1O 16194931 SMXVBGNKACOZFF-NTUHNPAUSA-N 478.280 3.743 10 40 JHCB CCOC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19529584 RDXWPYKGQHZTDY-OKUYAMHMSA-N 497.595 3.970 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 33457772 QUQAHGRXRSKPSQ-ZKAVZLEVSA-N 491.348 3.987 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 34705779 HTZJYJJCQBZQOV-YVLHZVERSA-N 491.416 3.550 10 40 JHCB CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221586 NXVYZUMNFNZRBN-LBPRGKRZSA-N 464.430 3.501 10 40 JHCB biogenic COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)O 409020840 UPEFKIQMOSVTGA-ZDIKFAODSA-N 495.340 3.685 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1C 409045040 XTIOEGYUTHMJCE-HZHRSRAPSA-N 469.497 3.987 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)c(OC)c1 409085529 DDYSYVKFKZRZLD-CPNJWEJPSA-N 461.543 3.943 10 40 JHCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3cc(OC)ccc3OC)C(=S)N=C2O)c(O)c1 1444034 RJQICGLRFVSXSK-GZTJUZNOSA-N 455.536 3.927 10 40 JHCB CCOC(=O)c1c(N/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)sc2c1CCCC2 2126369 RQSWPHQVVDXLRY-RVDMUPIBSA-N 473.551 3.686 10 40 JHCB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3437281 OKXYNDAJXQDQKL-UHFFFAOYSA-N 459.449 3.612 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)NC1=S 9311404 LPWDIFGBWAZAOA-PTNGSMBKSA-N 460.353 3.782 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N21 20206987 FUOOLDRIEWWHSG-ATNGQLTKSA-N 487.519 3.502 10 40 JHCB Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 100497502 LPDWULDRQPISCQ-FKBYEOEOSA-N 455.441 3.829 10 40 JHCB COC(=O)COc1c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cccc1OC 408531286 MQFCIOMLIRDDQI-LDADJPATSA-N 458.561 3.719 10 40 JHCB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9982394 DYWDKLZYPNMZBC-UHFFFAOYSA-N 461.495 3.988 10 40 JHCB CCOc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC 19877652 YCOAVJAVZGIORW-AUWJEWJLSA-N 479.327 3.827 10 40 JHCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 58903850 BEWPOCDDFWFPCI-STZFKDTASA-N 490.487 3.991 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)cc1 408804718 GWOUXZJINBSLRJ-MHWRWJLKSA-N 459.296 3.911 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1Br 408887068 LTRZMYIBMJLROA-UHFFFAOYSA-N 479.714 3.830 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1Cl 408989231 SQKGVHLTHJJVDQ-WCIBSUBMSA-N 480.658 3.691 10 40 JHCB CCOC(=O)[C@H]1[C@@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 6144501 NSBZBUNSBUCZCD-KNKQGSTJSA-N 481.540 3.662 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C(=O)NC1=S 409100340 VHGAWOYLBKXCNM-XDHOZWIPSA-N 492.988 3.986 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1Cl 2240019 SLZHOHNKZMOSEQ-FBHQFGEZSA-N 482.005 3.518 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nc4ccsc4c(=O)n3-c3ccccc3)CC2)cc1 26093564 RKUUCKGXOCROIJ-UHFFFAOYSA-N 492.626 3.897 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)OC(C)C 36612683 XPNHYPZVBFPDFR-RGVLZGJSSA-N 466.490 3.920 10 40 JHCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 36683787 XGMJCAGQZBRCDJ-SANMLTNESA-N 472.589 3.616 10 40 JHCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 108221545 BAZHLSOATWDFKO-DHDCSXOGSA-N 462.380 3.696 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223689934 JEKQHLIMTXUOOI-XZOQPEGZSA-N 450.564 3.730 10 40 JHCB CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 13503999 SMEDAMQMTUDEPF-QHCPKHFHSA-N 450.587 3.747 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914930 YJHNVCREUOKHOU-AREMUKBSSA-N 482.625 3.734 10 40 JHCB O=C(O)c1cc2ccccc2c(/N=N\c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)O)c1O 17352434 ZCGHMFIVQIMDSP-HNENSFHCSA-N 462.352 3.722 10 40 JHCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 20287559 KCCWJQFFFCXZTD-JCMHNJIXSA-N 451.479 3.524 10 40 JHCB Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1 23077266 ISVAVAZABYJQPW-UHFFFAOYSA-N 467.428 3.972 10 40 JHCB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)CC2)cc1 25480655 GPQCVTCZWFPIQP-RUZDIDTESA-N 457.530 3.942 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 216358003 BFFKNWFATKQADD-UHFFFAOYSA-N 494.032 3.938 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408911061 MRZLQSRRZONIDY-UDWIEESQSA-N 461.449 3.686 10 40 JHCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 408953884 QHVRFWMFLGUGAC-WYMPLXKRSA-N 499.567 3.685 10 40 JHCB COCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 1789892 QCPYNYCJMVJJJJ-SSZFMOIBSA-N 455.586 3.693 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1O 9056460 ACTYOJDPTKNOLC-LFYBBSHMSA-N 496.111 3.592 10 40 JHCB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 9417910 CCEUBRDOWTWWDA-SANMLTNESA-N 459.502 3.781 10 40 JHCB COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2O)cc1 26786894 ZCMWKHKAHJYSPK-UHFFFAOYSA-N 492.531 3.559 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408899252 OPKHSIOXKADKKI-HKWRFOASSA-N 478.551 3.594 10 40 JHCB CN1C(=O)/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)NC1=S 409146984 VVDDXPBQUANMEK-YVLHZVERSA-N 454.349 3.709 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)O)cc1 409187413 QCWRHBDRFHHJHS-XSFVSMFZSA-N 488.521 3.804 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC 8819385 BSBOHWDNFHMEFF-ODLFYWEKSA-N 456.545 3.746 10 40 JHCB COc1ccc(N2CCN([C@H](c3cc(OC)ccc3OC)c3nnnn3CCC(C)C)CC2)cc1 13505386 WANWTSZXTXKSMM-RUZDIDTESA-N 480.613 3.657 10 40 JHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCOCC4)cc3OC)N21 222680069 MQRUUFDXUPESPC-UZFJHSOTSA-N 454.596 3.915 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223653762 ORBSJBAJYXQPHR-GOTSBHOMSA-N 450.564 3.730 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCC5)nc(SC)nc4s3)CC2)cc1 408636519 RLWNMTIBYCYXAB-UHFFFAOYSA-N 469.636 3.984 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)C 409405421 GZPHQOMVNSVXDD-YBEGLDIGSA-N 492.313 3.939 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1O 8870246 OQVIOZBOXSEAGZ-LZYBPNLTSA-N 462.465 3.836 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccc(OC)c3OC)c3nnnn3CCC(C)C)CC2)cc1 13505378 USHXJZYBZSYNQO-XMMPIXPASA-N 480.613 3.657 10 40 JHCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 14269035 OCHDYSJYCXUONR-UHFFFAOYSA-N 456.568 3.738 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1 33048026 JARRDVCULIFVMW-UHFFFAOYSA-N 490.217 3.731 10 40 JHCB COC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34863689 ARIDNNDKZXSWHE-GPILYODUSA-N 479.714 3.504 10 40 JHCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1CCc1ccc(F)cc1 100369237 JRMSIISGGKEVCG-VJBWXMMDSA-N 469.468 3.559 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c1 6573634 BDZJNTCMVXBJJX-UYRXBGFRSA-N 462.483 3.875 10 40 JHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 13073967 FWXYZIZMNNGXQL-ZCQLHAAUSA-N 489.527 3.643 10 40 JHCB CCCCCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br 408538935 RQSMHWHRBKGVKH-UHFFFAOYSA-N 474.149 3.920 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C(=O)NC1=S 409175252 ZJLUGAJCFXLGOT-CPNJWEJPSA-N 489.553 3.941 10 40 JHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409232210 OYFDABVBZBQZBM-HZHRSRAPSA-N 487.560 3.700 10 40 JHCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(I)ccc2O)N3)C1 8927635 LQGFNZSXTQKHSN-HNNXBMFYSA-N 455.321 3.865 10 40 JHCB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Nc1ccccc1OC(F)F 9443381 CVEPAHQTIFBSSZ-UHFFFAOYSA-N 496.378 3.767 10 40 JHCB Cc1c(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 9487130 ZXGDQOJRQLRPQQ-UHFFFAOYSA-N 456.590 3.901 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 17194713 KYRSSCQNLSNYGF-JWGURIENSA-N 489.484 3.913 10 40 JHCB O=C(NN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S)c1ccc(Br)cc1 27519166 WKYSKAXMNWWRSA-ZROIWOOFSA-N 464.322 3.904 10 40 JHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 223220229 HNMMEPNFKPCPHJ-UHFFFAOYSA-N 453.555 3.674 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409219114 NJCGZMDHHSZCBH-DEDYPNTBSA-N 462.893 3.809 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@H](C)C(=O)O 409244225 ZTZFKHRJCAHETN-QSARLWQPSA-N 495.340 3.685 10 40 JHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1I 2738676 MSNQBCQHLNMINJ-XFXZXTDPSA-N 467.650 3.523 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8720562 MGXVYFSARLOVGK-NDEPHWFRSA-N 485.540 3.832 10 40 JHCB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N12 33535236 XDKHIYMTLYWMNU-MEOLDJOHSA-N 493.522 3.917 10 40 JHCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c(C)n1-c1ccccc1 39977893 XYYJDTMXSHBDNR-GOSISDBHSA-N 459.502 3.574 10 40 JHCB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100416904 JMMQRWZZOPIFOI-FKBYEOEOSA-N 482.448 3.598 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)OC(C)C 408601803 LJDWBPRXNVQYOS-YVLHZVERSA-N 492.600 3.633 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1OCC 408710941 ZDABUYDQRRGFGE-DQPIFXJKSA-N 450.491 3.864 10 40 JHCB COC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 409144756 GKHNHALPJPRBMC-IGYCIJMVSA-N 495.420 3.957 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)c1 409192551 YPNZGIARCNELJA-BXUJETTOSA-N 463.515 3.517 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)NC1=S 6288662 LCXQWOZVQGESED-LDADJPATSA-N 453.951 3.616 10 40 JHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 8738673 IKJZOSHZSFGXNE-UDZQSUQISA-N 498.674 3.865 10 40 JHCB O=C1/C(=C/N(CCN2CCOCC2)Cc2ccccc2F)SC(=S)N1c1ccccc1 13692228 RGAWOXHBUFIWIS-FXBPSFAMSA-N 457.596 3.866 10 40 JHCB CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 16742287 UVXQNPYZWYGCAG-XHMSLRDHSA-N 462.575 3.733 10 40 JHCB O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408554674 SQWWORAVXCOYQQ-UHFFFAOYSA-N 484.748 3.579 10 40 JHCB O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 408753170 DXFCSKQRMAANOU-JCMHNJIXSA-N 464.481 3.946 10 40 JHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409047043 MGQFEWHMTOJUKJ-YBFXNURJSA-N 456.520 3.789 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c(OCC)c1 409191208 DIZZDGIMLNTBFJ-SJPXOZHESA-N 491.500 3.751 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 27020724 MVZZBAICJNAGKG-RGEXLXHISA-N 480.615 3.853 10 40 JHCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1 223439441 FNQLQPSRPZVURY-UHFFFAOYSA-N 473.639 3.892 10 40 JHCB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCCC2)cc1 225512056 QYRNCZZZANBANK-RBBKRZOGSA-N 455.624 3.955 10 40 JHCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409249813 OYJOUEYWJUAZSJ-RVDMUPIBSA-N 476.316 3.505 10 40 JHCB COC(=O)c1cccc(Cn2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)c1 59180637 SGHRQWIYDREXIF-VXLYETTFSA-N 466.540 3.762 10 40 JHCB COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96115855 CLAFEYSEICVBNZ-INIZCTEOSA-N 488.448 3.864 10 40 JHCB biogenic CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102711412 JAFDXWVQNKUNSI-RJGXRXQPSA-N 457.486 3.502 10 40 JHCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(I)cc1 215243149 BYMHCKIBNCFFSM-OVCLIPMQSA-N 453.257 3.939 10 40 JHCB COC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408902009 JTMSDUPUPIKXBF-CXUHLZMHSA-N 459.296 3.816 10 40 JHCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O)Nc1ccc(F)cc1 408912199 PYRKVDUTZKZCQV-UDWIEESQSA-N 477.423 3.649 10 40 JHCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC 408983001 JNBPLJFOGQQGGR-YVLHZVERSA-N 486.908 3.655 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409078143 GSTGCLISPYDCGX-UHFFFAOYSA-N 481.408 3.719 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1O 409333939 GCIMKDZAPYLGFP-KPKJPENVSA-N 471.379 3.771 10 40 JHCB CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 1450036 PXAJFDWRPYXBQB-SILNSSARSA-N 491.642 3.551 10 40 JHCB O=S(=O)(O)c1cc(O)c(/N=N/c2ccc3c(S(=O)(=O)O)cccc3c2O)cc1Cl 4261839 AYHLSSSEVIQUHA-VHEBQXMUSA-N 458.857 3.813 10 40 JHCB Nc1c(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)ccc2c1C(=O)c1ccccc1C2=O 9373643 NBKGMDHJHMFVQC-UHFFFAOYSA-N 483.505 