smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(NC(=O)CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)n(C)c3ccccc43)c3ccccc32)cc1 98008982 NEUWUAWHLLUJON-SSEXGKCCSA-N 533.544 2.905 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409119192 RIUJCHUDOPNPRR-STBIYBPSSA-N 599.597 2.687 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 19950639 WBFQJUGUSZILHP-WGOQTCKBSA-N 511.556 2.836 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Br)cc1 408533649 KKCQNFFZPVKXRZ-SCDDIDHTSA-N 555.126 2.669 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cccc(Cl)c1 409159545 QZMHMSOWINBFKK-WSLJYYCZSA-N 537.798 2.865 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 888089688 XRMAYSDANCORFU-NWEIJOFASA-N 525.609 2.788 50 40 KFGB CCNC(=S)NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 9271765 GGNJTIFBCCDHES-UHFFFAOYSA-N 502.622 2.567 50 40 KFGB COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2ON=C(C(=O)N/N=C\c3ccc(Cl)cc3)[C@H]42)cc1OC 95686755 CAPXRKXPGPCLOF-WJXQLBQYSA-N 550.999 2.672 50 40 KFGB COc1cc(/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104379513 IPSJTJIXZGYCIB-YBADHJDQSA-N 562.645 2.849 50 40 KFGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 408691388 ZQEDYMZDVBAUSE-OAQYLSRUSA-N 505.914 2.552 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408787408 ZSOIJFYNZGSYET-MXAYSNPKSA-N 532.962 2.677 50 40 KFGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408951372 TWDYBJAUPYVHTF-RUZDIDTESA-N 554.625 2.514 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409026911 FXWVFYNKAVENRY-VULFUBBASA-N 500.964 2.550 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)N1CCCC1 409159463 ZYTOSKGMQZWUKE-RWPZCVJISA-N 592.434 2.766 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764184 NYIPGVVSGSDTCL-PKOBYXMFSA-N 510.522 2.791 50 40 KFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58918083 CSIQAWNREZSQII-NLRVBDNBSA-N 523.571 2.777 50 40 KFGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1 408686439 NCRSCISDVSGNGM-OAQYLSRUSA-N 550.365 2.661 50 40 KFGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c2ccccc2c1=O 12598674 VSKSTJUTAAINPU-UHFFFAOYSA-N 519.583 2.877 50 40 KFGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 17595956 FRIJBJGMGOITIO-NMIZCMNCSA-N 552.657 2.895 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1C 20208652 UACAENHUKIIPAH-WGOQTCKBSA-N 500.621 2.611 50 40 KFGB Cc1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c(=O)n(-c2ccccc2)n1C 97944172 ZGEPHLPYXYPOPG-SQNSNAQRSA-N 509.198 2.767 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1 408686414 NBBJWUUTQIRYON-CRWXNKLISA-N 536.604 2.744 50 40 KFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408799058 JRUKUZXBEDDMLO-QDTIIGTASA-N 525.949 2.902 50 40 KFGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1O 408958222 XXXUJSSTBREIAV-CKWAUKHYSA-N 522.558 2.849 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)N1CCOCC1 409156283 NJMYRWDNKBQMLB-MZJWZYIUSA-N 608.433 2.633 50 40 KFGB COc1cc(/C=N/NC(=O)CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O 1899313 VWXSLFVNMORSGH-NZRSMXNRSA-N 558.183 2.631 50 40 KFGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3CN3CCCCC3)cc2)c1 2339704 FIWVAISHBIQYOU-RWPZCVJISA-N 515.578 2.870 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764183 NYIPGVVSGSDTCL-MJGOQNOKSA-N 510.522 2.791 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 100918909 GGGHBCSERVOUCS-QGZVFWFLSA-N 532.669 2.788 50 40 KFGB CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCSSc2ccccn2)cc1 306147405 YMBCOKQFJNGLRV-UNMCSNQZSA-N 591.760 2.603 50 40 KFGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 408691387 ZQEDYMZDVBAUSE-NRFANRHFSA-N 505.914 2.552 50 40 KFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)cc(I)c1O 408721554 STSFMJOXCRUXDF-QPJQQBGISA-N 582.156 2.892 50 40 KFGB O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408721626 KEBSQAFIBVDXIH-ZVSVJSTQSA-N 547.058 2.554 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(OC)c3)S(C)(=O)=O)cc2)cc1 408855753 DAJFJKNESPZRGX-JVWAILMASA-N 540.598 2.638 50 40 KFGB O=C(CNC1CCCCC1)N/N=C/c1cc(I)cc(I)c1O 409385674 JAWAQWUGCHKZOP-UFWORHAWSA-N 527.144 2.974 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cc(Cl)ccc2OC)cc1OC 408859900 VFXDIJWXGVRSSH-IPPBACCNSA-N 591.042 2.576 50 40 KFGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NC[C@H]3CCCO3)o2)cc1 408878417 ANFPITHZRJWHIS-UYNMVUAKSA-N 538.626 2.724 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c(OC)c1 408950890 SOQSSLFVSFRPLD-GDWXBDPWSA-N 653.386 2.634 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(I)c1O 408999942 URFXNRUJOVXARS-UZODHMQISA-N 690.491 2.566 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 103864896 RIIBGCBEZDQRPQ-FMCGGJTJSA-N 554.341 2.569 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)c(OC)c1 408951265 IGCQEGHYFNGPST-SKOAPIPBSA-N 619.027 2.629 50 40 KFGB CCc1ccc2c(c1)/C(=N/NC(=O)c1[nH]c(C)c(C(=O)N/N=C3\C(=O)Nc4ccc(CC)cc43)c1C)C(=O)N2 2103239 VGTXJGYDVKQCHO-UHFFFAOYSA-N 525.569 2.929 50 40 KFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409163167 MUDGKISNSISDTQ-LQKURTRISA-N 591.459 2.963 50 40 KFGB COc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 12568401 WRQKNNMISDNMDZ-QGZVFWFLSA-N 511.556 2.811 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476212 HXDBNANPTAZNFG-WPWMEQJKSA-N 541.561 2.916 50 40 KFGB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 102995344 UUBDACYMPDRWEE-INIZCTEOSA-N 595.497 2.686 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408677519 ATCDHIZATWQPDX-LJPMKNOESA-N 592.668 2.997 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 408830076 LJBWMDRVCMRLCV-RDRPBHBLSA-N 538.626 2.697 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408874284 ZTMLZMHELLSCFQ-JBIOKXMTSA-N 595.634 2.614 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)c(OC)c1 408950640 HFEWINDBCTWWFD-SNRYJIMGSA-N 605.000 2.541 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408992710 BGKOZQDVFAQYRV-FMCGGJTJSA-N 507.341 2.727 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccc(I)cc1 409026736 WLMSUDGJGAFRRO-LQKURTRISA-N 620.469 2.903 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409153247 MFEVKOOOCRDPMS-OPEKNORGSA-N 564.380 2.663 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccccc1Cl 409159771 XIHHBEPZNZFMCK-OLWYRFLESA-N 537.798 2.865 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OC)c1 409169629 QJZQHKULLGZILT-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(N)=O 409225705 NZDIJASZFOCVQV-LFYBBSHMSA-N 522.255 2.618 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857185 KORFDENQDJALFV-ZVHZXABRSA-N 543.514 2.866 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cccc(Br)c1 100858386 WZJSXCOGJUNTTL-XKZIYDEJSA-N 544.269 2.668 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(I)c1 408941643 FAPRFBPIQAOGHB-NRFANRHFSA-N 594.431 2.882 50 40 KFGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NNC(=O)c1ccc(Br)cc1 408681980 JXOHVXGXFFMBHJ-UHFFFAOYSA-N 528.359 2.996 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(Cl)c1 408690580 VZMXDXKLYQCRBI-YULKNUEKSA-N 562.642 2.990 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(OC)c1 408925525 UMUGMOMPJCAACW-UFIDKHRZSA-N 562.535 2.983 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409375624 NEAYCCBMJFMIGL-GOTSBHOMSA-N 534.521 2.609 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1 59443679 GHYLVKSVGLTJKD-MFKUBSTISA-N 509.544 2.894 50 40 KFGB Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C1/C(=O)N(CCBr)c3ccccc31)n2C[C@@H](O)COc1ccc2ccccc2c1 97966777 XWQIOFWBYGPZOL-AXQQZXIPSA-N 632.475 2.574 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 409385042 GTNGUZNUHNFOAZ-FTJBHMTQSA-N 645.577 2.846 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770103 CWBGRWACBZQWRW-TZIWHRDSSA-N 504.568 2.521 50 40 KFGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)c1 409259425 ZBXZTJQCKYFEPH-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CSCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)Cc1ccccc1)C(=O)NNc1ccccc1 5699328 UQEUZSKJIFIONU-LEWJYISDSA-N 524.734 2.609 50 40 KFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)N1CCOCC1 51330998 RDFOOVOFCPLXIL-NRFANRHFSA-N 517.498 2.863 50 40 KFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408838301 UPHUOSWDDSATJW-BHGWPJFGSA-N 517.361 2.918 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCC 408943233 HHIAGAHMAHUYPP-QHCPKHFHSA-N 526.615 2.979 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409375623 NEAYCCBMJFMIGL-DHIUTWEWSA-N 534.521 2.609 50 40 KFGB C#CCOc1ccccc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549142 SQTFHNKLUAVFOA-DEHNYIOBSA-N 506.584 2.584 50 40 KFGB COc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 97980288 TUZCJYQVCXXPBM-WYMLVPIESA-N 565.648 2.547 50 40 KFGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 408670976 XVYPOPOYESDKJR-AWEZNQCLSA-N 508.756 2.768 50 40 KFGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)c1 409250510 MQUIVHKYTKWZAD-IPPBACCNSA-N 502.527 2.816 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 8450032 MAIRMMVPQMFZTA-LBXREMGKSA-N 526.225 2.878 50 40 KFGB CCOC(=O)c1ccc(N2C(=O)/C(=C/NNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 38162215 BGLMKQDFXAHMCZ-VOZFUJEASA-N 513.506 2.852 50 40 KFGB O=C(N/N=C/c1cccc(Br)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253579701 ZYEKPKQENBVWSZ-NWJFTTBMSA-N 591.509 2.663 50 40 KFGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC(C)=O 409409349 NWXHLFWBLYFRIR-NONVMONDSA-N 519.466 2.889 50 40 KFGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 1529549257 WWAPTHVVYAZCHO-SDEFACTDSA-N 584.651 2.522 50 40 KFGB Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1I 2551629 NTKVIQGFALYQEY-UHFFFAOYSA-N 510.357 2.654 50 40 KFGB O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 12533617 YFNDFHJOMSXPEA-MRXNPFEDSA-N 504.615 2.676 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 20214431 MZFABFZBBJWLMS-OEAKJJBVSA-N 513.488 2.857 50 40 KFGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584689 LEQYBQRIKUSPLB-WWUWQWKFSA-N 580.610 2.920 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C)c1C 409260356 PEYAVSBQMJQYGD-AMVVHIIESA-N 532.553 2.825 50 40 KFGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1 12950082 MLUWYVSJYCMZNI-JOCHJYFZSA-N 503.584 2.977 50 40 KFGB Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C1/C(=O)N(CCBr)c3ccccc31)n2C[C@H](O)COc1ccc2ccccc2c1 97966776 XWQIOFWBYGPZOL-XABDBMMESA-N 632.475 2.574 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 408921582 JBZBWOVAXQVFPJ-NDZAJKAJSA-N 580.663 2.587 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 150363635 KIYXVPNYVWUDJY-ZZEVNCIZSA-N 639.687 2.931 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409112035 BMNKDCZPHVZCPC-JFLMPSFJSA-N 559.597 2.781 50 40 KFGB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408744128 YUWZZVOLNLNYTM-IYAOEYEUSA-N 506.971 2.742 50 40 KFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 409026587 STAZMLFYNDDMSW-XDHOZWIPSA-N 516.317 2.506 50 40 KFGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1 409350824 YTKXXLIWTPJWNV-UHFFFAOYSA-N 540.427 2.825 50 40 KFGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1 13401843 MLUWYVSJYCMZNI-QFIPXVFZSA-N 503.584 2.977 50 40 KFGB COc1c(/C=N/NC(=O)c2cc(CO)on2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238753 CDEVGFWPOIJBOA-ZQUQZTTISA-N 526.477 2.552 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)cc1OC 101005487 ZMQQDAFHGAMOCV-ZDLGFXPLSA-N 544.636 2.986 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408691189 YTAXZNNCNUQYME-KKGPTAGTSA-N 570.234 2.537 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408880601 KBTAOVMLMJZXIJ-OXCCTMSTSA-N 637.715 2.673 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1 408923644 JWEWTFUPOAAPBZ-HIWKEIFESA-N 523.590 2.871 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCC)c2)c(OC)c1 408953534 LXUJRCFHYVHKTC-GMSRUEHWSA-N 510.547 2.814 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2)cc1OC 409123538 CMYOHGYIIAPUAW-MOCCXMHUSA-N 610.689 2.723 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2)cc1OC 409141792 WTTXVDGPVUWUST-STBIYBPSSA-N 568.652 2.953 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409157994 WSZYLEMHUVOWHM-WAOIHUCGSA-N 547.406 2.529 50 40 KFGB COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1OC 409318850 YBFXAHOVFWPQMS-UYOCIXKTSA-N 515.158 2.857 50 40 KFGB C[C@H](OC(=O)COCC(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000439 OUUAZMMZDUIKDV-HOTGVXAUSA-N 622.499 2.990 50 40 KFGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](Cc1ccccc1)NC=O 4707718 IGMJUMLGHIBRFY-PKTZIBPZSA-N 508.446 2.918 50 40 KFGB C[C@H](NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1 408691158 YMIIJMLOTZENCE-PGMVPBOKSA-N 556.251 2.575 50 40 KFGB O=C(COc1ccc(Br)cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408740624 HNTPATHEKNUETO-XUMUCCENSA-N 509.769 2.647 50 40 KFGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408945764 LLDXDPXMOXPODK-SANMLTNESA-N 584.651 2.522 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409171367 ZUBLKUVKKBHGMU-MZJWZYIUSA-N 504.971 2.667 50 40 KFGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 8398562 HYMLITPVLJAQKJ-UHFFFAOYSA-N 531.352 2.673 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O 20060659 PSYYQHWZOOYBSL-JVWAILMASA-N 524.599 2.937 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O 100053905 VCZXETSKJBMDDV-WMPMWDHYSA-N 537.485 