3.963 10 40 JHCB COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 10383460 YEJAZPKKMNSGDK-UHFFFAOYSA-N 492.553 3.510 10 40 JHCB Cc1cc(C)cc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 13647828 MKCNTEPIGBJCRD-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 22929786 UQZPPPXGJFEGNF-VWLOTQADSA-N 473.650 3.756 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Br)cc1 408796603 ARVHUTLNFFUWEQ-UHFFFAOYSA-N 479.714 3.830 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408848639 RMLQRIHEUBVYTL-UDWIEESQSA-N 491.431 3.988 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408913143 STMDGWPQJIQORX-VGOFMYFVSA-N 451.331 3.838 10 40 JHCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1 8739481 CVZGAXVWPMDOKG-SDQBBNPISA-N 462.212 3.578 10 40 JHCB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 9445045 YXOOGDURLPNLJH-FQEVSTJZSA-N 460.456 3.809 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3C3CCCC3)CC2)cc1 13503870 WHNYQTMECJHEHR-VWLOTQADSA-N 461.614 3.774 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1 19826272 PEIXEVGHFKTHBI-SANMLTNESA-N 499.619 3.858 10 40 JHCB O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 33721399 UZPOJCMYQNVGKX-UYRXBGFRSA-N 492.875 3.727 10 40 JHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102843862 BJJVWVVNARMKBX-YTFSRNRJSA-N 458.474 3.712 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc(F)c2)c1 408886869 JMWAMSWJAKVRFJ-CIAFOILYSA-N 462.433 3.785 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)C(=O)NC2=S)cc1 409217318 OZMASKGVHQXNDD-DEDYPNTBSA-N 475.526 3.632 10 40 JHCB COc1ccc(OC[C@H](O)Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 604404407 MYCHJSWBTZRCIA-MRXNPFEDSA-N 487.508 3.679 10 40 JHCB biogenic COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc(OC)c1OC 1801906 OJKFQJFOXPXHEU-LDADJPATSA-N 474.560 3.648 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1 408960522 GHYDNUQLWPACGQ-STZFKDTASA-N 463.584 3.906 10 40 JHCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1C 409272926 UJQQEDOSRSMKDQ-UHFFFAOYSA-N 478.357 3.542 10 40 JHCB COc1ccc2c3c(n(CCn4c(CO)nc5ccccc54)c(=O)c2c1OC)-c1ccccc1C3=O 604405967 VCNQWWRXKXBRML-UHFFFAOYSA-N 481.508 3.772 10 40 JHCB biogenic COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 1802053 SXQHJEJEQMJASD-PDGQHHTCSA-N 472.544 3.632 10 40 JHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1)c1ccc(F)cc1 12605751 DHJHKCRRCCXHLF-UHFFFAOYSA-N 460.430 3.845 10 40 JHCB O=C(O)CCN1C(=O)/C(=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 13556578 JYKBYUOIGFNNKM-PTNGSMBKSA-N 487.946 3.816 10 40 JHCB COc1cccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1OC 96221052 OYGBCIRIGJZDBY-CYBMUJFWSA-N 492.436 3.741 10 40 JHCB biogenic CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408819226 YQKZNLULBPOVQI-GZTJUZNOSA-N 459.296 3.913 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c(C)c1 409264278 QIBKYWKBEDJPDU-JCMHNJIXSA-N 469.497 3.987 10 40 JHCB CN1C(=O)C(=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 3097195 PAJMEQSDMBGLRI-UHFFFAOYSA-N 499.486 3.698 10 40 JHCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCCO2 9580429 IKYYCGCXIDBFNC-RUZDIDTESA-N 488.500 3.974 10 40 JHCB COc1ccc(N(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)Cc2ccccc2)cc1 10395231 NIWQMLSEOCAADB-UHFFFAOYSA-N 453.564 3.605 10 40 JHCB N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084511 YFVUFPJIUNOVQN-IVTJCWFQSA-N 481.965 3.828 10 40 JHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 225558156 WIIZKCJDDZYLRD-LJQANCHMSA-N 464.031 3.903 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC 408818294 XKTIATMVQZOLNW-OVCLIPMQSA-N 459.842 3.712 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 408896575 OLYYYWMGDJKBHT-PXLXIMEGSA-N 476.510 3.738 10 40 JHCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1)Nc1ccc(F)cc1 408914344 XRFJRPZUUPFOOW-CIAFOILYSA-N 477.423 3.649 10 40 JHCB CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 1117963 RLTVWIUZNYQOCN-NVMNQCDNSA-N 480.571 3.565 10 40 JHCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 1876728 VWATZUZBTSAAIS-HAVVHWLPSA-N 492.576 3.887 10 40 JHCB CCc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 10113317 BNNMECXESQDWBG-UHFFFAOYSA-N 493.629 3.597 10 40 JHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223673180 OBYNUSROOTZQMY-PKTZIBPZSA-N 450.564 3.725 10 40 JHCB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408671631 ZPKJANXQRJTHHE-TZRRMPRUSA-N 488.584 3.856 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)O)cc1 409186396 BNTCTUNELKGTJJ-XSFVSMFZSA-N 472.453 3.639 10 40 JHCB COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O 1009701 SZESRDLHBLPEJF-PDGQHHTCSA-N 453.545 3.604 10 40 JHCB C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1282013 ZDMYNNPYCMANND-RRGFCBMYSA-N 458.948 3.931 10 40 JHCB COCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2433620 VOHLJYXDYWMYJI-JXAWBTAJSA-N 483.571 3.733 10 40 JHCB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135574 XWRMMBXSAKOUSA-QFIPXVFZSA-N 452.624 3.683 10 40 JHCB COc1ccc(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9408753 FXAIMPPUQMOFQV-XZOQPEGZSA-N 464.031 3.760 10 40 JHCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)O 100321294 SNCVEVNZCURINY-NVNXTCNLSA-N 492.269 3.569 10 40 JHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@]2(C1)CN(c1ccccc1)C(=O)O2 257220671 DLQYPEZBFLLZOL-SANMLTNESA-N 465.550 3.554 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)c(OC)c1 408939991 JBLQYTFEBINNMO-LDADJPATSA-N 496.317 3.923 10 40 JHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 409039129 WKJWUYPEMDIKJN-UQCOIBPSSA-N 458.255 3.710 10 40 JHCB O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 2254842 PBNHKXOFFMEOMP-YPKPFQOOSA-N 461.318 3.875 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 12609047 KKKKQVSIMVOTAE-LJAQVGFWSA-N 484.600 3.603 10 40 JHCB CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2ncc(-c3ccccc3)n2C)CC1 12627589 NAMKOWBKYCUZFP-UHFFFAOYSA-N 477.634 3.525 10 40 JHCB COc1cccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3CCc3ccccc3)CC2)c1 13505479 VWCMQRBNTLCVSG-NDEPHWFRSA-N 497.647 3.902 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(I)c1O 38178282 JCZPMAKEBAWKKB-QPEQYQDCSA-N 494.241 3.608 10 40 JHCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 59639169 XYCRUPOFPWIDAO-UYRXBGFRSA-N 477.429 3.502 10 40 JHCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 409131018 JGTGJEDGDDLASZ-PXNMLYILSA-N 483.409 3.815 10 40 JHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 1100012 IKLLEPFCHMJQSG-JCMHNJIXSA-N 455.470 3.975 10 40 JHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc2c(c1)OCO2 223620994 MWDFPXSVPVATGS-PKTZIBPZSA-N 450.564 3.573 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 408743206 ZQNHMAMVCJOMMM-MDWZMJQESA-N 480.112 3.887 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c(OC)c1 409099873 MIUOEPDGEXQERE-GZTJUZNOSA-N 452.463 3.934 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2309011 HWENAFYXPGFNEV-ZDQFFALBSA-N 489.641 3.988 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2668454 FVYQEDPRUSXOIL-SDXDJHTJSA-N 472.636 3.621 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)NC1=S 6288644 GQDINBULKNWSMK-LFIBNONCSA-N 471.941 3.755 10 40 JHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(OC)c1O 9235409 FCOUOTRZKDDTLF-CXUHLZMHSA-N 464.952 3.917 10 40 JHCB CN1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12C(=O)Nc1ccccc12 13146626 UKKCOOAIIPKUHB-BAEUJYSMSA-N 486.622 3.758 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 20287464 KBYZYVOCAXLWFK-JCMHNJIXSA-N 487.545 3.588 10 40 JHCB COC(=O)c1ccccc1N/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 101485328 ZZHVVCSAIVAOTA-CPNJWEJPSA-N 458.561 3.847 10 40 JHCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 9210284 KNQWXAOZKKOBGV-LGMDPLHJSA-N 488.635 3.695 10 40 JHCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Br 9281338 JFEZEHCVZXWOLA-KBFOAYOGSA-N 455.341 3.578 10 40 JHCB COc1cccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3CCc3ccccc3)CC2)c1 13505480 VWCMQRBNTLCVSG-MUUNZHRXSA-N 497.647 3.902 10 40 JHCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 408879224 BJFIYVBAPZHYMD-RIYZIHGNSA-N 496.688 3.928 10 40 JHCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 8766319 IBAOSWWDOOWEHB-PGMHBOJBSA-N 454.617 3.998 10 40 JHCB Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9131017 AQNSVAKSWFQPHO-UHFFFAOYSA-N 491.466 3.703 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=N)N21 20205840 MBZAZXVDGLLTFC-QNPDVEALSA-N 474.951 3.540 10 40 JHCB Cc1cc(C(=O)COC(=O)C2(c3ccccc3)CCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21739082 SYNDHSNZPWDEGJ-UHFFFAOYSA-N 466.559 3.589 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260805326 AWFNXBUYFKZDKM-PMACEKPBSA-N 487.666 3.992 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1C 9310416 URUZMGUDFLTHJC-VCHYOVAHSA-N 456.545 3.607 10 40 JHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008086 BMSUKBINUBSVJM-QHCPKHFHSA-N 455.002 3.923 10 40 JHCB COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)NC4CCCCC4)n3)CC2)cc1 16978503 OMQWTOAQANHLAV-UHFFFAOYSA-N 471.627 3.887 10 40 JHCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(O)c(O)c2)c1 21659043 KBMIKGSUKOFFDC-HSZRJFAPSA-N 480.524 3.929 10 40 JHCB CCc1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41085095 PUULNIVBOSDXED-FOSZEWQZSA-N 462.579 3.802 10 40 JHCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 100155790 OXZGSFKSBBACKX-HBMCJLEFSA-N 459.404 3.660 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccccc1 108987692 ONCRVMRXFFLOGM-XSFVSMFZSA-N 456.454 3.889 10 40 JHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 409020677 RZRSRKLLVXRQIG-LPYMAVHISA-N 486.590 3.785 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)C(=O)NC2=S)c1 409214653 ZEOIWJVGVYGGSC-DEDYPNTBSA-N 459.527 3.932 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@H](C)C(=O)O 409240316 GMSUQDADFRVJCL-SEEODLKFSA-N 495.340 3.685 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccc(C(=O)O)cc4)c4ccccc34)[C@@H]21 1616044644 MURLGNJRJVUQNT-HHHXNRCGSA-N 494.551 3.803 10 40 JHCB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 9118683 ZXGVQXWLWOMBNF-SANMLTNESA-N 459.502 3.863 10 40 JHCB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C 13646424 GUFMRPGCPWPWOO-UHFFFAOYSA-N 479.602 3.871 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 15013004 WTQFUFXXTOJPGO-MOSHPQCFSA-N 477.517 3.851 10 40 JHCB COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1O 16194938 YSJGKBUGAOZUGL-QPEQYQDCSA-N 462.212 3.578 10 40 JHCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1 409225121 PCFLPPOYXGGQMF-JCMHNJIXSA-N 455.470 3.679 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)NC1=S 2264115 OBMXAQGZCSXHJL-OQLLNIDSSA-N 453.907 3.519 10 40 JHCB Cc1c(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c(=O)n(-c2ccccc2)n1C 26532010 PZDSFWGKGQUWCU-SFQUDFHCSA-N 452.517 3.798 10 40 JHCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409329663 GTGCXBJQGFOTRP-WOJGMQOQSA-N 472.504 3.745 10 40 JHCB O=C(O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O 5955682 ZPAOCLAKRURAOZ-UHFFFAOYSA-N 484.542 3.691 10 40 JHCB endogenous,in-man O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCN(CCO)CC3)nc2-c2ccc(O)cc2)cc1 16429350 DYOWRWWSZHKGBI-WCWDXBQESA-N 454.512 3.954 10 40 JHCB Oc1ccc2cc(Br)ccc2c1CN1CCN(Cc2nnc3n2CCCCC3)CC1 22928455 JXPOGZKCAMMPQW-UHFFFAOYSA-N 470.415 3.944 10 40 JHCB Cc1cc(O)c(S(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 26786897 WJGPOHXODXBGFY-UHFFFAOYSA-N 462.505 3.551 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 32939163 ODIQKTFBQWJCEV-QKSFETHESA-N 489.641 3.988 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 33393311 GANYSKCLZOSUTN-ZHZULCJRSA-N 473.441 3.674 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCCOc1ccccc1OC 33457428 LNOAFBNCGJHMLY-ZNMYEUQISA-N 466.519 3.801 10 40 JHCB COCC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 59596875 VGDYFQVJJFDOFQ-PQMHYQBVSA-N 493.697 3.962 10 40 JHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 96306234 WQGDRKRCERQHGX-JVXNRYDGSA-N 482.879 3.637 10 40 JHCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408769302 QPNKLMNPUAGGOF-IBNIFWCESA-N 490.556 3.864 10 40 JHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCCC3)ccc21 13008022 AYQLYWPRXOZWSV-QFIPXVFZSA-N 474.527 3.980 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 16700519 JTSOONOKRIUKBG-HJQWCYIXSA-N 472.636 3.616 10 40 JHCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)cc1 27025414 QWHGJQQWJBPSFU-QFVBLGFASA-N 496.032 3.908 10 40 JHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Br)o3)C2=O)cc1 408850122 GHJJJLWUEIXQPZ-KPKJPENVSA-N 484.100 3.870 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408937360 IZXJVAJCLCZADO-DEDYPNTBSA-N 460.417 3.769 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 408946577 APFREFILSCBDDY-YBFXNURJSA-N 460.417 3.800 10 40 JHCB CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccc(Br)cc23)SC1=S 409127985 HHEJZPKXSZQMMS-CGWJPAAUSA-N 494.436 3.530 10 40 JHCB O=C(NCc1ccc(F)cc1)[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1cc(Cl)ccc1O 1848357531 TZFYITFCRSDAGO-YFNKSVMNSA-N 472.919 3.969 10 40 JHCB COc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)CC2)cc1 8671598 PROGPZHETJREQH-UHFFFAOYSA-N 475.574 3.766 10 40 JHCB aggregator Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408896817 TXQWIZHVNKNPOF-HMMYKYKNSA-N 476.510 3.738 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)o2)c(C)c1 409169324 XKXWCGXWRVUTIL-QGOAFFKASA-N 476.510 3.882 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OC(C)C 409374313 METUFERKCRSDMF-OVCLIPMQSA-N 477.311 3.890 10 40 JHCB CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)sc2c1CCCC2 631979 PTNSVNWVSZUQOG-UHFFFAOYSA-N 485.631 3.810 10 40 JHCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OS(=O)(=O)c2ccccc2)cc1 2142420 KCNLIRYUOYPZHJ-UHFFFAOYSA-N 456.589 3.870 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(Nc4cccc(OC)c4)s3)CC2)cc1 9220865 PCNLVCXTTMAGBI-UHFFFAOYSA-N 471.608 3.740 10 40 JHCB Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 12589842 LTXCLLVSGFVQMK-JOCHJYFZSA-N 465.623 3.942 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3Cc3ccccc3)CC2)cc1 13504657 ABMQYUCKRRIVDF-AREMUKBSSA-N 470.577 3.650 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1OC 15013379 PINRGVHBVPIBOG-LUAWRHEFSA-N 451.262 3.686 10 40 JHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccccc3)C2=O)o1 34718885 QDCYWEDFOOBVIR-BKUYFWCQSA-N 475.501 3.804 10 40 JHCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 38487584 CNQQSGNCLGVZSZ-UHFFFAOYSA-N 489.594 3.967 10 40 JHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)c1 408741129 GWAXIVFUGCQZNA-UCQKPKSFSA-N 487.512 3.946 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 409257570 TVTZYKAPLZRNTB-ZHZULCJRSA-N 487.537 3.544 10 40 JHCB O=C1NC(=S)S/C1=C/c1cccc(OC(=O)c2ccccc2I)c1 1416059 GTFSOCNPLYEOCF-NTEUORMPSA-N 467.309 3.999 10 40 JHCB CN(C)c1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)cc1 9382217 APNDFSQVUPPMMM-NRFANRHFSA-N 452.536 3.709 10 40 JHCB COc1cc2c(cc1NCC(=O)Nc1cccc(S(=O)(=O)N3CCOCC3)c1)oc1ccccc12 11619225 KUAKERVBSDZWRR-UHFFFAOYSA-N 495.557 3.666 10 40 JHCB CC(C)CCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 13505354 SCYQCNKNTMPDAJ-XMMPIXPASA-N 451.594 3.836 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 41077694 PPAUHOZTFVCQBM-VUEOATCUSA-N 495.508 3.734 10 40 JHCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 409086973 XQOQPHYRONPBKZ-GZTJUZNOSA-N 480.951 3.613 10 40 JHCB Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1C 409265994 VOFLDCDDICLPGX-QNGOZBTKSA-N 469.497 3.987 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)NC1=S 665794 KKHGOGSOYPFGHS-SFQUDFHCSA-N 462.483 3.793 10 40 JHCB COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)c1 13509841 MTMGLTAPFJAQPJ-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104201088 UNLYLPKSJRMDTM-QPLCGJKRSA-N 462.495 3.590 10 40 JHCB O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(F)cc1 108086263 USGKDXDAXCRSDN-STZFKDTASA-N 475.501 3.675 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 205729320 PTOMKQVMXBKTPW-YBFXNURJSA-N 456.520 3.869 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccccn4)c4ccccc34)[C@@H]21 1616044720 VAEDRVZCECDAOB-HHHXNRCGSA-N 465.557 3.542 10 40 JHCB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 1480756 CBIORHWQXDOQIW-UEXNTNOUSA-N 480.615 3.587 10 40 JHCB COc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 4010482 ITCQMQJPRGFTLU-VJBWXMMDSA-N 467.477 3.699 10 40 JHCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 9360519 OOSUKMUSNAOKAI-ANHVYCJYSA-N 498.674 3.865 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 13505300 ISGOSBFQSZBCLT-DEOSSOPVSA-N 477.613 3.900 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Br)c1O 16162415 UNICJAOVCBHQLB-NTEUORMPSA-N 459.296 3.782 10 40 JHCB COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 38487581 IOLAFFLBVBYDFD-UHFFFAOYSA-N 487.603 3.529 10 40 JHCB Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1 41077870 JGFMXVZSKWUNOF-MHHBVAOCSA-N 477.571 3.619 10 40 JHCB O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1N1CCN(c2ccc3c(c2)OCO3)CC1 72242790 ASNDZUSYVJZVQI-UHFFFAOYSA-N 472.461 3.762 10 40 JHCB COc1ccc(-c2cc3ccc(O)c(CN4C[C@@H]5C[C@@H](C4)c4cccc(=O)n4C5)c3oc2=O)cc1 100655750 NWROFGNHEYATEJ-PXNSSMCTSA-N 470.525 3.955 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 223690893 IKOVEEOXFQCKMO-GOTSBHOMSA-N 478.574 3.723 10 40 JHCB C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 260759303 AKDLZARBJJSTKA-MOPGFXCFSA-N 461.603 3.701 10 40 JHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 408991640 OQPCMCHAHFEHMK-FOWTUZBSSA-N 462.512 3.972 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OC(C)=O 8431847 IZBZNPURYAFBHY-LZYBPNLTSA-N 473.279 3.887 10 40 JHCB CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819428 GGCWONLCXQAMAS-MOSHPQCFSA-N 456.589 3.954 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCCC3)ccc21 9165140 CMMOGLXVFOCDPQ-XMMPIXPASA-N 469.029 3.682 10 40 JHCB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 9439195 NFHMRCLJWHYECB-UHFFFAOYSA-N 487.553 3.587 10 40 JHCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H](CO)Cc1ccccc1 10232955 JYEKEIXDYCFYEZ-ZJYZBMPFSA-N 461.008 3.651 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504777 OPLKFRWDMQYRFS-VWLOTQADSA-N 476.531 3.920 10 40 JHCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 16741257 HLCWEPYEJOOPCS-AQTBWJFISA-N 466.563 3.835 10 40 JHCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccccc3)C2=O)c1 408528468 BIZYKRXPTWZSPW-CWTLDBBMSA-N 468.465 3.980 10 40 JHCB COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1902011 ZIDLALNAVYXVMZ-VHEBQXMUSA-N 487.990 3.543 10 40 JHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)NC[C@@H]1CCCO1 9090341 UBLHJULFIGQXEU-HNDQUVLASA-N 456.536 3.565 10 40 JHCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O 35851572 KMMWZRLEGSDVLQ-PBXQCXKZSA-N 489.622 3.980 10 40 JHCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 95959938 LRGAGQXSEIRUFN-PXLXIMEGSA-N 487.585 3.716 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)C(=O)NC2=S)c(OC)c1 409090504 QYPJVLXCYZANFX-XDHOZWIPSA-N 476.510 3.998 10 40 JHCB O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4cccs4)CC3)c(O)cc(O)c12 2048468046 RNPMZVGNPDWZAV-UHFFFAOYSA-N 464.543 3.956 10 40 JHCB CCOC(=O)[C@H]1[C@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 6144502 NSBZBUNSBUCZCD-DXIQSLLYSA-N 481.540 3.662 10 40 JHCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 8819389 DXGGEWBSSVXKTO-UNOMPAQXSA-N 486.571 3.720 10 40 JHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCCCC3)ccc21 13008142 YRAXFAHZXPDPGN-QFIPXVFZSA-N 474.527 3.980 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 18178207 QXBFNCLYLHXWGK-VJBWXMMDSA-N 451.478 3.999 10 40 JHCB O=C(O)CN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 59514593 GHYLAJVFVPSXKY-VIZOYTHASA-N 461.433 3.581 10 40 JHCB COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)c1 101130198 MTMGLTAPFJAQPJ-ZRBLBEILSA-N 467.477 3.699 10 40 JHCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223291224 NPWHXZVWBBNVQZ-BJKOFHAPSA-N 477.634 3.810 10 40 JHCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 2195836 NXMWDIAMHSUDBC-SUCHYCSPSA-N 460.625 3.841 10 40 JHCB O=C1[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 8498158 JQFKTQNTCKOMTK-SGNDLWITSA-N 478.504 3.881 10 40 JHCB Cn1c(-c2ccccc2)cnc1SCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9338281 LCYNIWGPRYDGSN-UHFFFAOYSA-N 497.580 3.706 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(F)c1 9378904 UYMBRZFTFMPZKQ-RUZDIDTESA-N 463.465 3.612 10 40 JHCB COc1ccc(N2CCN([C@@H](c3cccc(OC)c3OC)c3nnnn3CCC(C)C)CC2)cc1 13505377 USHXJZYBZSYNQO-DEOSSOPVSA-N 480.613 3.657 10 40 JHCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c2C)cc1 40158987 FBPQSDSKNNQHGH-GBXCKJPGSA-N 456.564 3.673 10 40 JHCB CCOC(=O)[C@@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 108120414 GKNRONTWPLRAFU-VKINRBECSA-N 473.529 3.886 10 40 JHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 408919244 VFLMMRHNZUTVGO-WQRHYEAKSA-N 450.447 3.924 10 40 JHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 408939478 SRXHTAGWZKZUHK-CPNJWEJPSA-N 461.405 3.979 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c(OC)c1 409096670 DTSDQXJTHMGZSZ-LDADJPATSA-N 469.538 3.665 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409236028 RFJWBVUOCRWSMI-NTEUORMPSA-N 475.364 3.996 10 40 JHCB CCCCN1C(=O)/C(=C\Nc2ccsc2C(=O)OC)C(=O)N(CCc2ccccc2)C1=O 8431325 CHQGXDKECYAFGE-BMRADRMJSA-N 455.536 3.664 10 40 JHCB CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 8858611 MVJLUUFDKBVMML-CYVLTUHYSA-N 480.615 3.969 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 9222091 PXVONRPYAIXWJM-UHFFFAOYSA-N 499.614 3.638 10 40 JHCB CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)c(OC)c1 33336441 IAKUGJMOPAAMKV-LDADJPATSA-N 491.329 3.607 10 40 JHCB COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c1 100542049 MTMGLTAPFJAQPJ-VABKMULXSA-N 467.477 3.699 10 40 JHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCOCC4)cc3OC)N21 260772191 MQRUUFDXUPESPC-AVIJNYRZSA-N 454.596 3.915 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)S1 408759904 NSTACLRGECSEAV-NDENLUEZSA-N 452.513 3.714 10 40 JHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 408847086 PBSVCYIOBFXGNX-NTEUORMPSA-N 464.703 3.962 10 40 JHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc1 408986548 MWZSYPOVSILVBL-OQLLNIDSSA-N 459.296 3.695 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 409071301 JFCHZIWIUGROOC-HMMYKYKNSA-N 492.509 3.519 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)cc1 409229884 ASCMCGNCKMQKKQ-HYARGMPZSA-N 474.517 3.643 10 40 JHCB COc1ccc(OC)c(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 8870239 ZCXWRXIGDQYBPS-LZYBPNLTSA-N 462.465 3.749 10 40 JHCB O=C([C@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)c2ccccc2O1)N1CCCCC1 14135614 BFPVAPVCNLIBCA-YVNCXZRQSA-N 450.926 3.808 10 40 JHCB CCCCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1C 33631977 MGXSFBBLYMCXCQ-AIMKKSDKSA-N 476.627 3.591 10 40 JHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 100155795 OXZGSFKSBBACKX-NJYVYQBISA-N 459.404 3.660 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408778919 MVTOCWPILHYRJB-IWIPYMOSSA-N 486.524 3.848 10 40 JHCB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1238124 BWAOYFACBZEQTF-UHFFFAOYSA-N 490.535 3.715 10 40 JHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 9056471 DYPNGICVIQPDQF-WUXMJOGZSA-N 466.085 3.584 10 40 JHCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c(OC)c1 16914829 LVXHYVGAHUASCI-VWLOTQADSA-N 495.645 3.848 10 40 JHCB CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=N)N21 20206882 GOKNEEOLUYWKNO-OOEDSJJISA-N 