2.804 50 40 KFGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 3299716 LOAWYTCHHGHFQL-UHFFFAOYSA-N 517.629 2.838 50 40 KFGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc12 9381911 DBBKUUVCHZZUBG-ZIAGYGMSSA-N 506.606 2.868 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(Cl)ccc2OC)cc1OC 164787448 RUBQRRYQSLSKJX-KCSSXMTESA-N 661.133 2.949 50 40 KFGB Cc1ccc(C(=O)O)cc1NC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408672908 PDIIQYRMHJYLNQ-LPWJVIDDSA-N 502.159 2.554 50 40 KFGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408841070 ITMZZJKPSFDWOJ-PKNRUHJYSA-N 621.535 2.672 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 28213447 KEIFYIVQRHMIGR-MZJWZYIUSA-N 516.526 2.899 50 40 KFGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408771464 GPXRJYMYSHARSK-UHFFFAOYSA-N 523.527 2.580 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)c(OC)c1 408956555 REPNQVNLHUMZPX-UZXICYFGSA-N 724.505 2.970 50 40 KFGB CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nc3ccccc3s2)cc1 98002615 VRBJHIDOSUWVKM-BHGWPJFGSA-N 520.604 2.964 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)ccc1O 408780101 SCQUDYLQEDHMDG-OGLMXYFKSA-N 549.609 2.544 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1 408883830 REEMPXHRMYAQNX-LJUMEUDFSA-N 555.547 2.953 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)Cc2ccccc2)c1 409373822 ZFQSMPPOSMEUKM-YSMPRRRNSA-N 511.556 2.743 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1CN1CCCCC1 2377963 JRRPKIZDOAZJBT-JFLMPSFJSA-N 501.551 2.561 50 40 KFGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 9344447 OLDMOWXAUHDIOD-POEBIKTISA-N 505.600 2.992 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408681587 FOZCCSZBUAMIFT-NRHSGRHJSA-N 592.668 2.998 50 40 KFGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408763784 OUWRVWWEXHXURN-XNTDXEJSSA-N 552.359 2.899 50 40 KFGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1OCC 409000581 XRENJRKELZRNLU-MKCSSFGJSA-N 729.581 2.960 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1-c1cccc([N+](=O)[O-])c1 2251288 QHTYYLYQRPYICM-BHGWPJFGSA-N 530.417 2.740 50 40 KFGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c(Br)c(Br)c1O 16134338 PMNOIWKFIWWIDF-KACTZNIJSA-N 511.170 2.906 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 28213028 MEUCDGCXIXBZDN-WGOQTCKBSA-N 510.572 2.629 50 40 KFGB CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](SC#N)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 104076539 KNVWFCHBELVGHR-PLACYPQZSA-N 513.615 2.737 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150387521 MNDRUMGFNGAUDC-NPNZOBFTSA-N 730.554 2.525 50 40 KFGB Cc1ccc(NC(=O)CS[C@@H](CC(=O)Nc2ccc(I)cc2)C(=O)NN)cc1 27490450 HHKGOLHGBPMWQF-INIZCTEOSA-N 512.373 2.659 50 40 KFGB CC(/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=C\c1ccccc1 32577001 ZPPLHIDKECNBDR-SKTVKQIFSA-N 505.438 2.961 50 40 KFGB COc1cc(C(=O)N/N=C/c2c(Sc3nnnn3-c3ccccc3)nc3ccccn3c2=O)cc(OC)c1OC 97981173 ZUCNUYRKFSCHPH-JFLMPSFJSA-N 558.580 2.611 50 40 KFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 408881913 LAVUYOKXWVDDLX-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3OS(=O)(=O)c3ccccc3)s2)cc1 408972797 VNVLGQHLLJEZQT-WGOQTCKBSA-N 535.607 3.559 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409150236 AYLTWXXMJRUDHF-NHHTYEGYSA-N 561.433 2.837 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccccc1 409176284 ZWXCNSXCLHWNKL-VFLNYLIXSA-N 630.395 2.813 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409316603 ZQWRUNMZNNUEOO-MSOLQXFVSA-N 508.394 2.551 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc3c(c2)OCO3)Cc2ccccc2)c1 409370707 CPOTXPZYYBKGFV-WGARJPEWSA-N 511.556 2.774 50 40 KFGB N#Cc1ccccc1NC(=O)/C(=N/NC(=O)c1ccncc1)[C@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] 104297254 WXYCTCTYUJIRLK-HKJRUITKSA-N 525.441 2.547 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c(C)c1 408685014 KWQHCIHIQGIUMZ-TUVASFSCSA-N 530.213 2.707 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409157693 NGMFNDHFXRHQNG-LUOAPIJWSA-N 547.337 2.974 50 40 KFGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1I 59246670 LOLZIVZSNHLMID-CFRMEGHHSA-N 504.328 2.524 50 40 KFGB COc1cc(/C=N\NC(=O)CCSCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104376799 WWHFOGVOTCGARH-USYBVIFISA-N 562.645 2.852 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)c(OC)c1 408841805 LPOPESYTPUDCTB-LQKURTRISA-N 570.624 2.646 50 40 KFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1 408905622 BRJSZFDRXDUNLZ-PYGAFPFSSA-N 583.379 2.961 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408957262 TUWAZMXSYKDWCH-HPCBKEDMSA-N 612.636 2.756 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409143960 OSYPBMOSGINDQE-MZJWZYIUSA-N 557.581 2.795 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Cl)cc1 409384791 FOVPYIBWAZUGRE-WOJBJXKFSA-N 510.886 2.637 50 40 KFGB CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 70692220 AZFUPQMDKQZSAV-NZTNTKQVSA-N 515.625 2.840 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N\NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 150387524 MNDRUMGFNGAUDC-KVCPUCJMSA-N 730.554 2.525 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1 408691174 YNWJKHIYGNXCNN-NLXTZRDGSA-N 556.251 2.953 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408831904 PSSFJUOSNABYCW-YZWBXFFGSA-N 689.816 2.638 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409270379 FBXUQJLGHFXOTO-XODNFHPESA-N 522.961 2.887 50 40 KFGB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100874916 FTMTXESUGBVYCA-OMTLYAOXSA-N 500.187 2.800 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C 408682332 GBZBDZUDWVSSMV-FPCVCCKLSA-N 530.213 2.707 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408691191 YTAXZNNCNUQYME-ZRFJVYLMSA-N 570.234 2.537 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(I)c1 408941647 FAPRFBPIQAOGHB-OAQYLSRUSA-N 594.431 2.882 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)OC)c(Br)c2)c(OC)c1 408950702 HKTCDJPUOJMMQD-BKVYHCDLSA-N 633.452 2.730 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)OC)c(I)c2)c(OC)c1 408954055 MUBKQBJKCFVTCL-BKVYHCDLSA-N 680.452 2.572 50 40 KFGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)Nc5ccc(Br)cc54)c(=O)c23)C1 1783529 BXMYCUPBTZDIEI-SNVBAGLBSA-N 500.378 2.818 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccccc1Br 6133848 COPLHVYWQLFCDE-LPYMAVHISA-N 544.269 2.668 50 40 KFGB CCOC(=O)c1c(C)nc(=O)[nH]c1-c1ccc(OCC(=O)N/N=C/c2ccc(I)o2)c(OC)c1 100306937 MHRVRHSHSLWTSB-YSURURNPSA-N 580.335 2.657 50 40 KFGB COc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccccc2Br)cc1 103761469 GZSFTMYBDKUZNR-UHFFFAOYSA-N 550.412 2.943 50 40 KFGB COc1cc(/C=N/NC(=O)CCSCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104376804 WWHFOGVOTCGARH-DPCVLPDWSA-N 562.645 2.852 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(=O)c1C#N 409007049 MMSIDJWKIWSQHD-AMVVHIIESA-N 515.570 2.959 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409028037 ISZKVZKUMJDVTG-STBIYBPSSA-N 585.635 3.000 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 17376327 OYBRAMBIFKAUGG-VULFUBBASA-N 524.555 2.728 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OCC)c2)c(OC)c1 408958437 YVDMGXRANASAQZ-GLYQIKNISA-N 526.546 2.520 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408675191 AJIZRRJFACKAFR-YZEAIEHJSA-N 600.260 2.513 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccccc1 408870903 WBPOUNOLFZJAOM-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c(OC)c1 408950895 SOQSSLFVSFRPLD-IVCWAIIXSA-N 653.386 2.634 50 40 KFGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408952597 WHEQWGXHAPLCDX-VWLOTQADSA-N 536.610 2.592 50 40 KFGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409183410 CBPPQAVCINEEDG-WWUWQWKFSA-N 580.610 2.920 50 40 KFGB NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 409252593 CODCHFKQLCGPCC-SCDVKCJHSA-N 500.103 2.748 50 40 KFGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccccc1I 3116151 MOOAHGAXXBCIHZ-BRJLIKDPSA-N 547.305 2.992 50 40 KFGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNc3ccccc3)C2=O)SC1=S)NNc1ccccc1 101002432 JFRYTPLUDORSIB-FMQUCBEESA-N 586.746 2.985 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2)cc1 408981726 WMAXILOREPTFHC-CVKSISIWSA-N 508.556 2.684 50 40 KFGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N3CCOCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409313562 CLTMPGYAFACEBL-MSOLQXFVSA-N 528.414 2.722 50 40 KFGB CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)NN 5460865 MQIUTMWQFMSIHY-RPWUZVMVSA-N 550.616 2.817 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)NC2CCCCC2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408878054 ZFZYBKIWKGVATL-ZRGSRPPYSA-N 508.362 2.740 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(OC)c2O)c(OC)c1 408924018 MUASRAXMQXQDSP-GDWXBDPWSA-N 577.388 2.502 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)=O)c(OC)c1 408947003 NIEAGGXMLCJAAR-DEOSSOPVSA-N 540.598 2.506 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(Br)c2)c(OC)c1 408956653 RLJGTZOABBXKKG-FXDWWMIYSA-N 561.389 2.883 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 100351622 NZUQBBDGDBLMGS-YZSQISJMSA-N 526.571 2.996 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1C 408691086 YDQPXVIHNRHFHC-NPIBYDKASA-N 556.251 2.952 50 40 KFGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O)c1ccc(Cl)cc1 409381299 STCXMQSNISOCTI-PMACEKPBSA-N 561.330 2.996 50 40 KFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(Br)ccc2OC)cc1Cl 39986735 NSXLKCWXBGGUJS-FBHDLOMBSA-N 504.790 2.891 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)NNC(=O)c1ccccc1Cl 408682360 GEHNQGKNTGYSBI-YUEHCAIXSA-N 564.809 2.928 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408688816 XRWDJZITYVMQHI-KPIIRZJKSA-N 614.287 2.759 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cn(CC#N)c3ccccc23)c(OC)c1 408958677 ZVCVMVMIMUGPNF-VEQCHBNDSA-N 544.568 2.894 50 40 KFGB CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 64513898 OEVPPNBQSYOUCV-PXKJKYEHSA-N 577.067 2.626 50 40 KFGB biogenic Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)c1 409248451 DIMHFTHSKLVPQW-IPPBACCNSA-N 502.527 2.816 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccco1 409370143 LVOCUOKXEZBGDT-QZTJIDSGSA-N 535.292 2.883 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1Br 2173112 HJTGAGYVVDTPLU-DNTJNYDQSA-N 533.198 2.857 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(OC)c1OC(=O)c1ccccc1 2594004 OMQSKQVMFHXKGO-WKULSOCRSA-N 554.523 2.900 50 40 KFGB CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)NN 5460855 MQIUTMWQFMSIHY-ZEQRLZLVSA-N 550.616 2.817 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408679602 CRYSFWUZIALEKO-NLXTZRDGSA-N 556.251 2.899 50 40 KFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 408873121 NDNBGENCGPONGU-DBFSUHOCSA-N 515.448 2.951 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408957655 VIOPQQMSHDUTCO-WRXACXFYSA-N 564.595 2.826 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1COc1ccc(F)cc1 2592690 UNJDFJPHKKADQT-HCBMXOAHSA-N 596.171 2.945 50 40 KFGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 28212933 OOWHTFRZVQTWPG-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl 103012499 SDYBYELPZZVNHZ-UHFFFAOYSA-N 619.121 2.817 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408686974 OATWIBQWFCRCTF-IXFQNSDBSA-N 570.234 2.539 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 408767497 LKTHNMDTQFJUSL-WGOQTCKBSA-N 511.556 2.839 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1Cl 409267615 WMIJPZFNMPSHNP-BMAFUFKNSA-N 502.955 2.502 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409267825 PEXYNYKIMMOXOH-AMVVHIIESA-N 532.553 2.825 50 40 KFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)cc1C 409270869 IKERTVRUMVITPF-IPPBACCNSA-N 502.527 2.816 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1 408686778 SVANKUZYVYRALW-LHVLRZJLSA-N 548.615 2.600 50 40 KFGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1)c1ccc(Cl)cc1 409382805 PABPXQYZHXICDX-QZTJIDSGSA-N 535.292 2.883 50 40 KFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 15938516 IMVPQPDIIGWNAR-OMUYOIIPSA-N 504.455 2.959 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 100280620 JQCZXHLZRJFTAR-JFLMPSFJSA-N 527.530 2.729 50 40 KFGB CC(C)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 165342524 HYSPJPGXSALJRR-DLFZDVPBSA-N 737.767 2.808 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408538229 ZINMRGVZGRBSMM-SCWWFSKWSA-N 561.336 2.501 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408685910 MGDDOBDSOKSGGV-OTDUMZTLSA-N 556.251 2.952 50 40 KFGB COc1ccc([C@@H]2C(C#N)=C(S)N([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(C)=C2C(C)=O)cc1 5956516 GBZRSUBGIAAIIR-SMGUWTTESA-N 630.672 2.705 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)O 103522558 BGYZZUPIXBTHQV-GGGVACPFSA-N 568.664 2.640 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408681123 FCXUHJFFQTYCFI-YZEAIEHJSA-N 556.251 2.899 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(I)c1OCC(N)=O 409014633 NMQCJXFFBSSHKE-IZWKTHEGSA-N 670.417 2.665 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409170587 VPISUYFJZSMZCG-OPEKNORGSA-N 568.343 2.575 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408675483 AWWQWQKUTGBJAI-OOLZNYFQSA-N 542.224 2.563 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1 408801991 XPMUKLCJBPYOPE-NUJZUDFISA-N 553.959 2.762 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409250620 