469.592 3.722 10 40 JHCB COc1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)CC2)cc1 67262281 DHTGAHZUCZKBCB-UHFFFAOYSA-N 485.588 3.527 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223708069 HULSDJMEMCUWAN-RPWUZVMVSA-N 492.601 3.811 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)cc2)C1 260838903 DXAUURNVFQHQAC-SFHVURJKSA-N 464.031 3.654 10 40 JHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Br)cc1 408550132 DXCZMZDOLNAXCH-WQLSENKSSA-N 454.708 3.985 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 409241715 TYLAOUNGNZCDHH-HMMYKYKNSA-N 487.512 3.946 10 40 JHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 13371385 AELDCQLGZHEKEM-WUXMJOGZSA-N 482.153 3.749 10 40 JHCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 59198193 BNEFCKAFGVBEOC-MHWRWJLKSA-N 459.252 3.508 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2OC)cc1 408534531 MGQFADSNCREHPD-JWANLJSNSA-N 490.512 3.573 10 40 JHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Br 408901770 ZWMHUPBXVYXHBB-UKTHLTGXSA-N 450.086 3.878 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409211650 MKXFPRKPFGDJBU-DEDYPNTBSA-N 478.961 3.974 10 40 JHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 2990613 LNANDHMVIZYOMW-XDHOZWIPSA-N 463.490 3.763 10 40 JHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 8819313 VKOXYQQITMQIBW-YVLHZVERSA-N 459.505 3.539 10 40 JHCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 9259917 OHCHHUHHKIWSSY-HZHRSRAPSA-N 469.497 3.987 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC 35152532 UBCNCRKAHHLFBJ-LCYFTJDESA-N 451.704 3.971 10 40 JHCB Cc1cc(-c2csc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n2)c(C)n1-c1ccccc1 102812340 HKMWQZDSVQYWRS-BSWISCRUSA-N 472.570 3.963 10 40 JHCB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)CC2)cc1 225499915 ICESRTMCMPVRJP-HXUWFJFHSA-N 485.650 3.964 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)SC1=S 409149173 YMGURSMLHDWEQD-FPXKJXHESA-N 457.621 3.890 10 40 JHCB CCN1C(=O)C(=Cc2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)C(=O)N(CC)C1=S 409197244 ZPCTYVCVTXEHMI-UHFFFAOYSA-N 473.620 3.938 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1C 409365574 YQHOGFCWEBTRSB-KGENOOAVSA-N 451.548 3.815 10 40 JHCB O=C1C[C@@H](N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(F)cc1 9833257 SSNBKXTVRXTIGT-BDLODKHMSA-N 451.504 3.840 10 40 JHCB COc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2cccs2)c1O 10233938 RIZNRUVOOAHJBR-SFHVURJKSA-N 471.560 3.825 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(O)=NC1=S 16974179 CTNOOZWFQZTMBJ-ONDHQXCVSA-N 477.542 3.757 10 40 JHCB CCCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccsc2c1=O 57426419 PJSNRCLRGSCFML-UHFFFAOYSA-N 472.636 3.708 10 40 JHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 100414505 YOZRGPRGGUCZAB-FDFHNCONSA-N 482.448 3.598 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cccc(C)c1 408534966 NDDRNMMPGMAABU-XMHGGMMESA-N 486.480 3.898 10 40 JHCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408802492 YIDRCKOZRJAJPG-CXUHLZMHSA-N 474.267 3.811 10 40 JHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)NC1=S 2065756 DQIDRYTUVQVPAV-SFQUDFHCSA-N 462.483 3.793 10 40 JHCB CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)SC1=S 2962097 JCSCIXCELUUPFP-WJDWOHSUSA-N 480.545 3.592 10 40 JHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCCc1cccs1 9588285 RCTLANDYTXYDQH-UHFFFAOYSA-N 453.903 3.693 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504778 OPLKFRWDMQYRFS-RUZDIDTESA-N 476.531 3.920 10 40 JHCB COCCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C 16387321 OYARFSJTFPTBHU-LGMDPLHJSA-N 489.981 3.670 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 16688958 XFWBKHIBEISXCQ-ODLFYWEKSA-N 459.545 3.959 10 40 JHCB COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 16733022 UJVFIAOAPRTCAI-RGEXLXHISA-N 478.599 3.705 10 40 JHCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N21 20324707 ASOAETPZMJVZED-JMPIQFJJSA-N 480.980 3.847 10 40 JHCB CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C2=O)cc1 32597570 OZHGHNMJXNCJEN-UYRXBGFRSA-N 498.655 3.842 10 40 JHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 41078390 NFJFRIQBVUJNNO-XPERVBFOSA-N 472.251 3.720 10 40 JHCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O 102615397 PQNDGUIJNFNJGV-NZHZHZHDSA-N 466.881 3.502 10 40 JHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1 205860073 CLCPPUPFWVUPGS-KGENOOAVSA-N 481.574 3.930 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223185706 BGQRKZJDAZEEAI-CLJLJLNGSA-N 491.661 3.890 10 40 JHCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408537792 XHRRVZZHCFTBJC-QNGOZBTKSA-N 456.454 3.889 10 40 JHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408845690 HDMJSLKCDYSOOZ-FYJGNVAPSA-N 461.405 3.979 10 40 JHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409021850 BWOHOIOCDIFZSE-LDADJPATSA-N 452.264 3.612 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccccc1 409058350 MTUOFHZZZYLAHI-LBKCIFGTSA-N 487.625 3.707 10 40 JHCB O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 2446977 SRMDTIIGNZBGNS-AVIKPIRVSA-N 472.931 3.572 10 40 JHCB Cc1ccc(NC(=O)COc2cc(N(C)C)ccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 33778052 KXKOFJHYCKOJDJ-HAHDFKILSA-N 470.529 3.540 10 40 JHCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(Br)o4)C(=O)N=C3S2)cc1OC 34864161 IHONNFYZYIQGKY-HGWLQRDPSA-N 475.324 3.921 10 40 JHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 41082445 BYRDHDDVVKTWCT-BQYHCNFISA-N 463.490 3.920 10 40 JHCB CCn1c(CN(C)Cc2ccc(N(C)C)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 57273642 XAQZFHNSTLXJAH-UHFFFAOYSA-N 469.655 3.929 10 40 JHCB Cn1c(Sc2ccc(C=C3C(=O)OC(C)(C)OC3=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 59488549 YAIVMBHASDLQLR-UHFFFAOYSA-N 466.475 3.761 10 40 JHCB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100692326 UMLULVIXRRRYMS-XPWALMASSA-N 467.477 3.780 10 40 JHCB O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(F)cc1 102777481 DXSRGCQCCJDVEK-UKWMHNODSA-N 499.498 3.529 10 40 JHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408811387 VKBJSCKBTYZMEM-MHWRWJLKSA-N 474.267 3.813 10 40 JHCB Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)NC3=O)c(=O)n2c1 13617286 LPVNBBPTSWZPIB-ZHZULCJRSA-N 476.627 3.951 10 40 JHCB Cc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33457530 OQOMSWPBPNVJNG-BOPFTXTBSA-N 453.524 3.699 10 40 JHCB CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 108036718 AFNWZCZUFVWQLZ-LCYFTJDESA-N 451.704 3.971 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(OC)c3)C2=O)cc1 408901776 ZYPUMDZFGLHYPP-YBEGLDIGSA-N 489.322 3.922 10 40 JHCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 409038809 BFUCQGPCAARKPN-RCCKNPSSSA-N 455.470 3.679 10 40 JHCB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 1480759 MNFNWOKNFOGWFD-HPKGMJOESA-N 498.605 3.726 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)CC2)cc1 4057850 UFTMMFMDMLWONB-UHFFFAOYSA-N 486.601 3.779 10 40 JHCB CCCn1c(CCC(=O)N[C@@H](C)c2ccccc2O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 12520496 GNIROCXJAPQHNJ-SFHVURJKSA-N 484.622 3.746 10 40 JHCB Cc1ccc(-n2nnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)c1 12586683 CFROAVASNIBLHC-QFIPXVFZSA-N 480.638 3.645 10 40 JHCB CCOc1ccc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 13061052 PWDYMWZSICNIIV-UHFFFAOYSA-N 458.514 3.940 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 13672137 PLQDUSARLYJTOS-AREMUKBSSA-N 477.586 3.820 10 40 JHCB CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 15230917 IGIPRIFDZBDJTD-PINLSGDHSA-N 497.809 3.574 10 40 JHCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 20206414 UBXLCMMSONURFQ-FREPTNQOSA-N 475.983 3.677 10 40 JHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30848352 RKYIVBFUEHDUJP-DEOSSOPVSA-N 469.651 3.578 10 40 JHCB CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 108120405 VCOWPIIKGMUYHA-PTNGSMBKSA-N 462.287 3.930 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408796061 DBEZJDXXZZLHSZ-CIAFOILYSA-N 488.412 3.748 10 40 JHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 10113572 JNQZJUMQNAOZOJ-UHFFFAOYSA-N 456.395 3.676 10 40 JHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 12363184 KUPOEJRJGMYSJK-UYRXBGFRSA-N 476.485 3.934 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1 22929313 WSMUYDJLCPMXNZ-AREMUKBSSA-N 477.632 3.966 10 40 JHCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O 102615391 PQNDGUIJNFNJGV-WTQUMQLASA-N 466.881 3.502 10 40 JHCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223191760 IKNMNLHPCPBYSZ-CLJLJLNGSA-N 490.677 3.887 10 40 JHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409091394 QFHSKMHSMYKDDY-WQRHYEAKSA-N 490.384 3.667 10 40 JHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc(F)c1 409208867 APXLQZVHPLAECC-SRZZPIQSSA-N 450.445 3.904 10 40 JHCB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC 409210796 GTYMGMGIMYSNHN-VCHYOVAHSA-N 474.516 3.951 10 40 JHCB Cc1cc(/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2155256 XTPDRCNAOTUJMA-KGENOOAVSA-N 459.527 3.966 10 40 JHCB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C 13071732 HDBJBHCOOWXSHN-UHFFFAOYSA-N 455.514 3.588 10 40 JHCB COc1ccc(N2CCN([C@@H](c3ccccc3Cl)c3nnnn3Cc3ccco3)CC2)cc1 13505121 BDJZKBMNJDEJPM-QHCPKHFHSA-N 464.957 3.888 10 40 JHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC(=O)NCCc1cccs1 23328512 PSBASCGVOGHZCC-UHFFFAOYSA-N 472.592 3.563 10 40 JHCB COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)ccc1O 96115037 YRMLNHXDZAJKMI-ZDUSSCGKSA-N 462.410 3.732 10 40 JHCB biogenic CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 225372869 SDVQBOWVQMJNMR-UHFFFAOYSA-N 461.603 3.530 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccco1 408537520 VXAGRJFPAZBEDU-QNRVOPOESA-N 464.474 3.548 10 40 JHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c1 409022865 GZQBGDIOLRDXEE-CIAFOILYSA-N 477.517 3.851 10 40 JHCB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 8721677 WYNYCANLYOXRED-WQRHYEAKSA-N 480.868 3.630 10 40 JHCB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 8877037 MNCOXJMSAARCPL-CQSZACIVSA-N 470.437 3.505 10 40 JHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N2CCN(c3ccccc3)CC2)cc1 16914898 SLSJAPZULGQWRP-AREMUKBSSA-N 482.625 3.734 10 40 JHCB CCc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 38487573 DLXPULMMZPFWFU-UHFFFAOYSA-N 499.658 3.760 10 40 JHCB COC(=O)C[C@H](c1cccs1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115683 VQDAYISBOQHSOV-LLVKDONJSA-N 470.455 3.745 10 40 JHCB biogenic COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1OC 409124817 LWQVWKZTGDYHAF-OQLLNIDSSA-N 475.364 3.914 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1 409349760 WBHVKMIHDKUQFH-DHDCSXOGSA-N 450.925 3.609 10 40 JHCB CO[C@@]12C[C@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13 538071 YSEXMKHXIOCEJA-OQHVVPOVSA-N 484.394 3.911 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1OC 8819409 DQONXUQXFWTIJP-DHDCSXOGSA-N 478.621 3.594 10 40 JHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135711 WLBMXVBPLFYLKD-HSZRJFAPSA-N 455.002 3.923 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 16740702 ODIQKTFBQWJCEV-OWXSRONMSA-N 489.641 3.988 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(F)c(Cl)c1 20206398 PNBLNRDWECLPNI-CDLVGDAQSA-N 479.946 3.508 10 40 JHCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 20207373 MEFONMIFJLJWDS-MQIWZSEOSA-N 469.592 3.802 10 40 JHCB COc1ccc(N2CCN(C(=O)COc3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 35537611 LCJNHYUEHOLHEO-UHFFFAOYSA-N 452.942 3.842 10 40 JHCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 41084394 CVEASTNJYNSRHH-NWSLSDTJSA-N 482.997 3.965 10 40 JHCB COc1ccc(-c2cc3ccc(O)c(CN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)c3oc2=O)cc1 85387539 NWROFGNHEYATEJ-FXAWDEMLSA-N 470.525 3.955 10 40 JHCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 95351625 QXBFNCLYLHXWGK-VABKMULXSA-N 451.478 3.999 10 40 JHCB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)s2)c1 260813081 PIDUPRIFUZEBJB-KRWDZBQOSA-N 485.635 3.814 10 40 JHCB CCOc1c(C=C2C(=O)NC(=S)NC2=O)cccc1OCc1ccc(Cl)cc1Cl 829404 BQUZXEQCEYKVBO-UHFFFAOYSA-N 451.331 3.885 10 40 JHCB CCOC(=O)N1CCN(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)CC1 11647129 QTQDGHLZXIWDGN-UHFFFAOYSA-N 454.552 3.584 10 40 JHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 28296959 WQGDRKRCERQHGX-VWBIBIBXSA-N 482.879 3.637 10 40 JHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 33856708 NAIXXIDGLFREKY-NVNXTCNLSA-N 481.808 3.805 10 40 JHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)nc1 223192395 KWKHKZONPNXYMS-IZZNHLLZSA-N 490.677 3.887 10 40 JHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 408949283 ALPBKVDSRBCPRF-CPNJWEJPSA-N 466.291 3.915 10 40 JHCB CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c(Br)cc1O 409009900 AKNABBDIVINNSA-WJDWOHSUSA-N 489.322 3.579 10 40 JHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)c1 409219003 ZMCRNBPVAHANGF-KGENOOAVSA-N 458.543 3.629 10 40 JHCB Cc1cc(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)n1-c1ccc2c(c1)OCO2 13147715 INEUMDAUHHDLOJ-UHFFFAOYSA-N 473.485 3.732 10 40 JHCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1F 18211611 ZPXFEUIGIUOARN-ACRUOGEOSA-N 459.404 3.660 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59435775 QKKQTBTZEANVIM-UYRXBGFRSA-N 452.463 3.527 10 40 JHCB O=C1C[C@@H](c2ccc(F)cc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221680 GDWIULRWBOUZOM-ZDUSSCGKSA-N 450.374 3.863 10 40 JHCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)cc1C 408815772 UYVMXERMEYWVAB-MHWRWJLKSA-N 458.312 3.926 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408947898 DMHMOCWLZFZXSH-YBFXNURJSA-N 487.424 3.569 10 40 JHCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 2182229 UJYHZMNWTKFCRW-FQWPPLDYSA-N 493.654 3.586 10 40 JHCB COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC 3367456 QXJLEZHDRYBRPB-UHFFFAOYSA-N 458.448 3.572 10 40 JHCB COc1cccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 9045551 VSAIVVBTUFNRHL-JCMHNJIXSA-N 460.486 3.623 10 40 JHCB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13648870 VZMPCABGYZHUBP-KRWDZBQOSA-N 450.004 3.801 10 40 JHCB COc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 13774016 PZKOPZAHOJZXFE-HMAPJEAMSA-N 495.491 3.994 10 40 JHCB Cn1c(=O)n(C)c2cc(/C=C3\C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C(F)(F)F)ccc21 16363865 LUSLOCCWGSSSHF-QPEQYQDCSA-N 478.814 3.577 10 40 JHCB COCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 228959182 BOIXKDCOXJAIRB-JURCDDRXSA-N 486.663 3.723 10 40 JHCB COc1ccc(N2CCC(O)(CN3[C@@H](Cc4ccccc4F)C[C@H]4NC(=O)CCCC[C@@H]43)CC2)cc1 257206832 BFBRUSQPCJTBON-RNJDCESWSA-N 495.639 3.910 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408550629 ILYYWMPVCJNZCD-KGENOOAVSA-N 452.580 3.819 10 40 JHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I 408984201 IGKSZNYHGWRTOR-QPEQYQDCSA-N 496.688 3.928 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(C(N)=O)cc4)c4ccccc34)[C@H]21 1616044736 VGNPYTIQDAFEHP-MHZLTWQESA-N 479.540 3.526 10 40 JHCB CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2343857 LXWRGHCQBJQCBB-JXAWBTAJSA-N 450.589 3.879 10 40 JHCB COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc(OC)c1OC 9462522 YXPCHPHBUMVNEK-MFLZVPQXSA-N 466.519 3.719 10 40 JHCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 11917521 GHOMKMJMBBMHNA-OAQYLSRUSA-N 453.564 3.546 10 40 JHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCCC3)ccc21 13007986 GVWPPXGEWUWRQV-JOCHJYFZSA-N 458.965 3.753 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13505482 MBIORFVQZNMCCC-MHZLTWQESA-N 467.621 3.893 10 40 JHCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 16425588 YCOXPIUYOMZLKW-FVJLSDCUSA-N 474.966 3.886 10 40 JHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=N)N21 20207045 BVQKWANUHWANFY-PLLOTBJKSA-N 482.587 3.913 10 40 JHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223689981 JEKQHLIMTXUOOI-DHIUTWEWSA-N 450.564 3.730 10 40 JHCB COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 1642505701 VJUFZJYASJULQO-HNNXBMFYSA-N 458.511 3.662 10 40 JHCB CCOc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc(I)c1O 2194802 WNUBUEKLDGIIPN-UHFFFAOYSA-N 480.254 3.752 10 40 JHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCCC3)ccc21 13007989 GVWPPXGEWUWRQV-QFIPXVFZSA-N 458.965 3.753 10 40 JHCB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(c2ccc(OC)cc2)CC1 13504159 SDIXVSIUGFMIEY-QHCPKHFHSA-N 450.587 3.747 10 40 JHCB NC(=O)[C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)c2ccccc2O1 13986151 HKHBGVPPJWJPLA-CHHLAKQQSA-N 470.554 3.953 10 40 JHCB COc1ccc(N2C(=O)[C@@H]([C@@H]3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1 16693048 MXWDLZYSBSYEHY-IYBDPMFKSA-N 476.626 3.871 10 40 JHCB CN1CCCc2cc([C@H](CNC(=O)c3ccccc3Br)N3CCOCC3)ccc21 16838354 UKQRHSFJVADIGD-QFIPXVFZSA-N 458.400 3.635 10 40 JHCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1Cc1ccccc1 20207453 YZTHOFDZZJMNTK-OOEDSJJISA-N 469.592 3.553 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)CC2)cc1 21702196 GONWEFAQGXBOQM-UHFFFAOYSA-N 479.602 3.548 10 40 JHCB O=C(CSCCc1ccccc1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 95927141 KHFYQCDPFNNSAM-MOSHPQCFSA-N 486.640 3.709 10 40 JHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc2c(c1)OCO2 223620942 MWDFPXSVPVATGS-DHIUTWEWSA-N 450.564 3.573 10 40 JHCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408776380 NZEMYFYYMHMBGJ-OQLLNIDSSA-N 459.296 3.831 10 40 JHCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c2)cc1 408935100 GRICUXYNDROHNT-XMHGGMMESA-N 480.473 3.568 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C 409108799 WARUCEHQOXBEJK-HYARGMPZSA-N 486.528 3.721 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)c(C)c1 409126792 PHSFLEJMOKRDKT-FYJGNVAPSA-N 472.570 3.641 10 40 JHCB NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)sc2c1CCCC2 1787943 JYBJANMWEQIUNJ-VBKFSLOCSA-N 471.629 3.956 10 40 JHCB CCOC(=O)COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC 8444051 QDPSHMDGQVDVDZ-XDHOZWIPSA-N 452.463 3.532 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)CC2)cc1 13680953 LBUDULIKAWXFKR-UHFFFAOYSA-N 497.592 3.763 10 40 JHCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 101968681 LEDSOKMXRZMUEW-IYBDPMFKSA-N 453.491 3.649 10 40 JHCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 108901421 YNGLVFQMPRNHBQ-AAWHYMEISA-N 477.311 3.890 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccccc1 408534879 MTZWLXFOFBCLNS-RCCKNPSSSA-N 486.480 3.980 10 40 JHCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl 408857254 LPILIERUCGSXIC-UXBLZVDNSA-N 485.732 3.942 10 40 JHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1I 408903878 AUBMJPGRIXQHEV-GXDHUFHOSA-N 478.311 3.521 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 409049177 VJHKHWKBTVKFBP-HZHRSRAPSA-N 485.496 3.688 10 40 JHCB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409212227 OTLAQTGIILUCKF-KGENOOAVSA-N 484.599 3.647 10 40 JHCB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1 4001726 NJIZGLKLFKOZDT-UHFFFAOYSA-N 495.601 3.857 10 40 JHCB CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(O)c(O)c2)N[C@@H]1c1ccc(OC)cc1 6227868 AZQWSOIPETVAMG-OAQYLSRUSA-N 456.520 3.560 10 40 JHCB Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c(=O)n(-c2ccccc2)n1C 8820313 JIVCRHDHAHHAMX-NBVRZTHBSA-N 482.587 3.698 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O 9259844 OMMDNROAKSBPSE-SDQBBNPISA-N 496.111 3.592 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 9434914 ZOVPYEHEGUFYCU-UHFFFAOYSA-N 474.966 3.728 10 40 JHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 14132659 SXTPXRLFMLSDFF-NTEUORMPSA-N 459.296 3.831 10 40 JHCB CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 16162429 HNBPKKLLWPOCOF-RCCKNPSSSA-N 486.528 3.569 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)cc1 409207850 BGEJPYFCAFNRDG-KGENOOAVSA-N 458.543 3.629 10 40 JHCB Cc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccc(F)cc1 3252232 OFHDGHFNTKVFPI-UHFFFAOYSA-N 476.508 3.827 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)cc1 9310927 AYMMVVILNKLIGU-WUXMJOGZSA-N 480.112 3.892 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccc(F)cc1 9647285 RLSDLUXXBOJVPQ-SANMLTNESA-N 477.492 3.654 10 40 JHCB CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 13503998 SMEDAMQMTUDEPF-HSZRJFAPSA-N 450.587 3.747 10 40 JHCB CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 34765923 MEDWEIPRFCAFEE-RQNDZEIBSA-N 458.898 3.531 10 40 JHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409014951 QOGCFCADJJMTLP-FVOVHSBVSA-N 473.507 3.999 10 40 JHCB O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 409106135 QLQDEASOKGKHOM-MDWZMJQESA-N 458.257 3.699 10 40 JHCB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)CC1 9434112 YDNZYAJUYMQNMF-MYVPOTEISA-N 473.620 3.525 10 40 JHCB COc1ccc(N[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1 9745475 MPOOXOUZTYBMDP-LJQANCHMSA-N 497.617 3.807 10 40 JHCB CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 13343430 LDGWEJGOUKIFAO-LCYFTJDESA-N 460.371 3.922 10 40 JHCB CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 22665516 KKJSHMMAKPLTHJ-HHHXNRCGSA-N 476.596 3.950 10 40 JHCB COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1OC 28849234 IHHRIHKEJNPDLF-UHFFFAOYSA-N 464.499 3.789 10 40 JHCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1)c1ccccc1Cl 222727676 NDKCRNLEMCOIAZ-UHFFFAOYSA-N 477.999 3.523 10 40 JHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 223673542 ZQAVNNPIDFLVCY-ZEQRLZLVSA-N 492.601 3.811 10 40 JHCB Cc1cc(N2C(=O)NC(=O)/C(=C\NC34CC5CC(CC(C5)C3)C4)C2=O)ccc1Br 408534792 RFJBMFWONLEYJD-GZTJUZNOSA-N 458.356 3.783 10 40 JHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408941371 PGIAMXJKRNRAKF-DEDYPNTBSA-N 488.412 3.748 10 40 JHCB O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1cccc2c1C(=O)c1ccccc1C2=O 8826084 LCRNVGXHSMPFDM-UHFFFAOYSA-N 460.873 3.814 10 40 JHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(C)C)C1=O 8858351 GLXQXWZMLHEPDJ-VKAVYKQESA-N 460.625 3.780 10 40 JHCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(=O)(=O)c3ccccc3)CC2)cc1 10326167 ACECCBCUPQPAMG-FQEVSTJZSA-N 491.613 3.798 10 40 JHCB CN1CCc2c(sc3nc(NNC(=S)Nc4ccccc4)n(-c4ccccc4)c(=O)c23)C1 19939644 YKMKPAZKIFWYKD-UHFFFAOYSA-N 462.604 3.749 10 40 JHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCc3ccccc3C2)cc1 36683795 NZCYJODWFCTWHC-VWLOTQADSA-N 460.553 3.746 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)cc1 41085312 QHRZTEZWIOJTGS-QZEQKTIESA-N 499.618 3.750 10 40 JHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 71835164 IPCSBIPBYFHODA-DQEYMECFSA-N 472.589 3.909 10 40 JHCB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96113933 UTLJGMMEUUYQAS-ZDUSSCGKSA-N 460.394 3.747 10 40 JHCB biogenic COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)o1 107651252 QDRYDPRRCBNLQD-RGVLZGJSSA-N 479.514 3.809 10 40 JHCB NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl 109044678 ZCOYGROVAFXFBK-UHFFFAOYSA-N 475.888 3.788 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ncc(Br)cc3Br)C2=O)cc1C 408532429 MPVIGLWJHWGORP-MDWZMJQESA-N 494.143 3.802 10 40 JHCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)OC 409328826 BAZGVYOGQYPGTA-MDWZMJQESA-N 460.371 3.621 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)cc1O 8915932 TYACGPSKEOMQKM-IZZDOVSWSA-N 481.755 3.956 10 40 JHCB C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1c2ccccc2C[C@H]1C 14017207 QLRIXTNVIRTBRM-HUUCEWRRSA-N 484.464 3.893 10 40 JHCB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854970 HQUMPICVTGXLKW-OAQYLSRUSA-N 494.577 3.887 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1 103919956 GGAVDTXJKUSSSW-MOSHPQCFSA-N 464.503 3.735 10 40 JHCB O=C1NC(=S)N(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 9324325 