NFPUWNROPZNQFF-MTYDYXEWSA-N 517.380 2.520 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 408537764 XCMUXXCUSHWOGV-SCDDIDHTSA-N 508.126 2.826 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cccc(F)c1 409119847 QRBHQMTWVOXMIL-CVKSISIWSA-N 504.584 2.570 50 40 KFGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1OC 36250224 SKSMQJHSMVKIBT-XNRGGWSJSA-N 517.538 2.912 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 58873736 CAFHSIOVDUXWMW-OCSSWDANSA-N 518.570 2.839 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408675916 CFAGJOUYDJICFC-YWALVYIISA-N 542.224 2.509 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1OC 408879692 DSFGNRXMIKKKTC-KEIPNQJHSA-N 647.710 2.935 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(OC)c1 408921648 BSSYNWKVJVHYEB-KIQZMAHNSA-N 562.535 2.983 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(OC)c1 408926104 XLSSEFMLYMTRLD-ZLYQEWHFSA-N 519.558 2.825 50 40 KFGB CCOC(=O)COc1ccccc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408953641 XPFCLDUXIJNINE-VWLOTQADSA-N 554.625 2.514 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408997880 OSVMQLIFTHRHLR-YUMHPJSZSA-N 525.583 2.588 50 40 KFGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2OC)cc1 409152197 IOAGUJNTLWFFIT-RFJLOWGHSA-N 577.432 2.619 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409266216 PUNJRBIGWYGBET-SJVIFIHQSA-N 523.373 2.765 50 40 KFGB Cc1ccc(C(=O)O)cc1NC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408672910 PDIIQYRMHJYLNQ-RNJOBUHISA-N 502.159 2.554 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408679286 GLIZFKGEBQTZQJ-PSWKNJSVSA-N 542.224 2.563 50 40 KFGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408772694 HEUKKUHCKKYLDB-JNPOWPEBSA-N 652.536 2.895 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)c(OC)c1 408957765 VSYPTCBBBIEGQH-SKOAPIPBSA-N 710.478 2.580 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2OC)cc1 409155685 LZLSTUFYWNALCF-STBIYBPSSA-N 504.543 2.878 50 40 KFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 409255915 LWRNPIOKYOGQAQ-XODNFHPESA-N 508.918 2.853 50 40 KFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1 12250486 VIPMBTYGPFQHJS-YADHBBJMSA-N 523.567 2.982 50 40 KFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100038489 HVNMHZRZLDIYTM-DHRITJCHSA-N 506.431 2.810 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)OC)c(OCC)c1 408938707 AARGDFDMKFGIPF-AREMUKBSSA-N 584.651 2.522 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)OC)c(I)c1 408951976 UTLYPNZXOWMMFD-XMMPIXPASA-N 666.494 2.728 50 40 KFGB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)/C(C#N)=C(/C)N)ccc2OC)cc1Cl 103133602 RAFFXQIDNNHETG-OWBHPGMISA-N 523.951 2.649 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408678052 BHAHEOBGSBYEDI-ZTDCLBERSA-N 570.234 2.537 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC 409028396 NBNKUVHZFQOHJR-LPYMAVHISA-N 543.383 2.781 50 40 KFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 101006039 DSPJENZMOHMOKD-AQTBWJFISA-N 528.568 2.824 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)ccc1OC 408945585 LBVPAKYSWAQNCE-QHCPKHFHSA-N 512.588 2.589 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OCC)c1 409162899 JICFXFNHIMHEFX-DHRITJCHSA-N 503.353 2.618 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409166838 GULNELNWFLDYQV-VNNUCYRFSA-N 614.824 2.716 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409125525 AROPLGHSVNSOMF-JFLMPSFJSA-N 559.597 2.781 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)cc1 409153849 IUMSBVFUJMRZIW-KCSSXMTESA-N 578.622 2.938 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1 409254936 JVRMWONQXBDRIF-HZZGJGATSA-N 505.369 2.840 50 40 KFGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 409260260 NLJYISRXSFQTQJ-WKULSOCRSA-N 502.527 2.762 50 40 KFGB CCOC(=O)[C@@H]1C(=O)C(CN(CCCl)CCCl)C(=O)[C@H](C(=O)OCC)C1c1ccc(OC)c(OC)c1OC 104154711 RORYMSBJNFWMIT-WHUJAJFLSA-N 576.470 2.702 50 40 KFGB C/C(CCc1ccccc1)=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408781877 FMNSVAVJJPFOQE-BMNAXSRBSA-N 554.694 2.875 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 28212899 YTCFBKZNFJWLSK-VULFUBBASA-N 500.964 2.550 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1Cl 408774722 CTBCLPXXFLOPBT-MSXFZWOLSA-N 504.952 2.817 50 40 KFGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409378852 SKUYOEOQYFNZKD-WYMPLXKRSA-N 555.223 2.978 50 40 KFGB O=C(CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OCC(=O)c1ccc(Br)cc1 4157297 XLVPOSFANWBCSX-OVVVQFBESA-N 578.051 2.953 50 40 KFGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](Cc1ccccc1)NC=O 4707719 IGMJUMLGHIBRFY-XZOQPEGZSA-N 508.446 2.918 50 40 KFGB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)c1 8819227 DIXHESCELVFZDW-RGEXLXHISA-N 505.643 2.995 50 40 KFGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)C1=O 408536958 UDPXIWOXCYTPSR-LDWYRGJHSA-N 513.510 2.871 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(C(F)(F)F)c1 408684580 PEEWDOAIWKXVEC-BXLNKUBBSA-N 582.167 2.965 50 40 KFGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2cc(C)oc2C)c1 2660454 ONOIEKXYHISXFS-UHFFFAOYSA-N 506.468 2.828 50 40 KFGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3663441 KDIYZEBYIDNWSY-HZHRSRAPSA-N 520.589 2.979 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(OC)c2O)cc1OC 59443919 FPRFJVDALVAALM-WPWMEQJKSA-N 527.599 2.802 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408822738 UXNLUWQAEKQXGK-YSMPRRRNSA-N 558.569 2.975 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377483 IQXASZDEZIMTNN-PKTZIBPZSA-N 534.521 2.609 50 40 KFGB CCNc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(OC)c2)cc1[N+](=O)[O-] 12528888 ILXRURPFUNRLQT-AVQRQIKRSA-N 513.551 2.814 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 59887669 MXMRMVBWYHTCBU-KIBLKLHPSA-N 521.901 2.827 50 40 KFGB CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 408657212 GXGMGWMJKACLFE-UHFFFAOYSA-N 503.939 2.876 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408691300 ZGFINJVJPIKQAA-VYMODODKSA-N 556.251 2.952 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=C[C@@H]1C(=O)N(c2ccccc2)N=C1C 408945490 KXKWCHOAESWIQW-GBXCKJPGSA-N 548.625 2.562 50 40 KFGB C#CCOc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409232644 AVFFBJXMVRVSPW-UFFVCSGVSA-N 510.357 2.961 50 40 KFGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409254458 ZGIYJLPZKHQRIY-WKULSOCRSA-N 502.527 2.762 50 40 KFGB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102994808 CJZTZWGHTKYDAG-DEOSSOPVSA-N 623.109 2.676 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)OC)c(Br)c2)c(OC)c1 408950706 HKTCDJPUOJMMQD-JOOOUNGUSA-N 633.452 2.730 50 40 KFGB COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1OC 409316878 RJFFOMKUMVNGQL-UYOCIXKTSA-N 515.158 2.857 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409375270 IBMZXSIBBWHETL-RPBOFIJWSA-N 635.626 2.985 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(NC(C)=O)cc1 1529549134 SOPUAJNNQSGBLL-LBWPQLDNSA-N 509.588 2.530 50 40 KFGB CCOc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)[C@H](NC(=O)c2ccc(OCC)cc2)C(C)C)C(C)C)cc1 14139536 CLJHMKAKZFDEKN-DNQXCXABSA-N 526.634 2.840 50 40 KFGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c(=O)c1C#N 409197919 RYIURNODZGIJFS-QPJQQBGISA-N 541.156 2.758 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(C)=O 409375879 QJLYNCCOWGRUPM-VMPREFPWSA-N 751.698 2.836 50 40 KFGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382842 RYJVDKMMZZOCTL-FCHUYYIVSA-N 549.492 2.508 50 40 KFGB C/C(CCc1ccccc1)=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408781882 FMNSVAVJJPFOQE-NSUNUEHASA-N 554.694 2.875 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 408831068 PKTPGSQJGNZNNJ-TYBAKLTESA-N 580.663 2.715 50 40 KFGB CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc(I)cc1)c1ccc(OC)cc1 59490227 VMQQEGMXFUQPMT-KGENOOAVSA-N 515.373 2.996 50 40 KFGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 100375495 LSFODDOLGATFDP-NTFVMDSBSA-N 547.033 2.927 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1 408686419 NBBJWUUTQIRYON-SYQHCUMBSA-N 536.604 2.744 50 40 KFGB O=C(N/N=C/c1ccncc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408999331 QZGSJQGYNYBZPO-UDIPQKBFSA-N 534.379 2.726 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCC(=O)NCc1ccccc1 409170038 SATCYKZLQLNDJU-STBIYBPSSA-N 504.543 2.878 50 40 KFGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(N)=O 409222455 CUYOUBZJYJWOAX-LZYBPNLTSA-N 505.312 2.777 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 100284594 ANLVIFASIQYMIA-JFLMPSFJSA-N 586.579 2.509 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409310044 POVNGKCOHHCLFP-OALUTQOASA-N 534.388 2.838 50 40 KFGB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 4775735 WCPKITGDIAWXQN-UGNRZPKXSA-N 503.445 2.840 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 100147116 ORAWCBPEAKOAGK-MBTHVWNTSA-N 555.588 2.572 50 40 KFGB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 101052219 UTWBUOTXVVOIPF-HFQDVCRHSA-N 526.225 2.878 50 40 KFGB CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 102239501 GSSHMADOQRCHEI-YOTBPZODSA-N 512.198 2.994 50 40 KFGB CCc1ccc(C(=O)N/N=C(\C)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387433 XGTQLDPXWUNPCN-DZLSJKRKSA-N 673.719 2.808 50 40 KFGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c2ccccc21 409001329 HTBCAZCMRFEPFG-PHYWBIPHSA-N 643.697 2.683 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1 409253112 APUFYCWSXVVVJE-FDAWAROLSA-N 502.571 2.855 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409318732 XRQKKVZNXIEIOK-MOPGFXCFSA-N 522.421 2.941 50 40 KFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1 408771267 FGWINXPEMVWRJI-RDRPBHBLSA-N 563.636 2.847 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)cc2O)c(OC)c1 408938690 AACYYORTVMWAJV-VCDGJKIVSA-N 577.388 2.589 50 40 KFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 409028669 PWJOYXMCISJIRS-FYJGNVAPSA-N 513.357 2.772 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409142824 BNALYYLIMARRJO-CVKSISIWSA-N 558.569 2.975 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(Br)cc2)cc1 103761426 HSWIHAGBSKZOMJ-UHFFFAOYSA-N 577.438 2.892 50 40 KFGB O=C(O)COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 409000427 WKIPDJQNCIDMRS-UKRHJCJISA-N 544.362 2.623 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCC(N)=O 409020011 YPZSTKPLLDSXSH-GOCYDNRNSA-N 624.476 2.922 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409271829 NSGRRAPTRHTKGA-BHGWPJFGSA-N 503.353 2.512 50 40 KFGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)Nc5ccc(Br)cc54)c(=O)c23)C1 1783524 BXMYCUPBTZDIEI-JTQLQIEISA-N 500.378 2.818 50 40 KFGB CCOC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 150399050 JGNDXONLUYUXKG-CMTIAEDTSA-N 706.840 2.951 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1C 408681019 IUBKIJNKTMLKDE-VNUXUXBQSA-N 542.224 2.563 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OC 408948173 OXHOBHBOYUTZFL-QFIPXVFZSA-N 512.588 2.589 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC(=O)O)cc2Br)c(OC)c1 408952337 KBVPZBJCBDDURA-WCVKJGPNSA-N 649.451 2.650 50 40 KFGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 3115969 MPOPXOCKCAHENS-PTXOJBNSSA-N 564.099 2.977 50 40 KFGB COc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)ccc1OCC(=O)N1CCOCC1 150451670 UNVFTQGNVAFWIQ-UHFFFAOYSA-N 647.504 2.571 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 408683876 NQXZWRFDZUAVMJ-TXFWVUOCSA-N 543.963 2.536 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408926626 YWWFPRLKCNBDLI-BHGWPJFGSA-N 515.419 2.813 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409154472 BCIAXIDSPLYHSR-WAOIHUCGSA-N 547.406 2.529 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1OC 409185165 SRSNWFBVFQHPTO-MOCCXMHUSA-N 610.689 2.723 50 40 KFGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1 409321522 GRAMMTWMDZOBOW-MSOLQXFVSA-N 510.410 2.845 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 100305001 OANYJMJJSWWOAB-DXJNIWACSA-N 596.706 2.991 50 40 KFGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 110387963 LFWNPWXCCCSGJD-DICXZTSXSA-N 533.006 2.537 50 40 KFGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc1 408538217 ZGXWIMYNJZFQAF-DTIAHOPZSA-N 501.543 2.846 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)cc1O 408947012 NIXUGTGKJKFUQB-OAQYLSRUSA-N 563.430 2.745 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1 59647442 LBEYAMBTJYWQNU-NDZAJKAJSA-N 580.663 2.587 50 40 KFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc(I)c(O)c(I)c1 100460467 PDRFSHQWDZAOGN-IOXNKQMXSA-N 565.105 2.892 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408860943 IZTWGWLBKSWTQX-JVWAILMASA-N 541.582 2.601 50 40 KFGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409336818 UWOZDYBGPMUZOL-SJORKVTESA-N 516.403 2.626 50 40 KFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1)c1ccccc1 409028427 NVUJKWRJUWJODV-FQNOVECQSA-N 553.597 2.767 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2)cc1OC 409111446 CSQRPNSRJJOZCN-MTDXEUNCSA-N 583.623 2.794 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 409256509 OXKQVOWZFKRKHG-ROJKJRQJSA-N 517.380 2.520 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409260446 QJJLNBMZBYZDPF-REMUQMNCSA-N 505.369 2.840 50 40 KFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1C 409270433 FXCCBVVFQINISR-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 59443733 