XSXIBVMWMUCLGT-YBEGLDIGSA-N 496.884 3.828 10 40 JHCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 224799968 RCYYJOIMKFENHF-IBGZPJMESA-N 473.639 3.746 10 40 JHCB COc1cc([C@@H]2c3cc4c(cc3[C@H](Nc3ccc(N)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O 8652875 CVYPFSWTHXCTKR-PVUOONDNSA-N 490.512 3.808 10 40 JHCB Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c(C)n1-c1ccc2c(c1)CCC2 8727740 LFQQWKIRWHNIOK-GOSISDBHSA-N 498.674 3.664 10 40 JHCB COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1OC 41108244 KDMJEQZCZDCNPU-WLNNWNTISA-N 480.502 3.571 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)C1 260764624 KXUGGDJTUOQNBL-DLBZAZTESA-N 465.566 3.672 10 40 JHCB Cc1cc(N2C(=O)N=C(O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)ccc1Br 1211859 FRXNDEDUALOUHP-LFYBBSHMSA-N 474.223 3.901 10 40 JHCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C 3365552 UPPHXIVITFEQHD-UHFFFAOYSA-N 467.909 3.898 10 40 JHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 12285171 SFGTXSYEKVCIOM-UHFFFAOYSA-N 474.966 3.728 10 40 JHCB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 223247868 MVLOEVOFDGYRHD-NRFANRHFSA-N 457.640 3.870 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223707194 GPWIJQQEOZMSAX-GOTSBHOMSA-N 450.564 3.725 10 40 JHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408531290 PFEYLSGPHVYIAS-NVMNQCDNSA-N 472.435 3.800 10 40 JHCB Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1 408927842 SCEGFUSFDRBYJA-UHFFFAOYSA-N 454.349 3.675 10 40 JHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409186070 WENHKHGQGJXNRD-KQWNVCNZSA-N 499.523 3.802 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1-c1ccc(OC(F)F)cc1 9961450 JLFJOOKMAJRMKX-UHFFFAOYSA-N 467.432 3.711 10 40 JHCB COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccc(OC)c(OC)c3)CC4=O)CC2)cc1 10156589 FBLGWQHBJTWALU-IBGZPJMESA-N 474.561 3.742 10 40 JHCB CCCOc1c(Br)cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 33772604 LDGWEJGOUKIFAO-UKTHLTGXSA-N 460.371 3.922 10 40 JHCB COc1ccc(N2CCN([C@H]3CCCC[C@@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9408754 FXAIMPPUQMOFQV-GOTSBHOMSA-N 464.031 3.760 10 40 JHCB Cc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 13096732 PPIBAKGYRWMDFV-IBGZPJMESA-N 453.542 3.920 10 40 JHCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N=C3O)c2C)sc2c1CCCC2 34887601 YCYQYHYFFBHAQI-GDNBJRDFSA-N 457.577 3.918 10 40 JHCB C[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105512858 PKMFCOXSWVRCGE-WFBMQCHUSA-N 465.505 3.808 10 40 JHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1 408739232 ADKJJCNJVWRPMU-HZHRSRAPSA-N 458.518 3.835 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2O)C1=O 408894247 BVEANJNYCZXSCO-JYRVWZFOSA-N 480.112 3.892 10 40 JHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 1778589 SHXXOWPUXUVYPS-YVLHZVERSA-N 459.505 3.548 10 40 JHCB CCCCCCOc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 8983682 LFTBUACFUAPTRZ-UHFFFAOYSA-N 452.507 3.853 10 40 JHCB COc1cccc(NC(=O)CN(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 15480597 BGCSWHORSLELAD-UHFFFAOYSA-N 463.534 3.627 10 40 JHCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 16741250 WBJQZBXXFDKGRW-MNDPQUGUSA-N 462.600 3.739 10 40 JHCB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(O)c(Br)c2O)N3)C1 20083375 ABRACPIJFGUVEO-CQSZACIVSA-N 489.189 3.526 10 40 JHCB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 23762881 JOQMNHBLESIBCH-DHZHZOJOSA-N 486.572 3.619 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1Cl 59536120 BFDJGIMKXUSUOU-UHFFFAOYSA-N 451.729 3.596 10 40 JHCB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 223622318 RHRNANFLJNGUSD-BWAHOGKJSA-N 474.630 3.896 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)o2)cc1 409168384 QWQCWNAWUISGAJ-GHRIWEEISA-N 462.483 3.573 10 40 JHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1Cl 409230312 YEEWOCMMEAXEPZ-WOJGMQOQSA-N 465.918 3.969 10 40 JHCB CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 1449919 OHOWDUCQCTZIIN-JXAWBTAJSA-N 466.588 3.579 10 40 JHCB CC(/C=C1\SC(=S)N(CC(=O)N(CCO)Cc2ccccc2)C1=O)=C\c1ccccc1 8820672 MATXKIGJDUOMNL-PYBTYBIFSA-N 452.601 3.855 10 40 JHCB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9320820 FSHVYYYCTQVHBF-UHFFFAOYSA-N 460.577 3.598 10 40 JHCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c([N+](=O)[O-])c1 223621844 JGEBSWFEZCVHLM-XZOQPEGZSA-N 481.578 3.761 10 40 JHCB C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)C1 225491011 HMNQPCBZXPUGNT-IBGZPJMESA-N 473.614 3.779 10 40 JHCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc21 408530220 JRRAXBMKKSIFHG-SOFYXZRVSA-N 478.914 3.984 10 40 JHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 13616248 ZSUOTBSXQYUQSI-PXLXIMEGSA-N 457.486 3.937 10 40 JHCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccccc1 35177644 BCGZXNBBOQVWRQ-KQWNVCNZSA-N 483.524 3.903 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 408915486 WDGDCHWCPAEDTN-VGOFMYFVSA-N 495.782 3.947 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 3356085 JZMVNEBSZIYIEQ-UHFFFAOYSA-N 460.486 3.989 10 40 JHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8721394 BEDLJFQCKOWGMI-SANMLTNESA-N 477.492 3.654 10 40 JHCB N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085006 PURCZMHLYMICBD-FOSZEWQZSA-N 461.547 3.817 10 40 JHCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccc(Cl)cc4)c[nH]3)CC2)cc1 61720502 CEQJCDXBRIHACH-UHFFFAOYSA-N 453.926 3.578 10 40 JHCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 101481043 OXWAYTVUQVHMGL-YTFSRNRJSA-N 451.478 3.999 10 40 JHCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)NC1=S 408908850 DMSUENVLIQFFBI-OQLLNIDSSA-N 465.756 3.938 10 40 JHCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135743 FEXCKWFFMNOUHA-JOCHJYFZSA-N 471.001 3.623 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(N4CCCC4)n3-c3ccc(C)cc3)CC2)cc1 12558307 GRYODIHXSGMPLI-UHFFFAOYSA-N 492.649 3.625 10 40 JHCB COc1ccc(N2CCN([C@H](c3cccc(F)c3)c3sc4nc(C)nn4c3O)CC2)cc1 23157435 LHOOIAWHCZSBKY-HXUWFJFHSA-N 453.543 3.864 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4C)cc3)C(=O)N=C2S1 41084111 VULLONYFCKJWJX-BIWIXZEJSA-N 468.560 3.585 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408815393 WNOLRRWOGUGLNH-CIAFOILYSA-N 489.440 3.554 10 40 JHCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)NC[C@H]1CCCO1 409140726 IEEIHZWMAITKLM-VCYKRWNGSA-N 492.626 3.733 10 40 JHCB COc1ccc2c3c(n(CCCc4nnc5ccccn45)c(=O)c2c1OC)-c1ccccc1C3=O 604404071 BLXRETUKOISUNR-UHFFFAOYSA-N 466.497 3.906 10 40 JHCB biogenic CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)cc1 2059934 OCHNZTKAZKJPKH-QFVBLGFASA-N 496.032 3.908 10 40 JHCB CCN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S 8396004 ZMLJSOXZQYDWQO-WOJGMQOQSA-N 467.934 3.943 10 40 JHCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 9323941 JACYDGHOAFGDPQ-STZFKDTASA-N 488.521 3.804 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1 18180942 YGYAITKGVIYKEA-VJBWXMMDSA-N 496.475 3.907 10 40 JHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30754774 QDZPKRWSHXCQEZ-UHFFFAOYSA-N 485.993 3.907 10 40 JHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 32307872 JAFDXWVQNKUNSI-ZRBLBEILSA-N 457.486 3.502 10 40 JHCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 54360632 QMBQOZJFJRKNTF-NDENLUEZSA-N 451.573 3.737 10 40 JHCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCOCC4)cc3OC)N21 222680237 MQRUUFDXUPESPC-PBNUPURSSA-N 454.596 3.915 10 40 JHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408547073 OEKOLHDSBVTZGA-UNOMPAQXSA-N 464.459 3.913 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)S1 408761686 AUICRIVDAZAGRK-NDENLUEZSA-N 452.513 3.714 10 40 JHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409143338 DNFXLPYTFVQPME-HZHRSRAPSA-N 471.513 3.933 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)NC1=S 6288647 UAQCRKPVDXXASB-XDHOZWIPSA-N 498.402 3.725 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OC(C)=O 8432715 RGBYPEBZZJYWBZ-LZYBPNLTSA-N 473.279 3.887 10 40 JHCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)S3)CC2)cc1 9188197 XMJHXALEVYCEDA-QNGOZBTKSA-N 469.563 3.514 10 40 JHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 32099487 DRNACUXJUVDDEK-PDGQHHTCSA-N 467.275 3.957 10 40 JHCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc([N+](=O)[O-])c1O 33149450 NMTZIKPFVVLUNL-WUXMJOGZSA-N 478.280 3.743 10 40 JHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/N1CCN(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)CC1 33560226 IKQOXLWRKPWUSB-RPCRKUJJSA-N 482.588 3.834 10 40 JHCB Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](COc3ccc(N4CCNCC4)cc3)O2)c(Cl)c1 38944078 LOUXSEJZCPKWAX-XUZZJYLKSA-N 489.403 3.947 10 40 JHCB CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107767101 NFSRJDMNAKLEEV-CDCQXCROSA-N 460.284 3.996 10 40 JHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)S1 408752212 GQGXGLKOOLXNCM-YVLHZVERSA-N 474.336 3.573 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCn4cccc4)c4ccccc34)[C@H]21 1565524756 UVWBHCKDEMYRFD-MHZLTWQESA-N 467.573 3.796 10 40 JHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 666340 ZSUOTBSXQYUQSI-JCMHNJIXSA-N 457.486 3.937 10 40 JHCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 2430219 LXEJBEOUHDTOJY-WOJGMQOQSA-N 451.529 3.834 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408908292 BLKVIFHUKYUPGX-VGOFMYFVSA-N 451.331 3.838 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 408911770 OMRRBMZFJVJFBJ-CXUHLZMHSA-N 489.391 3.992 10 40 JHCB Cc1c(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 1798896 WOUUDULSOCHBGJ-LGMDPLHJSA-N 484.628 3.776 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 12381044 CYSZFYWXGOXELG-BNDQCTAISA-N 479.272 3.520 10 40 JHCB COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)cc2)cc1 12533980 ZEPKLKMAAPDMPZ-UHFFFAOYSA-N 488.588 3.855 10 40 JHCB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19820732 XWFOHOLBMNDABE-RPWUZVMVSA-N 471.513 3.806 10 40 JHCB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102059596 UMLULVIXRRRYMS-YTFSRNRJSA-N 467.477 3.780 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 223708022 HULSDJMEMCUWAN-ZEQRLZLVSA-N 492.601 3.811 10 40 JHCB COc1ccc(N2CCN(C(=O)Cc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1 225985053 AYOLBKITNHHRCP-UHFFFAOYSA-N 493.629 3.720 10 40 JHCB CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)sc2c1 408534911 RRRGDJJVMSUSAY-GHRIWEEISA-N 458.499 4.427 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408872434 NIRIAQLZIQYXKM-LICLKQGHSA-N 476.270 3.665 10 40 JHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 409104793 FLMWZXBXMHPUMG-BKUYFWCQSA-N 467.547 3.979 10 40 JHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O 409216989 MXIHOSDIZOVDNB-RCCKNPSSSA-N 456.502 3.718 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1O[C@@H](C)C(=O)O 409220676 DDVSTOAXKNHJPC-XNFYSYIQSA-N 479.272 3.520 10 40 JHCB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 8825174 XMLAMEQCVRZTEZ-OAHLLOKOSA-N 469.526 3.865 10 40 JHCB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)cc1 10112159 HVUSDCCPQQVVRO-UHFFFAOYSA-N 479.602 3.871 10 40 JHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 71164229 XHOQLMWIDZQDGX-INIZCTEOSA-N 468.529 3.642 10 40 JHCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100548158 KBFIMIHUVSWUHB-BHIFYINESA-N 471.440 3.529 10 40 JHCB COc1ccc(N2CCN(C(=O)CCCN(c3cccc(Cl)c3C)S(C)(=O)=O)CC2)cc1 223715689 PVWTWZLVVKBAMH-UHFFFAOYSA-N 480.030 3.552 10 40 JHCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260763823 GYJWRTSLACRBSV-AQNXPRMDSA-N 473.639 3.963 10 40 JHCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c2ccccc21 408775325 GBXDOUUJBLHJDR-LICLKQGHSA-N 496.317 3.552 10 40 JHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408962666 ZWAKRXFHJKZENA-XSFVSMFZSA-N 458.495 3.795 10 40 JHCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409019704 KGFYJYWZRRXEGY-HZHRSRAPSA-N 492.553 3.631 