AYRFQJYKZDCCEO-YZSQISJMSA-N 523.571 2.937 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 105583284 QVVKNHWLHBVICX-OGLMXYFKSA-N 535.582 2.902 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408686086 RZVQRURZYJIAOM-LRGYGIHKSA-N 540.370 2.603 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408837367 DFCYNJJGZWPJOQ-BIZUNTBRSA-N 618.716 2.733 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(I)cc1)S(C)(=O)=O 408927169 YMSTWKAGHYDSHQ-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409157993 WSZYLEMHUVOWHM-APYSBUGJSA-N 547.406 2.529 50 40 KFGB CCN1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2\C(=O)N(CC)c3ccccc32)c2ccccc21 2227043 LTAQJCHXWARNLF-ZPEMYOGYSA-N 502.575 2.711 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)c(Cl)c1 59883377 IQJYPLXBZWQTNU-IPWRAFNYSA-N 557.456 2.584 50 40 KFGB COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 102996204 HZTMXPFMXHNROZ-UHFFFAOYSA-N 551.408 2.994 50 40 KFGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCOCC1 408757767 BTVOWNRMXSRAMZ-RVDMUPIBSA-N 522.333 2.891 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408873085 MSBHBLPJXCPMBI-HNSNBQBZSA-N 649.682 2.906 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409134523 UGNKAARRGKOIDV-UXHLAJHPSA-N 643.675 2.811 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 408864538 XAZLPUCDGNDCSX-IIELIFRRSA-N 568.652 2.876 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409170419 VODJEZARWHPBEY-FCUAXUHVSA-N 566.396 2.991 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C 409263738 MJCFDPKZLZXSST-IPPBACCNSA-N 518.526 2.516 50 40 KFGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)C(=O)NC2=S)cc1C 408747268 LIPQZNXRYCCQTN-WJRZFDRGSA-N 500.580 2.705 50 40 KFGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408776507 PIACGCYHKLFOJY-CFRMEGHHSA-N 504.952 2.899 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCC#N)c(OC)c1 408957805 WEFPLQNKNDAANH-SOVLZJSYSA-N 677.452 2.931 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409114475 JVOUBVCFSWAQTI-KBVAKVRCSA-N 628.704 2.970 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1OC 8819495 KICCJYJBYCWMPE-UYRXBGFRSA-N 501.586 2.852 50 40 KFGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 20212424 QDJAHLHHVDJKDU-CVKSISIWSA-N 521.039 2.956 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc(OC)c1OC 408537788 XGORGMWAMDREQB-BLTJSFDWSA-N 573.562 2.888 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccccc1 409263331 MCRWPLWJUJWGBK-RPPGKUMJSA-N 529.347 2.835 50 40 KFGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1ccccc1I 2551589 RVMGEJCHWPQPHV-UHFFFAOYSA-N 530.775 2.999 50 40 KFGB COc1cc(C(=O)N/N=C\c2ccc(O)c(I)c2)c([N+](=O)[O-])c(OC)c1OC 30802819 OHASSUBQPPQUCW-UWVJOHFNSA-N 501.233 2.695 50 40 KFGB O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 100960256 JEVXAUCVYRTYKI-UHFFFAOYSA-N 528.588 2.996 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 105583514 REXHFKVSDZNJJN-LQKURTRISA-N 568.608 2.551 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1OC 408863065 KNQUIXYBYHXARP-IIELIFRRSA-N 568.652 2.876 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OC(C)=O)c(OC)c2)c(OC)c1 408955535 OVPHHVRVVVHKQT-APVBSFROSA-N 680.452 2.954 50 40 KFGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(C)=O 409375877 QJLYNCCOWGRUPM-FQLXRVMXSA-N 751.698 2.836 50 40 KFGB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1 13131440 NFGYZENEFFDPJV-QFIPXVFZSA-N 508.962 2.744 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNC(=O)CSc1ncnc2sc(C)c(C)c12 102994641 DOJDEDOFEBYRAL-UHFFFAOYSA-N 524.719 2.977 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc(OC)c1OC 408530768 FSTJCWMARYQPKB-XFIBEDIFSA-N 577.594 2.564 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)NCc1ccco1 408612504 VRTLYMFZJYMJQX-KBKYJPHKSA-N 517.311 2.965 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1cccc(Br)c1 408744442 ZVGFZCGEPMIULI-SCDDIDHTSA-N 524.194 2.991 50 40 KFGB CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCC(=O)O)c(I)c1 408780879 MPEXXBQXMIVNSG-KMKOMSMNSA-N 540.095 2.791 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408837377 DMPTZTVTWKUQJZ-VJKRCDFGSA-N 538.626 2.868 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409165771 BLJLIWLZSUSDRF-MUKDWXQFSA-N 567.824 2.874 50 40 KFGB O=C(CCC(=O)NNC(=O)COc1ccc(Br)cc1Br)NCc1ccccc1 2134686 GNIHKIXDQHDYSJ-UHFFFAOYSA-N 513.186 2.834 50 40 KFGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)ccc1Br 408684414 JYLMTGJWADXWGR-LFYJYPCRSA-N 518.191 2.705 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2)cc1 408825004 CFEYRCUWVRRAKT-VUTHCHCSSA-N 550.637 2.578 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409153407 HXPPKNQFQACZJE-BRJLIKDPSA-N 505.369 2.624 50 40 KFGB O=C(O[C@H](C(=O)NNC(=O)c1ccco1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409382808 PABPXQYZHXICDX-ZWKOTPCHSA-N 535.292 2.883 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 15978453 NDFHRUBVWHAGAJ-HZPDHXFCSA-N 523.999 2.605 50 40 KFGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3I)s2)ccc1O 408731287 LNSVRQLJVDJAAV-UFFVCSGVSA-N 537.339 2.802 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc(Br)c1 408861331 CDLUJSVMLGMMGX-MFKUBSTISA-N 551.463 2.757 50 40 KFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)cc1OC 409321377 GBCRGIPBEDJQEP-MYKKPKGFSA-N 539.326 2.501 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1cc(C(F)(F)F)ccc1Cl 59882656 WCFDGENEILNSBC-JDLKFOHLSA-N 591.008 2.949 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 100306252 ZALLUBKSJUCLCA-JFLMPSFJSA-N 529.546 2.960 50 40 KFGB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)[C@H]1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408744288 ZIXQEFSMDPYGSC-IYAOEYEUSA-N 551.422 2.851 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCC(N)=O 408872162 AEJRCIMOHVCFPA-XIMCHAMWSA-N 634.880 2.511 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409258710 ZJNDSQWDIZJCMS-OPEKNORGSA-N 517.380 2.821 50 40 KFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 59857147 HGKXHHJGBFNBQT-CVKSISIWSA-N 558.569 2.975 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)cc1 102995202 YIIIABCDNODWGP-UHFFFAOYSA-N 621.137 2.565 50 40 KFGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409257590 QXQVLWMDIGSADF-WKULSOCRSA-N 502.527 2.762 50 40 KFGB C[C@H](OC(=O)COCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000441 OUUAZMMZDUIKDV-IYBDPMFKSA-N 622.499 2.990 50 40 KFGB O=C(NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NNC(=O)c3cccs3)cc2)cc1)c1cccs1 3287624 FLNPVUFPYXQFTN-UHFFFAOYSA-N 578.675 2.849 50 40 KFGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1F 6181568 LVILWKIZXAMXEC-UHFFFAOYSA-N 511.535 2.526 50 40 KFGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 103019920 KVNSLOGSEQHNQH-UHFFFAOYSA-N 561.620 2.812 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C#N)C=CN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 253488076 WPJSCVOHMKPYEI-RYFAJOAYSA-N 515.438 2.530 50 40 KFGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(I)c(O)c1 408848389 UJZWDKAVSGBPMZ-DJKKODMXSA-N 520.121 2.953 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(N)=O 408857477 OMGFCZFFDCSRPC-ROJKJRQJSA-N 587.880 2.669 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 408875737 KKWSHFYHLHOHLE-NVJOKUIPSA-N 562.366 2.947 50 40 KFGB CCCc1ccc(O[C@@H]2O[C@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1505840624 HYHMWEKPMRVSDV-YMQHIKHWSA-N 534.343 2.973 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 2104585 XRMAYSDANCORFU-UNRVFZHFSA-N 525.609 2.788 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408531939 HPMNXGMSHHNFLY-BIXBROTJSA-N 538.314 2.909 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408688758 XJEDXNVBSGKGND-YMKLRKBFSA-N 582.167 2.965 50 40 KFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1C 409377936 KRMZLJYRDOSFQL-LGJNPRDNSA-N 503.397 2.866 50 40 KFGB CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 408668657 VHZXXCRFBJKXMI-UHFFFAOYSA-N 548.390 2.985 50 40 KFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1C#N 408997579 RWJCBLPWXXETMV-WGARJPEWSA-N 548.381 2.923 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 15953503 XRMAYSDANCORFU-LUDVZPAQSA-N 525.609 2.788 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408828528 HNDPHZIWUFPWDF-JVWAILMASA-N 541.582 2.601 50 40 KFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 8819584 FZZKVTHKSPYDQU-RGEXLXHISA-N 513.597 2.924 50 40 KFGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 9191979 AODDGBHKVHDXKG-WQQBQYIPSA-N 505.600 2.990 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl 28212939 AYDSCCNIUGOTFC-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)c(OC)c1 408925558 UTSRBBRDLNKMBQ-FXDWWMIYSA-N 561.389 2.796 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c(OC)c1 408944904 JWPWEIXVMBIYCE-NRFANRHFSA-N 624.457 2.890 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409157820 NOVCEOVNECMYPB-CJOYWQKLSA-N 608.433 2.679 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Br)cc2)ccc1OC(C)=O 409379827 ZWXBZYJTMCQIGR-FTJBHMTQSA-N 731.461 2.614 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408769449 VEERNFNINQPJOA-AFUMVMLFSA-N 528.543 2.972 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1C 409165046 RQODMFAGKKBZJV-BHGWPJFGSA-N 505.369 2.758 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1cccc(Cl)c1 409250435 LQLCZAXFBAVHHG-XODNFHPESA-N 508.918 2.853 50 40 KFGB COc1cc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 2269572 KXNGDQNIZWXBAE-NVQXNPDNSA-N 538.564 2.621 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 8384347 UBJROIRVZJWFBJ-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2)cc1OC 9056950 ZCOWQFATOATVEI-CVKSISIWSA-N 511.556 2.743 50 40 KFGB N#CC1=C(N)n2c(s/c(=C/c3ccc(Br)o3)c2=O)=C(C#N)[C@H]1c1ccc(Br)o1 409336326 NPRZRHPXTINXBH-LYOQKUPSSA-N 520.162 2.572 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1Cl 408816622 VAASFTBQTAKSQT-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408844008 UTGJWNUSCMGTGQ-VUTHCHCSSA-N 535.626 2.819 50 40 KFGB COCCCNC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 8452649 AYKMLDWXSOYEFA-XKJRVUDJSA-N 636.365 2.939 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 19953018 LRNNXGZVUBUCPA-OGLMXYFKSA-N 521.574 2.969 50 40 KFGB O=C(NNC(=S)NC(=O)c1cc(I)ccc1I)c1cccs1 100341020 FVLIQDLTYWIRSL-UHFFFAOYSA-N 557.176 2.907 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cc(I)cc(I)c1O 150408769 GOUOUDADEYEQIB-KSEXSDGBSA-N 733.164 2.821 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408675859 CBYJPAODJQTHIW-KPIIRZJKSA-N 614.287 2.903 50 40 KFGB C#CCOc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 408947085 NQQZDGSFJNRTNI-XMMPIXPASA-N 536.610 2.592 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)c(OC)c1 408957885 WOPNKSWNJUOKSW-GVYDMDKTSA-N 710.478 2.882 50 40 KFGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCCBr 408970302 FPPCQQQKQCVOEO-ZMOGYAJESA-N 532.420 3.574 50 40 KFGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 16189208 RQPXSDQBHVXXFC-JOCHJYFZSA-N 503.584 2.977 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 408947849 OILLDPCDUAGLNN-FQEVSTJZSA-N 592.428 2.948 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 1529547028 IGBUSLSYVBHGER-LWVVSQLESA-N 542.614 2.597 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 15014066 SRRINPOYGUFLIH-OPEKNORGSA-N 517.380 2.821 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)cc1O 1529545127 XVDKKDUCTWQIKT-FAPJBXQOSA-N 610.430 2.587 50 40 KFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 28213213 VODFMKDSKBMDPX-WPWMEQJKSA-N 514.648 2.993 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408683062 HHSDZTWSJSEGGO-KBXIAJHMSA-N 530.213 2.707 50 40 KFGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)o1 408721154 LJYXMXYFOURLCL-OPEKNORGSA-N 502.447 2.996 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409161241 ZRXDZTHYIGAYKI-KKMKTNMSSA-N 590.374 2.985 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409252763 SVKAFTKZXNPXES-BHGWPJFGSA-N 503.353 2.512 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc2)c1 409369510 PKNUQKKIPCFTIG-YSMPRRRNSA-N 542.570 2.962 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Br)c1 408785211 ZXHSXZVGJCNHFG-UUYOSTAYSA-N 505.350 2.609 50 40 KFGB Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1O 3287972 CMBKXYWCYLDTEW-BHGWPJFGSA-N 519.377 2.915 50 40 KFGB CCOc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)c(OCC)c2)C=3C#N)ccc1OC 97968499 OGPSPRBWFWXIBX-CYOCHTPRSA-N 530.606 2.676 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c(O)c1 108913633 NMKHXAIAPOYQHL-CKWAUKHYSA-N 539.589 2.577 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408688257 QIGPRBFTHXNNGT-IRJMCIBISA-N 556.251 2.897 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)NNC(=O)c1ccc(Br)cc1 408688510 XDFYOJNWOLGVPL-HDLCADABSA-N 588.414 2.646 50 40 KFGB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)[C@@H]1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408744294 ZIXQEFSMDPYGSC-QDCCHXAWSA-N 551.422 2.851 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1Cl 408927516 WJWGEADYLXJHAS-APYSBUGJSA-N 557.456 2.584 50 40 KFGB CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl 5179499 BRGPJZPHCVTNNI-YADHBBJMSA-N 502.011 2.979 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408688273 QIRICLNHGFXUTF-XGUBFFRZSA-N 530.213 2.653 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2)c(OC)c1 408725990 OJBLLZOCKCCECM-MFKUBSTISA-N 512.544 2.953 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 100145474 VLQXPTOZRLULKE-VFLNYLIXSA-N 623.475 2.571 50 40 KFGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1C#N 409004643 AYKARHFVMPQNSB-CPDSRJINSA-N 547.568 2.972 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 100308884 BGZRQVLDJVYQGH-NJLKOBJSSA-N 532.597 2.769 50 40 KFGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)c1 408611845 XAUSTZXMLZRQRH-RPPGKUMJSA-N 529.347 2.835 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)NNC(=O)c1ccc(Cl)cc1 408684640 KAFPGIGOTDMYFE-VTLVALNESA-N 564.809 2.928 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1C 408691085 YDQPXVIHNRHFHC-NDBASXRHSA-N 556.251 2.952 50 40 KFGB C=CCOc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cccc1OC 408954787 NNIAZTCKBKIAJM-GBTJHXGGSA-N 552.584 2.989 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409262286 HJXVBTVDQDBUBL-VNNUCYRFSA-N 523.373 2.765 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1c(O)ccc2ccccc12 100870582 CYCIMHJJVZBVBX-MYYYXRDXSA-N 531.432 2.765 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408841474 KPENZOFGTOYGJM-LQKURTRISA-N 555.609 2.910 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)cc1 409271785 NCEXWIWKHVZQNG-WYMPLXKRSA-N 503.353 2.594 50 40 KFGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccccc2)cc1 409378419 OYQGJEODUKMOQT-VXKWHMMOSA-N 504.495 2.600 50 40 KFGB CCOc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(Br)c1O 2447358 FXJHDBPWTCWRLQ-NUGSKGIGSA-N 500.313 2.686 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2)cc1 100350568 IXDSCTHZMIFKHZ-OVVQPSECSA-N 553.597 2.786 50 40 KFGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)C2=O)cc1 408533250 JRWIPRWUIDUZFR-FEGPCZTRSA-N 513.510 2.871 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)O)c(Br)c1 408947978 OJHXFCNQJGEBHI-HSZRJFAPSA-N 605.467 2.798 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 20061279 ABAORDDYKZFAOU-JVWAILMASA-N 525.583 2.901 50 40 KFGB CCOc1cc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(I)c1O 36077419 DBYRNBLITSBQBL-AFPJDJCSSA-N 501.708 2.929 50 40 KFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408614240 ACRBLOYWTRLHHM-STBIYBPSSA-N 504.543 2.878 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408857245 JYZFGCOJBBISDT-STBIYBPSSA-N 568.652 2.953 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)c(OC)c1 408922947 HUZDQWVBYMNAMP-HIWKEIFESA-N 539.589 2.999 50 40 KFGB NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409253202 FEADRHQXBZBQRW-SCDVKCJHSA-N 500.103 2.748 50 40 KFGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccc(OC)cc1 8694327 YLQMQMKXSYOVTD-JOCHJYFZSA-N 504.543 2.926 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332478 FOPYZVYDRGZOHW-CVKSISIWSA-N 556.553 2.729 50 40 KFGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408678437 FMTBEMFRBJUVCO-QIVAEQKXSA-N 557.990 2.925 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)S(C)(=O)=O 408865074 AXGPNFBEIBSHOZ-WSDLNYQXSA-N 514.398 2.781 50 40 KFGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1OCC(N)=O 408908667 AWPAABOFIKJWRE-NUGSKGIGSA-N 531.734 2.737 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)O)c(I)c1 408940438 CKZBMEHXFPGGFV-QHCPKHFHSA-N 652.467 2.640 50 40 KFGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409336810 UWOZDYBGPMUZOL-DLBZAZTESA-N 516.403 2.626 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 28213132 FVUPWEDRQAFENF-STBIYBPSSA-N 522.627 2.915 50 40 KFGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)SC1=S)NNc1ccc([N+](=O)[O-])cc1 150444831 MPQRZXASAAMPCM-FMQUCBEESA-N 676.740 2.802 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408724776 AORYNDIQJWQTME-MFKUBSTISA-N 528.543 2.966 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1 20211123 NEBZPYFLBFKODF-YDZHTSKRSA-N 502.505 2.788 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59646783 TYCXSLMGZKAHAL-MUFRIFMGSA-N 613.649 2.861 50 40 KFGB CN(C)S(=O)(=O)c1ccc(C(=O)NN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(Cl)cc2)cc1 102835128 UFQXEWDQBBFYKD-UHFFFAOYSA-N 565.073 2.832 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408678046 BHAHEOBGSBYEDI-KKGPTAGTSA-N 570.234 2.537 50 40 KFGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NNC(=O)c1ccc(Br)cc1 408684922 PWMSHDLBTHIPIY-UHFFFAOYSA-N 536.338 2.863 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1 408862894 NMKFPQKUJIWMCH-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 409153509 IFVKGWNSESOUSJ-NHHTYEGYSA-N 561.433 2.837 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Br)o1 1529544853 QVTUYCLLORHOQZ-LCLGRWFKSA-N 521.393 2.927 50 40 KFGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 16157825 NILZPRWZVNWSBY-OCCSQVGLSA-N 506.154 2.514 50 40 KFGB N#CC1=C(N)n2c(s/c(=C\c3cc(Br)ccc3O)c2=O)=C(C#N)[C@H]1c1cc(Br)ccc1O 101660013 JEVZVNWWWPIYHH-BHLUFBHMSA-N 572.238 2.797 50 40 KFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])c1O 101665256 CMYNZAOJXHDMLT-ODCIPOBUSA-N 519.268 2.988 50 40 KFGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccc(Br)cc32)cc1 103549193 DDOFOYDREXONKQ-GSXAZOLBSA-N 606.477 2.942 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1cc(Cl)cc(Cl)c1 408876568 MINZVOBSWJRMIU-DQMKJMRDSA-N 557.456 2.584 50 40 KFGB CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(N)=O 408976654 BNEXWTQJNMKQPG-WWUWQWKFSA-N 538.626 2.818 50 40 KFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C 39948761 AZSPXCBXKGRXNS-RYFLRGTGSA-N 523.989 2.518 50 40 KFGB O=C(COC(=O)CCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 408663050 KQKYTQLDVMMZCS-UHFFFAOYSA-N 527.169 2.935 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2)cc1 408830698 NLJPWCAYIVBKGK-IAEWTUJKSA-N 580.663 2.715 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)c(OC)c1 408958393 YLDMBLQOYXXTCT-SKOAPIPBSA-N 619.027 2.931 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCC(=O)O 409241361 RTVCLBQJRCCAKW-YVNNLAQVSA-N 500.264 2.985 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OC)c1 1529544465 IGHMNKMKWNUWRS-NSZYMRRGSA-N 512.588 2.589 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344056 HEDCEZAVYDKVCU-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2O)c(OC)c1 408926644 YZPGPGCLEOAQNQ-ALUCDORFSA-N 516.938 2.774 50 40 KFGB C[C@H](OCC(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 725383104 SFCYDJWPAWYUMF-HNNXBMFYSA-N 608.472 2.602 50 40 KFGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1OC 13602543 SKSMQJHSMVKIBT-OOBCZENPSA-N 517.538 2.912 50 40 KFGB O=C(CNC(=O)c1ccccc1Br)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 15134188 DSSSFRWNSCISFA-SCDVKCJHSA-N 500.103 2.706 50 40 KFGB CN1CCN(Cc2c(C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)nnn2-c2nonc2N)CC1 97966671 CZMVWSHPLJSIKZ-VFLNYLIXSA-N 585.456 2.630 50 40 KFGB N#CCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O 408532789 RBMNCHQOSOTILL-SFQUDFHCSA-N 526.391 2.918 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408685010 KVROAUXTXFHCRC-VTAJJLHNSA-N 542.224 2.645 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N(C)C)c1C#N 408996627 JKUDCIFBTVKWPB-AQHIEDMUSA-N 505.329 2.674 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)cc1 409120574 UJCILUDJHBFANF-VUTHCHCSSA-N 550.637 2.822 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409128211 ISGWLNCCDLZAKA-VULFUBBASA-N 592.415 2.501 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409383044 TXAGVAOAWGAUCL-RPWUZVMVSA-N 561.547 2.559 50 40 KFGB CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Oc2ccc(Cl)cc2)O[C@H]1CI 70670126 JYQSZRQLYLAOEK-RZFLPCETSA-N 526.707 2.674 50 40 KFGB biogenic O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 102994771 FWHFUOLPYARUDS-PMACEKPBSA-N 564.542 2.609 50 40 KFGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409151064 GDDJFCYMFGIVGH-VFLNYLIXSA-N 583.395 2.970 50 40 KFGB O=C(N/N=C/c1ccccc1Br)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 100054173 JGZPLIVKRBHTBG-NWJFTTBMSA-N 591.509 2.663 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408957825 WJYYCGOWZFRUPB-JCJXWKAISA-N 724.505 2.970 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1 409025701 YXHIQRLHFVVINH-CVKSISIWSA-N 555.569 2.537 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409168158 KUQCCGQUJUOXPT-OPEKNORGSA-N 505.369 2.678 50 40 KFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 3335552 GQHSATSUHRHXTQ-UHFFFAOYSA-N 551.577 2.775 50 40 KFGB Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 12604451 FXKJPDGMDMWKDS-YBFXNURJSA-N 511.556 2.987 50 40 KFGB CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](SC#N)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 104076536 KNVWFCHBELVGHR-XSDIEEQYSA-N 513.615 2.737 50 40 KFGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)c1 408537904 XZMKJUOXYQKZFV-PFBMKQIGSA-N 501.543 2.846 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 409381096 DYTGNHBVJZUNHU-BJKOFHAPSA-N 585.525 2.829 50 40 KFGB CN(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccc(Br)cc1 100143342 ZGRVIEQUOOCYRQ-DNTJNYDQSA-N 533.198 2.711 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408859767 QIUPVJIKCDFZOC-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 20287351 QLNICTOWWPDBTC-UNOMPAQXSA-N 516.308 2.832 50 40 KFGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cccc2OC)cc1 408610324 SVFJFEPTOJNHPD-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1 408689362 YQIZXVRNDHGMBF-LHVLRZJLSA-N 593.066 2.709 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408862458 ZBBZOBAWALMGBB-OVVQPSECSA-N 553.597 2.786 50 40 KFGB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101052215 UTWBUOTXVVOIPF-NQCCDEFSSA-N 526.225 2.878 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)N1CCCC1 409156590 KOVBPHHDRBSYRF-LGJNPRDNSA-N 582.370 2.919 50 40 KFGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1 2738452 FTWTUSNFNKXRNG-YSURURNPSA-N 508.370 2.688 50 40 KFGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9003981 PDRHRZUZRSWWIY-DQSGYLJSSA-N 506.584 2.995 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100344039 DFLXKHFSPUZNRB-CVKSISIWSA-N 524.555 2.697 50 40 KFGB O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1 150371931 DMELAKBCMLVGAQ-AIQXTLEGSA-N 710.527 2.817 50 40 KFGB CCc1ccc(C(=O)N/N=C(\C)[C@@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387436 XGTQLDPXWUNPCN-PUSMVNMPSA-N 673.719 2.808 50 40 KFGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 8449640 ROIGSQZNJHPUNL-AXXSPHBISA-N 527.209 2.889 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 409153898 IXOVBHASCOLREM-LUOAPIJWSA-N 500.861 2.589 50 40 KFGB O=C(CO/N=C/c1ccccc1Cl)NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 20510151 DMNHGWPYPKTYLL-FEGPCZTRSA-N 504.930 2.745 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408687170 OJPJNJHQVVTBLL-FZKCQIBNSA-N 530.213 2.707 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408688272 QIRICLNHGFXUTF-TUVASFSCSA-N 530.213 2.653 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409153092 KTEDEKVJGKFXDR-STCBLWGXSA-N 622.460 2.988 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409266214 PUNJRBIGWYGBET-GWSQHKCYSA-N 523.373 2.765 50 40 KFGB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccc(N(C)C)cc4)cc1)N(C)CC3)OCO2 70670099 YFNDTORUBHZDHO-OSLARZAXSA-N 554.611 2.807 50 40 KFGB biogenic CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408609610 KMRNIPRZENVSQL-OPEKNORGSA-N 505.369 2.678 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@@H]2C(=O)OC)cc1 409334514 SKQSYRIEYRNQNK-NHCUHLMSSA-N 509.540 2.591 50 40 KFGB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NNC(=O)COc1ccc(Br)cc1 13076298 ANYYSWSNBZQFHT-UHFFFAOYSA-N 501.333 2.996 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]21 408690770 WPSDCHGFIWLSKB-ZHODDXKCSA-N 507.930 2.660 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408831902 PSSFJUOSNABYCW-YTALNAKKSA-N 689.816 2.638 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1 1529548611 JZCDJHQPGYSUPI-WEPCQLIISA-N 570.624 2.514 50 40 KFGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c3ccccc3C2=O)cc1C 6144085 WVGZQELPWLEVAJ-ITYLOYPMSA-N 560.632 2.787 50 40 KFGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 97980699 ABDGCNJQGDOPQC-VUTHCHCSSA-N 536.658 2.874 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 408862136 CREBFZZEUXYGBK-UXHLAJHPSA-N 568.627 2.717 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409160347 XZLAPGPQJIELME-BRJLIKDPSA-N 503.353 2.536 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1 409167904 KAHFLMKKLKUBKD-BRJLIKDPSA-N 505.369 2.698 50 40 KFGB CCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2\C(=O)N(CC)c3ccc(Br)cc32)c2cc(Br)ccc21 97965369 AEUBDNIPAMUDRB-FJWSNAJBSA-N 604.259 2.676 50 40 KFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 100145452 SGKZUWQNVAZCQY-RUMWWMSVSA-N 587.658 2.918 50 40 KFGB C#CCOc1cccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 408950950 SSIQYHOBIMLKFX-DEOSSOPVSA-N 506.584 2.584 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409143940 NOAFFFGTBRKHFJ-WGOQTCKBSA-N 511.556 2.836 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)N1CCOCC1 409155060 LIUXLEWFYGSHGJ-JFLMPSFJSA-N 561.433 2.737 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100284686 XWRLQYDEOHJJCZ-MIXAMLLLSA-N 566.636 2.581 50 40 KFGB CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O 100768945 AZFUPQMDKQZSAV-OKUWEWRDSA-N 515.625 2.840 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)cc1 