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCC(=O)O 409039422 QZAWRCFCXYCFPU-RZNTYIFUSA-N 460.371 3.778 10 40 JHCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 409185181 KCRLWMNINXNSHS-QTEQDKRBSA-N 468.575 3.711 10 40 JHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 409409458 PCZBMWJKLJWAAW-QNGOZBTKSA-N 458.470 3.775 10 40 JHCB Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2250300 XWIIUAPSIKOSFZ-BOPFTXTBSA-N 460.625 3.840 10 40 JHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 8819525 JJQYPMJLMLHBNW-AQTBWJFISA-N 456.545 3.799 10 40 JHCB O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)c2nsnc12 22553887 UZLCVLKBHPQDNV-UHFFFAOYSA-N 493.158 3.715 10 40 JHCB CN1CCN([C@H](CNC(=O)c2ccccc2Br)c2ccc3c(c2)CCCN3C)CC1 22734828 OJENZIPGHYTLCS-HSZRJFAPSA-N 471.443 3.550 10 40 JHCB CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1 22929334 PVVMHWBRCHMXDO-RUZDIDTESA-N 463.605 3.576 10 40 JHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N(C)C1=S 59140054 BEKWEJVOMDWVSA-UHFFFAOYSA-N 463.328 3.766 10 40 JHCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 101149184 WFLWOVGGJGLYIB-BHDDXSALSA-N 471.440 3.529 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2Br)cc1 409186835 ILEZGKUBIHEEIJ-UHFFFAOYSA-N 496.180 3.705 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1OC 409201308 LKANPMYTTPNJEW-LFIBNONCSA-N 459.296 3.913 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC 409251842 WPRDSJQVRURCRP-ZSOIEALJSA-N 475.364 3.914 10 40 JHCB COc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1Br 666426 ZBZVQBGQNSVZCF-MDWZMJQESA-N 452.102 3.682 10 40 JHCB COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1C 13535376 WEMREPMWYHASFW-REZTVBANSA-N 452.363 3.889 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 16734621 BQFMMMAYIZCYJD-IGIWSDCRSA-N 458.609 3.594 10 40 JHCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNCCCN3CCOCC3)c(O)c(Cl)cc12 20591383 SEXUVCVLXVQGHU-UHFFFAOYSA-N 456.970 3.863 10 40 JHCB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221240 XNSFJGCTDFIGNW-OAHLLOKOSA-N 478.453 3.986 10 40 JHCB biogenic CCCCCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 408538103 JCIJIYDPYKWNPK-UHFFFAOYSA-N 455.374 3.721 10 40 JHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409244817 JCJCOTYVYVZZOY-XDHOZWIPSA-N 476.920 3.821 10 40 JHCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc(OC)c1OC 13400173 YRLNIQLYMVFDDB-WQRHYEAKSA-N 474.560 3.648 10 40 JHCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1 33423115 YSHZOTUUUDZCHG-WQRHYEAKSA-N 492.875 3.727 10 40 JHCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 57548143 HFPUOWUDBJNPLC-NRFANRHFSA-N 472.589 3.947 10 40 JHCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/C=C/c1ccccc1Cl 824585 GHQLUVGEZBESMU-PVZSTHCMSA-N 450.663 3.962 10 40 JHCB CCc1ccc(S(=O)(=O)Nc2ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)cc1 6038770 LTLTWKRSZUZOMQ-SFHVURJKSA-N 473.469 3.922 10 40 JHCB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9165161 YLKHGYULEGUXBD-DEOSSOPVSA-N 464.610 3.750 10 40 JHCB CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1=O 9946136 APESLIIMKIFMIB-JOCHJYFZSA-N 480.348 3.847 10 40 JHCB CCC[C@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 9972451 PJFUKQUHHPUDEJ-GIRPNKPCSA-N 474.513 3.628 10 40 JHCB CCOCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 13712950 DAANVMIMTBCCIO-ATVHPVEESA-N 460.625 3.699 10 40 JHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(OC)c1OC 13751119 OHUXFKMNJQVBTK-SXGWCWSVSA-N 464.952 3.912 10 40 JHCB COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 17837347 NMEGFEGCXBDWNN-GOMUQIMISA-N 486.663 3.723 10 40 JHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 35973994 JTSOONOKRIUKBG-YMENFXCSSA-N 472.636 3.616 10 40 JHCB CC(=O)N1c2ccc(N/N=N/c3ccc4c(c3)N(C(C)=O)[C@H](C)CC(=O)N4)cc2NC(=O)C[C@H]1C 36489954 NWOLDKRVJJVOTB-ZIAGYGMSSA-N 477.525 3.965 10 40 JHCB COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221779 FWJNLDYZWOMVMK-ZDUSSCGKSA-N 462.410 3.732 10 40 JHCB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 409265353 HSURUJUUSHRXEL-PXLXIMEGSA-N 499.523 3.996 10 40 JHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)OC 409344623 HPLDQQNFMFFASP-WQRHYEAKSA-N 474.516 3.951 10 40 JHCB CNC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1565524354 JYCUXXWCCBXVCL-NDEPHWFRSA-N 493.567 3.787 10 40 JHCB CC(C)c1c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccccn1 40072814 YYBMEBYGHOPJOE-UHFFFAOYSA-N 494.507 3.962 10 40 JHCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)ccc2O)C(=O)NC1=S 408743680 XAEJFPCUZPLSMA-JYRVWZFOSA-N 451.729 3.948 10 40 JHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)c1 409222202 VYHYUOAJQOXZHB-FYJGNVAPSA-N 472.570 3.641 10 40 JHCB O=C(O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 409234883 ADXRSLUIZHUDTD-LZYBPNLTSA-N 473.432 3.576 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCCC3)ccc21 9138051 CLOUPTMQQKXQJQ-XMMPIXPASA-N 469.029 3.682 10 40 JHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1 9891825 ROCXFLMMYOQHKG-FYJGNVAPSA-N 478.530 3.557 10 40 JHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCN(Cc2ccc3c(c2)OCO3)CC1 20025662 UTYDYLSZVVLISJ-CYYJNZCTSA-N 465.510 3.898 10 40 JHCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 41077687 HQEJXAGAIZSVMT-FZAWDKCWSA-N 477.571 3.869 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC 409125457 FOLMMIVJMJGISC-ZSOIEALJSA-N 475.364 3.914 10 40 JHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(OC)c(O)cc3Br)SC2=S)cc1 409333664 UZEOGDITLJDMDR-PXNMLYILSA-N 495.376 3.718 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccccn4)c4ccccc34)[C@H]21 1616044725 VAEDRVZCECDAOB-MHZLTWQESA-N 465.557 3.542 10 40 JHCB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 9349014 VOZNGXZWDJYXHF-CFGKVWFZSA-N 471.344 3.839 10 40 JHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 26675857 WIVINXOMOZTAJD-UDWIEESQSA-N 459.458 3.793 10 40 JHCB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1C 101099798 QXBFNCLYLHXWGK-ZRBLBEILSA-N 451.478 3.999 10 40 JHCB O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 208209946 DJQOJITVIOADLR-MBEHWEEESA-N 458.949 3.861 10 40 JHCB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N2CCCCC2)cc1 225472246 UWKYTOSYOFOILO-HXUWFJFHSA-N 455.624 3.955 10 40 JHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408809226 KSZKGHZWMZKEQN-SFQUDFHCSA-N 487.306 3.691 10 40 JHCB COc1ccc2c3c(n(Cc4nc(-c5ccccn5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604404903 LODMSHZKXSKKFP-UHFFFAOYSA-N 466.453 3.723 10 40 JHCB biogenic Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCCCOC(C)C)nc12 2256188 RZISCKPXQROJQM-ATVHPVEESA-N 460.625 3.840 10 40 JHCB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 3272381 ZKIIVFMRVDAILF-UHFFFAOYSA-N 482.464 3.602 10 40 JHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 6576911 JAFDXWVQNKUNSI-DNVJHFABSA-N 457.486 3.502 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9548808 TWHIRHGVKVXZBE-UHFFFAOYSA-N 491.613 3.547 10 40 JHCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1C 16350002 FBCQOMOOHSWYRL-AQTBWJFISA-N 450.451 3.555 10 40 JHCB COc1ccc(N2CCN([C@H](CNC(=O)C3CCCCC3)c3ccc4c(c3)OCO4)CC2)cc1 16953852 GZKQFQMTVICWQB-XMMPIXPASA-N 465.594 3.984 10 40 JHCB Cc1ccc(-c2csc3ncn(CC(=O)N(C)Cc4ccc(N5CCOCC5)cc4)c(=O)c23)cc1 25050256 DRTZIELSXNJYEZ-UHFFFAOYSA-N 488.613 3.929 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 101130348 FOSKOAPDTTZQEB-BDTNDASRSA-N 455.441 3.829 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 408787969 HVPPSQADSAIUMT-ZHZULCJRSA-N 467.518 3.636 10 40 JHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408945510 WOUQXVUPYQPBPI-DEDYPNTBSA-N 487.424 3.538 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@@H](C)C(=O)O 409244224 ZTZFKHRJCAHETN-LZAIMSLLSA-N 495.340 3.685 10 40 JHCB COCCN1CCN(c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)CC1 2037928557 RTKTYIRCOOOVPB-UHFFFAOYSA-N 465.642 3.551 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 9258975 ZGWPNUSOLQIVRI-MHWRWJLKSA-N 460.939 3.977 10 40 JHCB CCOCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 13645313 FFOALXMQEAQQJL-FUEBIDMXSA-N 486.663 3.805 10 40 JHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408811797 KTXXLRUWQNBFOW-CIAFOILYSA-N 461.405 3.979 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc(C)cc2)c1 408813550 QQYAQZAXVADBRZ-LPYMAVHISA-N 458.470 3.955 10 40 JHCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)cc2)cc1 408935252 CIUOXFCGXNDCGC-HYARGMPZSA-N 456.454 3.939 10 40 JHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)SC1=S 409135368 UPIPMYCAHFJQMJ-ODLFYWEKSA-N 471.629 3.867 10 40 JHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)ccc21 409190167 LVHZDUNRJVQCLD-VAKHEIKFSA-N 482.290 3.716 10 40 JHCB CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc(Br)c1O 16688234 WRAAQTQIBPEHMR-QPEQYQDCSA-N 476.239 3.968 10 40 JHCB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1CCS(=O)(=O)O 26532470 HXUIQJIBMGSNOF-WJDWOHSUSA-N 477.614 3.690 10 40 JHCB COc1ccccc1OCCOc1c(OC)cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC 41082440 VZGYUXYWJDXAFF-JXBMKXPISA-N 479.489 3.621 10 40 JHCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)N(c2cccc(Br)c2)C(=O)N=C1O 59198300 SBZIRSQXNQPXOC-MLPAPPSSSA-N 476.239 3.881 10 40 JHCB O=C1[C@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 100155777 YRZXQCGDZQBCQW-BUWVWOCESA-N 467.452 3.862 10 40 JHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Br)c(Br)c1 408867977 MRRMNJFCMHULNT-UHFFFAOYSA-N 480.181 3.717 10 40 JHCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)NC1=S 408912676 RNVSWXOJUBBYON-RIYZIHGNSA-N 465.756 3.938 10 40 JHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl 409047205 NSGKCTWBWWRLFP-RIYZIHGNSA-N 463.273 3.845 10 40 JHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCc1ccccc1 409191340 WEMGYULSPAQMJZ-DEDYPNTBSA-N 488.521 3.804 10 40 JHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)cc1 9934877 GXJCWQGXKHNKTN-FYJGNVAPSA-N 475.526 3.632 10 40 JHCB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3nsnc23)c(OC)c1 19108173 YHQNSLSDTQOORQ-UHFFFAOYSA-N 470.532 3.762 10 40 JHCB CC(C)n1cnc2c(N(Cc3ccccc3O)Cc3ccccc3O)nc(NCCCO)nc21 22057646 SYMJEBDVWRZOFH-UHFFFAOYSA-N 462.554 3.820 10 40 JHCB in-vitro CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 223543325 VDRZYOAWYUEKPC-HSZRJFAPSA-N 473.639 3.674 10 40 JHCB Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccc2c(c1)CCC2 9847391 WVHKGDUSGFAAKI-KRWDZBQOSA-N 485.631 3.918 10 40 JHCB O=C(COC(=O)c1ccc(Br)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 12591029 KDCUSRDIMHRFJL-UHFFFAOYSA-N 454.232 3.613 10 40 JHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 96306235 WQGDRKRCERQHGX-KXQKXUNCSA-N 482.879 3.637 10 40 JHCB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 224103212 ZXZJRFCLKYGWFS-BWAHOGKJSA-N 474.630 3.896 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccco1 408536658 SJRLXAJXSCCMPF-NTCAYCPXSA-N 464.405 3.703 10 40 JHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408867883 MILMAOQNCPAOIB-UYRXBGFRSA-N 461.405 3.979 10 40 JHCB Cc1cc(/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2155266 LAJRMSICXGMSIO-KGENOOAVSA-N 459.527 3.966 10 40 JHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1 9730631 WGLBDLYBAHYOFQ-UHFFFAOYSA-N 458.898 3.549 10 40 JHCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)nc1 223192344 KWKHKZONPNXYMS-FTJBHMTQSA-N 490.677 3.887 10 40 JHCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409084756 XXZHYOAFOGFKQX-LICLKQGHSA-N 480.951 3.531 10 40 JHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)cc1OC 409144034 DLPCKFQCVXLSTB-SFQUDFHCSA-N 458.898 3.808 10 40 JHCB COc1cc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC 8997362 OQMHTJDOKLQFIZ-UHFFFAOYSA-N 476.510 3.615 10 40 JHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 12469692 ATHKJFKGNNGDIQ-FOWTUZBSSA-N 451.891 3.660 10 40 JHCB COc1ccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3Cc3cccs3)CC2)cc1 13505304 VGFIQWMLJJMCFV-RUZDIDTESA-N 489.649 3.769 10 40 JHCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13940655 ICDOEEKILAQMMK-XTCJMLNKSA-N 468.407 3.553 10 40 JHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2S1 41084106 LJVINPPPMLMJBT-RMXFNUKNSA-N 488.978 3.930 10 40 JHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(OC)c(OC)c4)ncn3)CC2)cc1 49006806 PWVUARNPNMATHT-UHFFFAOYSA-N 495.605 3.560 10 40 JHCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br 408763276 RYFQBSHLNTWICR-GDNBJRDFSA-N 461.337 3.688 10 40 JHCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408774159 ALQJZMHIVCUUGJ-OVCLIPMQSA-N 493.299 3.610 10 40 JHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1 408810154 IGLJAXHRNVAWEU-GZTJUZNOSA-N 487.306 3.689 10 40 JHCB Cc1cc(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c(C)n1-c1ccc(F)c(Cl)c1 10489192 DUSHWOOEMDVQMW-UHFFFAOYSA-N 470.931 3.635 10 40 JHCB COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96222682 PAAQPNJUHRLXIX-AWEZNQCLSA-N 492.436 3.741 10 40 JHCB biogenic COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)OCO2 409065562 JJBYOSMJMPNKQZ-YHYXMXQVSA-N 451.287 3.562 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 409246956 LQICWFXYLJQEOH-NBVRZTHBSA-N 460.442 3.798 10 40 JHCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 15954406 WGRWGISHTMYQMW-QUGAMOGWSA-N 451.519 3.796 10 40 JHCB biogenic COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCc1ccc(C(=O)O)cc1 409187419 QDZOORPVDZYAGE-KGENOOAVSA-N 486.480 3.947 10 40 JHCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c(C)c1 409253452 BLDAIPIRPBUGGC-UHFFFAOYSA-N 478.357 3.542 10 40 JHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(C(N)=O)cc4)c4ccccc34)[C@@H]21 1616044728 VGNPYTIQDAFEHP-HHHXNRCGSA-N 479.540 3.526 10 40 JHCB CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c2ccccc21 9465996 DPBNSHVIEHUCQF-GZTJUZNOSA-N 485.281 3.932 10 40 JHCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O 408548350 GUBOTILGWLKOAI-OEAKJJBVSA-N 459.502 3.739 10 40 JHCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1 409125533 ARUWAWOTPMJQIO-KGENOOAVSA-N 453.564 3.552 10 40 JHCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 10525999 IKKGLRNMXRGYRK-HNNXBMFYSA-N 492.500 3.771 10 40 JHCB COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 12846409 LEOQSOIJJGOCKK-KVACCUTFSA-N 480.524 3.841 10 40 JHCB CN(C)c1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1 13505296 CRWPVQSJQZUORT-DEOSSOPVSA-N 459.623 3.761 10 40 JHCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 26840836 XRGYMNOQWOEGGX-HNMKQIAWSA-N 495.582 3.876 10 40 JHCB O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ncccc3o2)cc1 57333702 KUMNUUDTFXTHJV-UXBLZVDNSA-N 485.500 3.964 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc4c(c3)OCO4)C2=O)cc1 408780093 RWIOIVVCJDFLRU-DEDYPNTBSA-N 456.454 3.969 10 40 JHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 408953294 PNYWLJMFTLVZLT-YBFXNURJSA-N 460.417 3.800 10 40 JHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 1547208823 AHLMVWUOQUWSOT-JOCHJYFZSA-N 461.477 3.759 10 40 JHCB biogenic COc1cc([C@H]2c3cc4c(cc3[C@H](Nc3ccc(N)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 8652876 CVYPFSWTHXCTKR-MGKKLRQFSA-N 490.512 3.808 10 40 JHCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(C)c2)cc1 10113330 FRFUGIFFJAZHMM-UHFFFAOYSA-N 493.629 3.652 10 40 JHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 16914944 LFNAZXUTJBAJRU-SANMLTNESA-N 464.635 3.594 10 40 JHCB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 23855239 AMPXTQFBWHRIMC-MHZLTWQESA-N 458.562 3.533 10 40 JHCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 111426917 HJSZQXQYPHWPHA-OYKKKHCWSA-N 485.544 3.892 10 40 JHCB COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N4c5ccc(OC)cc5C=C[C@H]4[C@@H]3C2=O)cc1 2427608 GVIXKNWAVMHRND-MLCQCVOFSA-N 460.530 3.709 10 40 JHCB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)c(C)n1-c1ccc(OC(F)F)cc1 22225584 BYXAMAPEDPHICA-UHFFFAOYSA-N 485.487 3.967 10 40 JHCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 32116775 HJSZQXQYPHWPHA-ZVHZXABRSA-N 485.544 3.892 10 40 JHCB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225952125 OQPHJFUGJIIPIO-HXUWFJFHSA-N 495.697 3.636 10 40 JHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)NC1=S 408766826 HFHNAGGMENQIQL-LDADJPATSA-N 460.471 3.922 10 40 JHCB O=C(O)CCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2198751 NLROXGAHZHXNRJ-VBKFSLOCSA-N 485.518 3.692 10 40 JHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414352 TYCUHUSBUDUGRS-HKWRFOASSA-N 467.518 3.636 10 40 JHCB COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 16914073 ZGSQYONSXZGDEV-MUUNZHRXSA-N 488.632 3.820 10 40 JHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1 19899358 YEDRRLIUZAOMIK-ZHZULCJRSA-N 469.611 3.735 10 40 JHCB O=C1/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 26840806 HKKUXEYLVYOQOS-APVMCDBPSA-N 465.556 3.867 10 40 JHCB COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 96220988 UQUFLXLZNHAOQE-CQSZACIVSA-N 490.420 3.510 10 40 JHCB biogenic O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1I 223616375 HZONHHBCHGASQP-UKTHLTGXSA-N 468.703 3.776 10 40 JHCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(C)cc2)C1=O 408530805 FWVAMVCYNZZJTL-CYVLTUHYSA-N 456.454 3.889 10 40 JHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 408798533 FXEBQJCNBAKCFW-UDWIEESQSA-N 473.441 3.849 10 40 JHCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408885061 WXZWRYLZBLZNHK-LICLKQGHSA-N 476.270 3.665 10 40 JHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C(=O)NC2=S)c1 409102382 ZDUKMBAFMZNDGP-XDHOZWIPSA-N 481.574 3.534 10 40 JHCB COC(=O)c1ccc(NC(=O)Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 604404554 DKOIHZJOSFCIEM-UHFFFAOYSA-N 498.491 3.655 10 40 JHCB biogenic CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C 9310530 RNJBRCDOAVZKJF-YBFXNURJSA-N 486.571 3.697 10 40 JHCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 10078627 HSQLKXJYQZVJKD-XMMPIXPASA-N 494.573 3.815 10 40 JHCB COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 20061067 WKGRDONRVVCHLH-UHFFFAOYSA-N 493.629 3.856 10 40 JHCB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 20207470 IPVTVLNZKFSCEJ-GQZSXMDHSA-N 499.618 3.811 10 40 JHCB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2406429 NMKMWAVMKKBDTM-UYRXBGFRSA-N 484.628 3.621 10 40 JHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCCC3)ccc21 9138320 CTXNHPGGWPRBGN-HSZRJFAPSA-N 456.537 3.629 10 40 JHCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cc(OC)c(OC)cc4OC)S3)CC2)cc1 9188198 OMKJLKLZHQCYJA-HMAPJEAMSA-N 469.563 3.514 10 40 JHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739297 HOQHWCLWANCTLH-UNOMPAQXSA-N 470.463 3.576 10 40 JHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 223707796 LHTXJPKOIRXGTK-ZEQRLZLVSA-N 492.601 3.811 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccco1 408537521 VXAGRJFPAZBEDU-UDGZUXSVSA-N 464.474 3.548 10 40 JHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541572 GRSGBLNIXHAJDR-VXLYETTFSA-N 473.416 3.786 10 40 JHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OC 408915473 VVSDFBGSNDSASI-VGOFMYFVSA-N 463.259 3.662 10 40 JHCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c3ccccc32)cc1 409392442 MQBINCVLYCGOJB-HYARGMPZSA-N 479.496 3.650 10 40 JHCB COc1ccc(CNC(=O)Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 604404718 RCOUUMBDYCQGEB-UHFFFAOYSA-N 484.508 3.555 10 40 JHCB biogenic COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 9311106 SOJAIXMMKDXTKU-VIZOYTHASA-N 477.300 3.828 10 40 JHCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 26840831 XRGYMNOQWOEGGX-AMRJIULGSA-N 495.582 3.876 10 40 JHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C 32116545 VDWWZSBNRWAHLU-HMAPJEAMSA-N 486.528 3.721 10 40 JHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1cccc(OC(F)F)c1 98002885 WMFJKXLTDSFYKJ-MFOYZWKCSA-N 478.498 3.648 10 40 JHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 113469132 XZBPODUIPDIGFU-JCMHNJIXSA-N 492.517 3.899 10 40 JHCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 408657727 HNLBTONHIMFXTJ-VWPQPMDRSA-N 480.948 3.693 10 40 JHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCc1cccc(C(=O)O)c1 408897949 JUFVVLDUYMCMTP-KGENOOAVSA-N 486.480 3.947 10 40 JHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1 409193808 LWOONXSOBFQPRK-FYJGNVAPSA-N 475.526 3.632 10 40 JHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2OCC)C1=O 409245247 PRBBHLIYUQHNOH-NTCAYCPXSA-N 459.296 3.913 10 40 JHCB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)ccc1Br 9141115 RXUHJMAKJYHRLE-UHFFFAOYSA-N 493.313 3.911 10 40 JHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 16769991 DBEKAMDUGQSPBL-YBEGLDIGSA-N 487.628 3.574 10 40 JHCB COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96116260 ATENMZAKVUILJJ-AWEZNQCLSA-N 464.426 3.683 10 40 JHCB biogenic CCOc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1O 96220975 LIZHILMORZLAAM-ZDUSSCGKSA-N 492.436 3.828 10 40 JHCB biogenic COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 408550285 FNAVWOZCZWPTLJ-FYJGNVAPSA-N 481.574 3.848 10 40 JHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 408896665 HAUAPIPIDVSBGY-KGENOOAVSA-N 473.460 3.818 10 40 JHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 409195042 QWKUDRSGGWPBHP-OQLLNIDSSA-N 489.347 3.766 10 40 JHCB COc1ccc(/C=C/C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 409410601 YFORNSVVAJCIIV-LRFXARPXSA-N 485.452 3.684 10 40 JHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4Br)o3)CC2)cc1 905501 DGHFCDNDMKQQIT-UHFFFAOYSA-N 489.395 3.949 10 40 JHCB CCOc1cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)ccc1OC(=O)c1ccco1 41083575 MQYFLNGWORUKOX-JXPCMBGASA-N 456.505 3.837 10 40 JHCB O=C(CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N/c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 102982023 CTRQZCVKJVXKSW-IFQZSBTPSA-N 487.447 3.778 10 40 JHCB CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1O 409140977 GDELOSKYJKJEEW-GDNBJRDFSA-N 494.310 3.796 10 40 JHCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)c1 409259867 GVBBMSLJLNXPKT-QNGOZBTKSA-N 469.497 3.987 10 40 JHCB CC(C)Oc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 95927154 UYNSWEGNEUUHCL-NDENLUEZSA-N 470.572 3.834 10 40 JHCB COc1cccc(N(CCCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 225715352 TXHYRRMZKURDQI-HXUWFJFHSA-N 473.639 3.794 10 40 JHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 408942900 RDERLTOREBKBAR-XNTDXEJSSA-N 473.279 3.603 10 40 JHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409145410 IAJUUSRRVPIZTB-VXLYETTFSA-N 477.945 3.782 10 40 JHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC)c(OC)c2)C1=O 409221526 ROBIEIBSHLMGMO-GXDHUFHOSA-N 489.322 3.922 10 40 JHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409243145 ZATMDVFUIGIRQV-LPYMAVHISA-N 457.534 3.891 10 40 JHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409260501 REGONUPCMHJIIL-STZFKDTASA-N 499.523 3.996 10 40 JHCB O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 15224917 ASOOPYKACXHFKT-NTEUORMPSA-N 464.322 3.904 10 40 JHCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(CCc4ccccc4)C(=O)[C@@H]23)cc1 18180779 YZLMQFDOSNTTNR-SGNDLWITSA-N 465.505 3.728 10 40 JHCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=O)N=C2S1 41077831 IORDJBYUILGABZ-JXFDPVBFSA-N 492.941 3.679 10 40 JHCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 214691258 WIHFSKBJBSNLHO-UDWIEESQSA-N 473.982 3.951 10 40 JHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1O 408817368 LLQSYYQDQQCEBO-OVCLIPMQSA-N 461.337 3.611 10 40 JHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1 408893584 BFLZXLOUVOVEHU-DHDCSXOGSA-N 475.295 3.619 10 40 JHCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1 409132035 KNOYUZAWJKKWOJ-MOSHPQCFSA-N 455.511 3.646 10 40 JHCB