408689359 YQIZXVRNDHGMBF-BXLNKUBBSA-N 593.066 2.709 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](C)C(=O)O 102012992 NXGNMVVABGFORM-SFZTYLFDSA-N 568.664 2.638 50 40 KFGB NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 102994688 BLLSPYHYCWOWNO-OAHLLOKOSA-N 538.866 2.577 50 40 KFGB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]2C1 408688263 QIHXVDNRJOTTHD-UAOJZALGSA-N 542.386 2.993 50 40 KFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408779031 PHIAEBAEECCBFB-MSXFZWOLSA-N 549.403 2.926 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 409028062 JGEJFLYBJBFRMI-WGOQTCKBSA-N 511.556 2.836 50 40 KFGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1OC 97984052 SFWYKNMWGNMCIF-MKTFXCALSA-N 532.395 2.593 50 40 KFGB COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N/NC(N)=O)C(=O)Nc1ccc(Cl)cc1 102933497 IALRHWGGNCMHPW-VXOCHMLASA-N 505.318 2.637 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 408612226 XYMHVENYUUUOJU-IPBVOBEMSA-N 530.887 2.598 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409268118 PZUMQDQECWGNDA-HNAPYZNHSA-N 516.982 2.810 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 409270256 OGPSTOTULQVPKZ-WKULSOCRSA-N 518.526 2.598 50 40 KFGB COc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(C)n[nH]1 8985575 YIMNYHXESZVMKS-OMCISZLKSA-N 510.073 2.700 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 59646812 MOCCEECOVDESLE-AJCQQECZSA-N 595.634 2.614 50 40 KFGB O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408779505 XLHIZRDLUUDWBZ-QICHVEDASA-N 578.672 2.760 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1Cl 408783078 MVAGAXHKRFYCHL-WKIKZPBSSA-N 511.922 2.594 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408831676 RQMOQJCBGDDPIV-PMOPRMPASA-N 660.753 2.504 50 40 KFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1OC 408876337 KXZUYFDTRNBQLC-ZMOGYAJESA-N 556.435 2.956 50 40 KFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408906456 JLWYADNIPLEQCU-KZKMUKRCSA-N 522.352 2.729 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc([N+](=O)[O-])cc1 59490214 IPGBNNRYNJHXGZ-AFUMVMLFSA-N 514.491 2.851 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408679517 CPDBTESKWAHWFO-IFPKNTHLSA-N 600.260 2.511 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409173489 ITWRWONPVDROBR-MUKDWXQFSA-N 614.824 2.716 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 409184543 LSYCBWNWUIRSNV-UVHMKAGCSA-N 549.005 2.553 50 40 KFGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1)c1ccc(Cl)cc1 409382803 PABPXQYZHXICDX-MSOLQXFVSA-N 535.292 2.883 50 40 KFGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(N)s2)cc1 2149520 NBBHXDLJDBRNIM-UFFVCSGVSA-N 510.395 2.652 50 40 KFGB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3303911 WJYOHIQTDLYFBQ-UHFFFAOYSA-N 515.975 2.779 50 40 KFGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N/N=C/c1ccc(Br)cc1 11667585 DSZDPDBDPXSJKM-ZVHZXABRSA-N 507.410 2.504 50 40 KFGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 20060836 DDNQNIJDFVTBLR-VKELSTCCSA-N 500.621 2.819 50 40 KFGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)C1=O 408537514 VVEKUQMXRIAUJF-VMCRYMNPSA-N 589.561 2.588 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 408824775 AHHNDYQLUJTZGO-JVWAILMASA-N 553.597 2.844 50 40 KFGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100042188 GEMGVLTYLLOAQE-IPPBACCNSA-N 566.523 2.729 50 40 KFGB CCOC(=O)[C@@]1(C)C(C(=O)C(=O)NNC(=O)c2ccc(OC)cc2)=C(Nc2ccccc2)C(=O)N1c1ccccc1 100251429 LBNZPUZBWTYJRG-SSEXGKCCSA-N 556.575 2.760 50 40 KFGB CCc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408685578 LPYNNSPMARVRDH-OTQTYKSKSA-N 556.251 2.897 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1c(C)cccc1C 409165131 SYVLNPIAXXZWSI-JLHUVHHFSA-N 608.433 2.679 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 28213374 CXYGTNFLTGIAKN-WPWMEQJKSA-N 530.647 2.829 50 40 KFGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100715832 DUBCNCYBKCNSPB-JQVOGXOBSA-N 534.270 2.999 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 8691659 DFSICQVPFWZDFN-QCEGIAOWSA-N 543.208 2.589 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccccc1Cl 408684708 KIXAFVREXHXLNV-IWDIQUIJSA-N 536.604 2.744 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408687257 ONYTXTOZAIRPPE-YZEAIEHJSA-N 570.234 2.539 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=C[C@@H]1C(=O)N(c2ccccc2)N=C1C 408945501 KXKWCHOAESWIQW-RDPSFJRHSA-N 548.625 2.562 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OC 1529547780 OXHOBHBOYUTZFL-XGFHMTJNSA-N 512.588 2.589 50 40 KFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1I 101076837 GLHJYIBUQYEWMY-CQSZACIVSA-N 514.117 2.620 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409318734 XRQKKVZNXIEIOK-RBUKOAKNSA-N 522.421 2.941 50 40 KFGB COc1cc(/C=C/C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 3259908 RWNSLTXEXIAWKU-FMIVXFBMSA-N 562.604 2.566 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c(OC)c1 408924050 NBARBXBEMJEYLA-NJHMZOPJSA-N 544.948 2.797 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409378389 PAFCOMONQMBSAN-RPBOFIJWSA-N 621.599 2.595 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C(C#N)C=CN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 33654502 WPJSCVOHMKPYEI-PDGJWGCVSA-N 515.438 2.530 50 40 KFGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NNC1=c2cc(Br)ccc2=NC1=O 59856642 TWYIASPINXVSTP-UHFFFAOYSA-N 582.263 2.540 50 40 KFGB CN(C)N(C)C(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 114875916 VQPFSIRUEPQQPP-NEEKEDPPSA-N 546.716 2.719 50 40 KFGB in-vitro CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408923307 BIKHXYDHGVJGJZ-BHGWPJFGSA-N 515.419 2.813 50 40 KFGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccncc2)cc1 6924820 OXBIHDZYNHWDJC-SANMLTNESA-N 553.575 2.850 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 100351756 YZIPRIXGOLBLHM-FSGOGVSDSA-N 566.680 2.982 50 40 KFGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 102995388 YEUZRVWXAKMQQG-MRXNPFEDSA-N 538.401 2.912 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408860070 ROQQZYLRBUAYMY-OGLMXYFKSA-N 538.626 2.944 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408866769 IVKPNTAVTDYPCL-WYMPLXKRSA-N 519.377 2.904 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC 98001560 SHKJDQYTNYWVNH-CCVNUDIWSA-N 536.497 2.720 50 40 KFGB CC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 102239495 GSSHMADOQRCHEI-LHXHDVJPSA-N 512.198 2.994 50 40 KFGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccccc21 409109892 NKXXLGIXOOCEBC-UHFFFAOYSA-N 560.373 2.959 50 40 KFGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1 409151988 IOAGUJNTLWFFIT-HNAPYZNHSA-N 577.432 2.619 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1 409173536 JOGIFIWDPUVIJC-HZZGJGATSA-N 552.369 2.682 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382795 OZGNQAREEKYJKH-DQEYMECFSA-N 575.574 2.949 50 40 KFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 28213002 GERQXQSJFPNLCX-KKMLCIJBSA-N 508.600 2.859 50 40 KFGB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408665994 RXPSWSBNTPEZEA-GOSISDBHSA-N 515.950 2.654 50 40 KFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408685217 QHOLWSBWNUWEDQ-LFYJYPCRSA-N 562.642 2.908 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1 408685432 QQVXMIGVGMUOQC-WITHRNOMSA-N 542.224 2.563 50 40 KFGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3I)s2)c1O 408732312 UELQIBPSTZZHDO-UFFVCSGVSA-N 537.339 2.802 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(Br)cc2)cc1 408862781 MCHYVAPRHYWLKO-MZJWZYIUSA-N 559.442 2.967 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OC)c1 408944080 IGHMNKMKWNUWRS-QHCPKHFHSA-N 512.588 2.589 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)N1CCOCC1 409161880 BPPICDDUCPODAZ-OKCVXOCRSA-N 589.487 2.975 50 40 KFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 409151867 IHXUCDGFZDBBIH-XODNFHPESA-N 553.369 2.962 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)cc1C 409258824 VOYFYNZJVQDOSV-AMVVHIIESA-N 532.553 2.825 50 40 KFGB COc1cc(NS(=O)(=O)c2cc(C(=O)NNC(=S)NC3CCCCC3)ccc2OC)cc(OC)c1 13147935 UUOSYPQUWLHENN-UHFFFAOYSA-N 522.649 2.955 50 40 KFGB CS(=O)(=O)SC[C@H](N)C(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 72130155 VKFXFTOISDVWKL-IBGZPJMESA-N 528.564 2.927 50 40 KFGB in-vitro CCOc1c(I)cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 100957303 SEQHGPDILLBEFX-LSHDLFTRSA-N 524.294 2.641 50 40 KFGB O=C(NN=C1CCCCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105437840 PTXYGOKZQGNOOD-DEOSSOPVSA-N 532.688 2.967 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OCC)c1 408612678 WTTTZFSXQCRTBX-DHRITJCHSA-N 505.369 2.842 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1 408683451 IBVKUSPDIBIFJW-MQYQWHSLSA-N 536.604 2.744 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(OC)c1 408921670 CBUAZFRAOPTMIG-KGZBIMPRSA-N 575.372 2.516 50 40 KFGB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(C(=O)N/N=C\c4ccc(Cl)cc4)[C@H]23)cc1OC 100326835 CAPXRKXPGPCLOF-RETNNUPOSA-N 550.999 2.672 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408771531 HCHIQWRHOACLES-RDRPBHBLSA-N 561.620 2.617 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)CC1 408882337 MOBRSMKACQGCOD-ACXHZZMFSA-N 601.447 2.649 50 40 KFGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409027170 BFBONSCPOKVQGP-YBFXNURJSA-N 503.387 2.929 50 40 KFGB CCCN1C(=O)/C(=N\NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCC)c3ccccc32)c2ccccc21 100180756 QFHLFLVMCGNPIC-LQAAPGBJSA-N 502.575 2.711 50 40 KFGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2)ccc1Br 409270454 PSLSHAIAIVHDSX-MTYDYXEWSA-N 517.380 2.520 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)c1 409370568 AEYXQGJTIVUJQT-MYYYXRDXSA-N 512.544 2.953 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 100295773 DKLGMIWKTLRABW-MNBJERMJSA-N 548.596 2.929 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1cc2c(cc1Br)OCO2 105622406 PTQYCIJZEUHGKH-QPSGOUHRSA-N 578.317 2.791 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408687253 ONYTXTOZAIRPPE-IXFQNSDBSA-N 570.234 2.539 50 40 KFGB CCOC(=O)COc1ccccc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408953637 XPFCLDUXIJNINE-RUZDIDTESA-N 554.625 2.514 50 40 KFGB O=C(O)COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c1 409001583 JFPJJLHCQOLXLS-WGLQLPMYSA-N 607.426 2.795 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(F)cc2)cc1OC 409117852 OYRAEXBNMXTCMO-JFLMPSFJSA-N 529.546 2.960 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1 1529547940 RXBWAQVKZAKWJG-JYJOXHSLSA-N 605.069 2.785 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217490213 YWMSBTBFCOTHTB-RSUMUVBCSA-N 592.598 2.729 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OC 408948170 OXHOBHBOYUTZFL-JOCHJYFZSA-N 512.588 2.589 50 40 KFGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 9003972 JPTICZPHYMEFFI-YTBHAWNYSA-N 512.975 2.967 50 40 KFGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 12419168 ROLVITUEQPGNEQ-WKULSOCRSA-N 521.526 2.820 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)ccc1OCc1ccc(C(=O)OC)o1 97966687 LXFDOJJBIOISBH-AMVVHIIESA-N 602.564 2.933 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 100087348 ISICAHMYBIPOAS-DXJNIWACSA-N 593.706 2.932 50 40 KFGB COc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)ccc1OS(=O)(=O)c1ccc(F)cc1 408735443 QBNNURFOZUCPCN-AFUMVMLFSA-N 542.574 2.820 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCCCC2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408877991 ZPJXPPPDYBNIGE-ZMFRSBBQSA-N 508.362 2.694 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 408944734 JNWOLFIRDFYIAF-HXUWFJFHSA-N 547.977 2.839 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1C 408677003 DQEJSTBUTJVMKF-PSWKNJSVSA-N 542.224 2.563 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(C(F)(F)F)c1 408684581 PEEWDOAIWKXVEC-DJWYYIDESA-N 582.167 2.965 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408686975 OATWIBQWFCRCTF-JNYDFHNISA-N 570.234 2.539 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1O 408755670 SAZNACPFCYRNMS-QPHXDFOYSA-N 545.399 2.767 50 40 KFGB O=C(N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408847126 PJOSAQMTRNKVGN-LKKXKRCMSA-N 578.772 2.862 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCC(=O)O 408965516 HZBBDMUDPDCOCQ-NUGSKGIGSA-N 511.247 2.928 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409318735 XRQKKVZNXIEIOK-RTBURBONSA-N 522.421 2.941 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409375625 NEAYCCBMJFMIGL-PKTZIBPZSA-N 534.521 2.609 50 40 KFGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)SC1=S)NNC(=O)c1ccc(F)cc1 150453402 VPZBSCXUGAAGSV-QURGRASLSA-N 706.800 2.680 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(OC)c1 408924995 RGSOYIQRILVPSF-UFIDKHRZSA-N 562.535 2.983 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)c(OC)c1 408956554 REPNQVNLHUMZPX-JCJXWKAISA-N 724.505 2.970 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409153730 MJYHPGAAKKOOFW-HWQYYBGISA-N 536.507 2.867 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C 28213210 KOJYTMVCEBTFKH-MZJWZYIUSA-N 512.588 2.508 50 40 KFGB COC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1 150399047 VBJJHDDRAZSKSJ-GSDHBNRESA-N 730.862 2.539 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccccc1)NCc1ccco1 408607444 CZOJWTHFAPMUEP-UVHMKAGCSA-N 513.348 2.504 50 40 KFGB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 408637670 MSHMPQCZQPHNHR-UHFFFAOYSA-N 520.011 2.878 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1 408778945 ZYDQOTWCTUTYHA-UUYOSTAYSA-N 505.350 2.609 50 40 KFGB Cc1oc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1Br 408838645 YXJBRHPEZIFUQT-BHSKHCGUSA-N 595.497 2.565 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC 409260395 PTQSEIWSGQJJGD-OCSSWDANSA-N 518.570 2.839 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409161112 WOKCQLXRCJQGRC-YSURURNPSA-N 570.771 2.699 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1C 409184749 MTFDKXOETKOSSB-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 8860907 NILZPRWZVNWSBY-TZMCWYRMSA-N 506.154 2.514 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(F)cc4s3)cc2)CC1 9381831 GAQZHSHFCJETHE-UHFFFAOYSA-N 507.569 2.655 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 16691613 LSKMYHPKNGLVOY-MFKUBSTISA-N 505.593 2.722 50 40 KFGB COc1cc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1I 408747130 JKJRKXPMWULAGB-IKDHMPEHSA-N 556.769 2.733 50 40 KFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408969380 MXBVHFDHIWSKRK-FOKLQQMPSA-N 512.357 2.868 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409167495 IQRNVRNZUCFTEU-MUKDWXQFSA-N 659.275 2.825 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 409186237 ZGVJQDQQSOBMEL-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCC(=O)O 409251952 RINBJEFXHCNNPP-ODCIPOBUSA-N 544.371 2.803 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2OCC)cc1 409266884 YWAPCGAVSYSOMR-RWPZCVJISA-N 508.531 2.861 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409380050 GLBJRLQUDQWTDD-IZZNHLLZSA-N 687.010 2.505 50 40 KFGB C#CCOc1cccc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 1529549145 SSIQYHOBIMLKFX-XPQMWKTPSA-N 506.584 2.584 50 40 KFGB CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)NN 5460847 MQIUTMWQFMSIHY-BJKOFHAPSA-N 550.616 2.817 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(OC)c1 408942043 FHJOOGCLUBXBAQ-UELCYLQASA-N 591.415 2.892 50 40 KFGB C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(OCC)c1O 408998769 OFJXFSURUVEVJG-XIQSQHMBSA-N 604.660 2.690 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 409154832 KPMCWKVRRZKTFC-KCSSXMTESA-N 578.622 2.938 50 40 KFGB COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-] 3297198 NWNQXRSADBVUGF-UHFFFAOYSA-N 505.512 2.857 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 39986585 LDZNJOCLDUTMNV-QRQIAZFYSA-N 522.627 2.931 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3OC)cc2)cc1 58881878 DOGQEIMZKXGUQT-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408923373 WSWMZWWQYCLKGW-JVWAILMASA-N 525.583 2.901 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc2c1OCCO2 409130319 LHVRHEFYZZOQBT-JFLMPSFJSA-N 527.530 2.714 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)cc1F 409153512 IGJUTGWFGIKCBR-LUOAPIJWSA-N 547.337 2.974 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 409251461 QHVCTFNGQIMQJO-STBIYBPSSA-N 504.543 2.878 50 40 KFGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(OCC)c(OC)c3)nnn2-c2nonc2N)cc1 9424931 SZMUDKHTFZLYCB-VULFUBBASA-N 506.523 2.860 50 40 KFGB CCOC(=O)c1ccc(N2C(=O)/C(=C/NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 38162216 BGLMKQDFXAHMCZ-INJUALFYSA-N 513.506 2.852 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100284669 OMZWXSQKOSZSIM-MIXAMLLLSA-N 569.636 2.639 50 40 KFGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(C[C@H](O)CN3C[C@H](C)C[C@@H](C)C3)c3ccccc23)cc1 226625776 JTGSQMGGBLQOGS-GAFLIZFZSA-N 539.702 2.717 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408688260 QIGPRBFTHXNNGT-RUUYWKFQSA-N 556.251 2.897 50 40 KFGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408768119 TVBPKZZMUVNJQE-FMCGGJTJSA-N 519.377 2.918 50 40 KFGB C[C@H](OCC(=O)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993672 IBXPYKCJIAORAD-IBGZPJMESA-N 696.578 2.635 50 40 KFGB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102655527 FTMTXESUGBVYCA-SDENIJOCSA-N 500.187 2.800 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408531942 HPMNXGMSHHNFLY-YTIGJDNKSA-N 538.314 2.909 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408688755 XJEDXNVBSGKGND-DQOWRFHUSA-N 582.167 2.965 50 40 KFGB COc1cc(C)c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1C(C)C 408997200 CMJOJSPSICAIEB-JFPSQXEMSA-N 556.660 2.896 50 40 KFGB N#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1Br 409004015 WCXQFAZCWZHKFV-BOZLSQSESA-N 638.475 2.522 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc(Br)c(O)c(Br)c1 17413991 QNJLPGAFPHKGCU-PKIICXIDSA-N 540.193 2.697 50 40 KFGB O=C(N/N=C\c1cc(I)cc(I)c1O)[C@H]1COc2ccccc2O1 100901498 PIHSJBQINWBMJP-TZFWNBKVSA-N 550.090 2.892 50 40 KFGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 256028158 WOFYQUJNULCFLN-UZCFLEFWSA-N 672.006 2.542 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408679004 BZMSZTMTRRSLDD-VPZWPZHPSA-N 556.251 2.953 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1 408689361 YQIZXVRNDHGMBF-IHXMYUSMSA-N 593.066 2.709 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccccc1Cl 408691233 YYFABAKTPZGFSN-TXFWVUOCSA-N 543.963 2.536 50 40 KFGB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N/N=C/c1ccccc1OC(=O)/C=C1/SC(=O)NC1=O 102886839 JZZZEKOEQVCNQE-HRNGPSPFSA-N 568.571 2.624 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 408947570 NZAPAVUUKPGEDU-FQEVSTJZSA-N 592.428 2.948 50 40 KFGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1OC 2337498 DXYTZZNCGDYFKD-CSKARUKUSA-N 511.341 2.657 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(Br)c1O 2338028 BZPNZSQCUGOYMW-AUEPDCJTSA-N 513.312 2.530 50 40 KFGB CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)c(OC)c2)C=3C#N)cc1OC 98044621 ZSIJDHWHOPUQMX-CYOCHTPRSA-N 530.606 2.676 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)NCc1ccco1 408613355 ZGRWNGYPZBKKNE-KBKYJPHKSA-N 517.311 2.965 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C 408682340 GBZBDZUDWVSSMV-WCVJEAGWSA-N 530.213 2.707 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408843738 TZPHGCVTKOLXIE-CVKSISIWSA-N 555.569 2.916 50 40 KFGB CCOc1cc(/C=N/NC(=O)COc2cc(Br)c(/C=N/O)cc2OC)ccc1OCC(=O)OC 101602503 ZCQFFNDYLCHWBL-JTZQCBLNSA-N 538.351 2.745 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408682028 FWOTXRCLVLIMBK-VTAJJLHNSA-N 556.251 2.953 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408682825 HBHWDSZCSIOADF-YZEAIEHJSA-N 600.260 2.513 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408683810 IXCBTZFGMSHBCV-ZLCFEWDTSA-N 572.250 2.735 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408688124 PZBFHFQTYGRPAC-KPIIRZJKSA-N 525.385 2.591 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc2c(cc1Cl)OCO2 408947535 NWYIFPHZESJOSX-QFIPXVFZSA-N 530.990 2.954 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409153136 KXQQPMCGIJTGRM-UVHMKAGCSA-N 504.971 2.586 50 40 KFGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 409263391 MKUPPDWDKQMLEL-HIDRHVPLSA-N 531.407 2.829 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382717 OCCWPWDODSVCHJ-GOTSBHOMSA-N 561.547 2.578 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)c(I)c1 1529546032 CKZBMEHXFPGGFV-RCKHJMGGSA-N 652.467 2.640 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(=O)c1C#N 15018646 WAWHISLIZSEONT-QPJQQBGISA-N 512.158 2.556 50 40 KFGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 59443729 GJDXYJBFTUYFJR-WPWMEQJKSA-N 524.599 2.743 50 40 KFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H]1CCCO1 97947316 BFTWTXIBDRVMQK-YHHBSCGTSA-N 547.637 2.762 50 40 KFGB O=C(O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc1N1CCOCC1 102994411 QBUWWUNLFBZXMM-HRTQJFGHSA-N 528.197 2.504 50 40 KFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)cc(I)c1O 105503789 CMNKBABZPHYLCE-UFWORHAWSA-N 527.120 2.563 50 40 KFGB CCOc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025287 SSDUVNNCISPRCL-UHFFFAOYSA-N 538.582 2.770 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408685008 KVROAUXTXFHCRC-DJQNJWNESA-N 542.224 2.645 50 40 KFGB CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c2ccccc2c1=O 2634530 NGXXNRJFKNBHLA-UHFFFAOYSA-N 519.583 2.909 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccc(Cl)cc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 150387164 YUPDSCFYOHAMPZ-XRWRHWKGSA-N 680.110 2.899 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(Cl)c1 408686775 SVANKUZYVYRALW-BXLNKUBBSA-N 548.615 2.600 50 40 KFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2)cc1 409157345 IRVGHYKCZATHFL-OCSSWDANSA-N 534.569 2.539 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 408828439 MPTADHGGSYNQGB-JVWAILMASA-N 540.598 2.638 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408831907 PTOGLPLVBGEXRY-TWKHWXDSSA-N 580.663 2.669 50 40 KFGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 408837388 DQQNYPWOSHCKQD-TWKHWXDSSA-N 575.647 2.991 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 408860948 JEXHHPVBMHLKED-SCWWFSKWSA-N 574.837 2.878 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409000842 YYLNQQNZXWKJJQ-YBDGCZDYSA-N 683.718 2.883 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OC(C)=O 409380051 GLBJRLQUDQWTDD-UIOOFZCWSA-N 687.010 2.505 50 40 KFGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 97960479 JIJKLQQMEJRWRH-YWOLVHTKSA-N 540.532 2.616 50 40 KFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)cc1 408803291 NHWGPIBHKGZZLP-OCSSWDANSA-N 577.619 2.777 50 40 KFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 408879590 BWKUIERMCOJJIX-FRDWBBKPSA-N 552.653 2.738 50 40 KFGB COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(I)c1OCC(=O)O 408904053 CXRRFCHZYOJCNT-IFRROFPPSA-N 596.115 2.837 50 40 KFGB CCOC(=O)C1=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OCC)cc1 988712 VFJACBJTPDSEBO-UAPYWLNTSA-N 517.607 2.698 50 40 KFGB COc1cc(/C=C/C(=O)NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 97980631 KGEWLQFHGLCCSE-MDZDMXLPSA-N 623.713 2.773 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(=O)c1C#N 98087131 JILHDMQWDHZFGY-IPPBACCNSA-N 501.543 2.651 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)O 103522567 BGYZZUPIXBTHQV-HBNMJFDTSA-N 568.664 2.640 50 40 KFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408675554 BJCNTRSXBWXYIQ-DRWMCFHUSA-N 562.642 2.908 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)c(OC)c1 408957764 VSYPTCBBBIEGQH-GVYDMDKTSA-N 710.478 2.580 50 40 KFGB COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 44387605 LRXYHMMJJCTUMY-KZXQSYCZSA-N 511.575 2.855 50 40 KFGB biogenic CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NC(C)C)cc2OC)cc1 408606949 BGWUQXUXZIAQNG-BRJLIKDPSA-N 535.395 2.849 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 408611318 VVNRUTWPICORJC-RPPGKUMJSA-N 519.396 2.605 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)c(I)c2)c(OC)c1 408957772 VVRZQPOXKRJIOO-FNMFPPKFSA-N 647.426 2.922 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 1529546821 HTJSJISYNXHHDK-KNMNCLCNSA-N 592.428 2.948 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1[N+](=O)[O-] 408691047 XVZYDUQLEGABSD-GWABWREFSA-N 587.221 2.551 50 40 KFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC 408874730 FXIWYCVSHQBEQF-SRZZPIQSSA-N 514.354 2.519 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408880150 GCRJJZJOAJXHBP-OGLMXYFKSA-N 578.607 2.747 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c(OC)c1 408947193 AUMVFKJKKWUUSN-ALUCDORFSA-N 608.389 2.726 50 40 KFGB COc1ccccc1N1C(=O)C(=CNNC(=O)c2ccccc2O)C(=O)N(c2ccccc2OC)C1=S 1889114 HWKKDBGJEAFWNE-UHFFFAOYSA-N 518.551 2.893 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@@H](C)C(=O)O 70707718 NXGNMVVABGFORM-NRJJYZDVSA-N 568.664 2.638 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 101052216 UTWBUOTXVVOIPF-QQPMLANJSA-N 526.225 2.878 50 40 KFGB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 139086730 RHDZZGZMQAQOGP-LJQANCHMSA-N 503.511 2.845 50 40 KFGB Cc1ccc(C)c(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@H]2CCCO2)c1 22823289 DXEHZIMBYGWWAQ-MRXNPFEDSA-N 500.654 2.584 50 40 KFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OS(C)(=O)=O 97964269 YNJAWEPBIIXXAI-NTEUORMPSA-N 521.598 2.983 50 40 KFGB CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)c(OC)c2)C=3C#N)cc1OC 98044622 ZSIJDHWHOPUQMX-XEBCXGCGSA-N 530.606 2.676 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 408876252 OEZPOEXBLAFDMU-JVWAILMASA-N 553.597 2.844 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100344001 AUOKYTDSOULIRO-RDRPBHBLSA-N 610.649 2.744 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408691250 ZAFGEBWXGHWDHZ-DSTKKHMDSA-N 542.224 2.643 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2)c(OC)c1 408922423 FDICVMFMCXWUPB-OGCGYOKDSA-N 510.547 2.814 50 40 KFGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409383405 UQCSHYOXFQIIAP-MSXFZWOLSA-N 555.223 2.978 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(Cl)cc2)cc1 28212976 ITRHAGYNZWERQL-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 59646977 QPSPRBCHHZWNAE-LQKURTRISA-N 555.609 2.910 50 40 KFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408675555 BJCNTRSXBWXYIQ-HGDKLDNCSA-N 562.642 2.908 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408687250 ONYTXTOZAIRPPE-BQLFOJHWSA-N 570.234 2.539 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408691238 YZFXDHVXQJWJMY-JDLKNYJJSA-N 562.642 2.988 50 40 KFGB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4647442 KQGPTMBCCJEPIH-FQEVSTJZSA-N 500.602 2.765 50 40 KFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1 59886020 FTGIFEBWRMOOLY-DVQSINOTSA-N 542.614 2.678 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1Cl 408683973 NWHVDXREJLCGQW-YMKLRKBFSA-N 548.615 2.600 50 40 KFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408685218 QHOLWSBWNUWEDQ-MXMMTARNSA-N 562.642 2.908 50 40 KFGB COc1ccc2c(c1)CCC/C2=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21 102278528 YVGPOHWHCILLHY-RRAHZORUSA-N 513.562 2.664 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 103896892 UVIJEADGCNZQNL-ZCTHSVRISA-N 594.690 2.895 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409385044 GTNGUZNUHNFOAZ-IZZNHLLZSA-N 645.577 2.846 50 40 KFGB COc1ccc(NC(=S)NNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1OC 13146518 NIEMRGNQDVEINR-UHFFFAOYSA-N 508.622 2.565 50 40 KFGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)C2=O)c1 408537123 UOEJFBISZTWZOW-SQEMJAKJSA-N 513.510 2.871 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1OC 408864808 ZRCCLOVFUMAIGO-ZCTHSVRISA-N 610.689 2.595 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 408872019 JCOAKNLDXANGCK-NDZAJKAJSA-N 552.653 2.739 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409163197 NJSKFUYECASYAG-WAOIHUCGSA-N 547.406 2.529 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409248329 PTFUKSJFLCQGTA-ACAGNQJTSA-N 522.255 2.889 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409313388 PTERUINXMXKXIW-YADHBBJMSA-N 507.568 2.569 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 409385046 GTNGUZNUHNFOAZ-UIOOFZCWSA-N 645.577 2.846 50 40 KFGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 102998914 ZARVFQNRXDPHRD-LJQANCHMSA-N 527.002 2.951 50 40 KFGB CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nnc1-c1ccc(NC(C)=O)cc1 408636548 ACQRTVGBOMBMBQ-UHFFFAOYSA-N 502.984 2.895 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]21 408690635 WDULSPSWBKKFIE-ZHODDXKCSA-N 552.381 2.769 50 40 KFGB C[C@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(O)cc2O)s1)C(=O)N/N=C/c1ccc(O)cc1O 100953339 RERKKYYNUBCWHS-RNYRPDPNSA-N 562.655 2.622 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 102658273 MAIRMMVPQMFZTA-DCIMDAQESA-N 526.225 2.878 50 40 KFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2)c1 409152929 CDVCCVQWFUQYSU-OCSSWDANSA-N 534.569 2.539 50 40 KFGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58872878 XDSPPVPZAWDLTN-PBWVZGNXSA-N 514.380 2.843 50 40 KFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100477666 YSNYITRTXQOHJV-YZSQISJMSA-N 568.568 2.685 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1cccc(O)c1 408731879 QIUPQEGBEZDAJX-KEBDBYFISA-N 507.313 2.793 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409151357 AUYRFDIQDBPZCL-BHGWPJFGSA-N 505.369 2.758 50 40 KFGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NC3CC3)cc2OC)cc1 409264773 QARRPLZHOWOEEC-BRJLIKDPSA-N 533.379 2.603 50 40 KFGB COc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OS(=O)(=O)c1ccc(F)cc1 8426029 KMPIBWVOXKTNKZ-XODNFHPESA-N 565.543 2.734 50 40 KFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 28215038 UDYZEMBUJTXLJJ-IPISDEMTSA-N 530.647 2.828 50 40 KFGB C#CCOc1c(I)cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1OC 100924447 RZGSSCCCYCHNOD-FOKLQQMPSA-N 550.744 2.769 50 40 KFGB CN(CC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 102993754 JGHPUKBUQFBGNF-OAQYLSRUSA-N 574.084 2.692 50 40 KFGB COc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2OC)cc1 103084642 CPHLXTLGAAMESY-UHFFFAOYSA-N 541.944 2.993 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)=O)c(OCC)c1 408941624 DZDDWBBNRKFLSJ-VWLOTQADSA-N 554.625 2.896 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccco2)s1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 8875027 SOWBTXBDPCFVHB-OEAKJJBVSA-N 511.541 2.844 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)c1 408685015 KWQHCIHIQGIUMZ-XGUBFFRZSA-N 530.213 2.707 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409151887 HXCCXRPHNMZUOS-WMGMBDKSSA-N 614.824 2.716 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc(OC)c1OC 15133618 ITTOXOIICJMMQX-IPPBACCNSA-N 509.490 2.951 50 40 KFGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 16189206 RQPXSDQBHVXXFC-QFIPXVFZSA-N 503.584 2.977 50 40 KFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)c1 25397171 XFTVUQQITPSUIF-UHFFFAOYSA-N 508.556 2.698 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332937 NQQTYPVPNXLGIQ-XMLMMYKSSA-N 547.601 2.821 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 408607538 DNUUNZAXXXUMGC-OPEKNORGSA-N 517.380 2.821 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)Cc2ccccc2)cc1OC 408873693 UVZPICSQNPAYQW-HNSNBQBZSA-N 633.683 2.893 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)cc2O)c(OC)c1 408938687 AACYYORTVMWAJV-UAWDATBOSA-N 577.388 2.589 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccc(Br)cc1 409165350 WWPXJNLRBADABY-XODNFHPESA-N 553.369 2.962 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409254811 IUKLJGHHYYTGGZ-VULFUBBASA-N 519.396 2.848 50 40 KFGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018263 JVKZJBDZGOCTDM-ZHRRBRCNSA-N 566.527 2.694 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1cccc(Cl)c1Cl 408927518 WJWGEADYLXJHAS-WAOIHUCGSA-N 557.456 2.584 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(C)c1 408995478 AKWOZCXEQPXMBW-CFRMEGHHSA-N 523.371 2.970 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409313378 PTERUINXMXKXIW-FCHUYYIVSA-N 507.568 2.569 50 40 KFGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 9344445 OLDMOWXAUHDIOD-YSSBIZNGSA-N 505.600 2.992 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 16309464 BGFLYIAUPGKTMW-JVWAILMASA-N 525.583 2.901 50 40 KFGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OCC(=O)N(C)C)c(OCC)c3)CC2)cc1 97980907 LDTWBZWYTOARDE-MTDXEUNCSA-N 560.673 2.502 50 40 KFGB COc1ccc(NC(=O)CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)n(C)c3ccccc43)c3ccccc32)cc1 98008983 NEUWUAWHLLUJON-PMERELPUSA-N 533.544 2.905 50 40 KFGB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102655526 FTMTXESUGBVYCA-AOMSDIJCSA-N 500.187 2.800 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408688814 XRWDJZITYVMQHI-BZDUYGCESA-N 614.287 2.759 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 102979262 OAZVAFGQWCBJIP-SKZKPWFZSA-N 527.511 2.970 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1OC 105674650 NUORWWPJNBQHET-YZSQISJMSA-N 526.571 2.996 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408690198 UFWKJQPWQPVUPC-BQLFOJHWSA-N 556.251 2.953 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408841146 JEJBQGHHQOHMHT-STBIYBPSSA-N 568.652 2.953 50 40 KFGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(OC)cc1 409161462 XNPSBDVNORDPGM-DHRITJCHSA-N 505.369 2.842 50 40 KFGB O=C(CNC(=O)c1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2280007 LYOSFNPQMODVIH-FAJYDZGRSA-N 535.354 2.975 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379873 AMMODAXCFWJEMF-ZEQRLZLVSA-N 561.547 2.559 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217490293 YWMSBTBFCOTHTB-PXXQOYLOSA-N 592.598 2.729 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408684685 KGTCVRURJZQBJW-SICPNMTJSA-N 572.250 2.733 50 40 KFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)c1 409168468 MRGGZPFYZCVLJP-KBVAKVRCSA-N 564.595 2.548 50 40 KFGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 14360542 MYICDCYHQOOYRF-MRXNPFEDSA-N 502.540 2.794 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1 408781240 BHWLCFAZKFZGOT-MTDXEUNCSA-N 533.610 2.839 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 408864536 XAZLPUCDGNDCSX-CGKHLXHRSA-N 568.652 2.876 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409024993 PAMMQJGYVBGEOX-CVKSISIWSA-N 555.569 2.537 50 40 KFGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(=O)c1C#N 105984442 QKQYVQDNSVUZGP-HCGXMYGOSA-N 542.184 2.564 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 408682356 GEHNQGKNTGYSBI-IGQFXSRTSA-N 564.809 2.928 50 40 KFGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58872880 XDSPPVPZAWDLTN-ZKAWIHBPSA-N 514.380 2.843 50 40 KFGB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408665998 RXPSWSBNTPEZEA-SFHVURJKSA-N 515.950 2.654 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@H]12 408683920 JDVZAVXHKTVLEZ-XSLZUNGDSA-N 507.930 2.660 50 40 KFGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408869716 TWJDYTSESARODJ-NTFVMDSBSA-N 526.615 2.500 50 40 KFGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1cc(Cl)ccc1Cl 409026631 VATRYAYPWVIDTB-UHFFFAOYSA-N 520.192 2.995 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)N1CCCC1 409174772 OSPNJXJHANFMIV-OKCVXOCRSA-N 652.486 2.517 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 28213099 NVCXFYKKWRSSMS-JVWAILMASA-N 524.599 2.937 50 40 KFGB COc1ccc(/C=C\C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 100714253 KDVDRFWWIVKBAT-HLYHKKFDSA-N 512.522 2.621 50 40 KFGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 102994033 UUTPJTIKOFRINR-CYBMUJFWSA-N 519.468 2.599 50 40 KFGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408681435 JLIFZPASBHQAPU-KTWGYSIQSA-N 551.599 2.908 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 408825751 FYHSBTXMTHXTOP-CVKSISIWSA-N 537.038 2.656 50 40 KFGB C=CCn1c(C)c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c2ccccc21 409002488 NUAQHLQHWZSUFM-JIMJDLABSA-N 563.655 2.905 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409269882 APNSXTSYGDGHMQ-SPMLYMIKSA-N 516.982 2.810 50 40 KFGB Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2I)c(C)c1 2551587 OMHMNOGXTAGHFS-UHFFFAOYSA-N 524.384 2.962 50 40 KFGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816811 UASOBOMOPZDOPV-UHFFFAOYSA-N 508.556 2.680 50 40 KFGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 25783606 FSWCUIICBAODFN-UVHMKAGCSA-N 521.969 2.825 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408691239 YZFXDHVXQJWJMY-KDAYCLEISA-N 562.642 2.988 50 40 KFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409025912 AGTICFMCVADQPN-UDWIEESQSA-N 501.346 2.606 50 40 KFGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 100284210 IKHYFIQYOYPLGY-WCIBSUBMSA-N 554.122 2.879 50 40 KFGB COCCCNC(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1 408806934 CJGDQQVZJRPOKI-BJMVGYQFSA-N 512.085 2.661 50 40 KFGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409336814 UWOZDYBGPMUZOL-IAGOWNOFSA-N 516.403 2.626 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1Cl 20213182 FRQBWNQTFKGDFQ-DHRITJCHSA-N 526.011 2.985 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)c(O)c1 59639851 WXXHAFIIJXOSHB-OPEKNORGSA-N 504.385 2.639 50 40 KFGB O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1CCSS1 230290542 LDZDHSLEKGXHJA-RWYGWLOXSA-N 982.259 2.557 50 40 KFGB O=C(N/N=C\c1cc(I)cc(I)c1O)c1cc([N+](=O)[O-])ccc1O 408884765 ZPMXISSZUHOCAS-FMQZQXMHSA-N 553.050 2.979 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)O)c(OC)c1 408946393 MSLBKWCASGAWFQ-QHCPKHFHSA-N 682.493 2.648 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409140301 REMGZHFGRQQUPU-XHTVJODVSA-N 670.741 2.741 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409161623 WQGMIAPEWDDUQJ-TYIUYSMOSA-N 536.507 2.867 50 40 KFGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 102994031 UUTPJTIKOFRINR-ZDUSSCGKSA-N 519.468 2.599 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc(OC)c1OC 408535640 OIPCRCRSPAOBSV-IFBDVWKUSA-N 573.562 2.888 50 40 KFGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)c1 408537907 XZMKJUOXYQKZFV-QAFJJKRSSA-N 501.543 2.846 50 40 KFGB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)/C(C#N)=C(\C)N)ccc2OC)cc1Cl 97979077 RAFFXQIDNNHETG-WYMLVPIESA-N 523.951 2.649 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408675485 AWWQWQKUTGBJAI-YULKNUEKSA-N 542.224 2.563 50 40 KFGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 408679207 CJIDTLZDZIPTMT-UAOJZALGSA-N 542.386 2.993 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)OC)c(I)c1 408951973 UTLYPNZXOWMMFD-DEOSSOPVSA-N 666.494 2.728 50 40 KFGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)c2)cc1 409253305 BHOWNCXLGKCJOP-STBIYBPSSA-N 504.543 2.878 50 40 KFGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc12 9381910 DBBKUUVCHZZUBG-KBPBESRZSA-N 506.606 2.868 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408679599 CRYSFWUZIALEKO-LBCGREOCSA-N 556.251 2.899 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408785852 IOOWKQNOHAUDAN-DHRITJCHSA-N 526.527 2.986 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)NCCCOC)cc1OCC 408807197 GMIUWRBXXMRMEO-OQLLNIDSSA-N 516.332 2.691 50 40 KFGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1 409159227 QLAFZTPNRNXPDT-DHRITJCHSA-N 505.369 2.842 50 40 KFGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)c1 409257471 PGTHPXTZSCLMSO-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c2ccccc21 409344101 FIGJKDICRPRJOF-XTCLZLMSSA-N 574.400 2.983 50 40 KFGB C#CCOc1ccccc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549143 SQTFHNKLUAVFOA-XPQMWKTPSA-N 506.584 2.584 50 40 KFGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 2336445 JPTICZPHYMEFFI-ABPVARSCSA-N 512.975 2.967 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@@H]12 408683915 JDVZAVXHKTVLEZ-OZPQRRJYSA-N 507.930 2.660 50 40 KFGB COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)N1CCOCC1 409010289 BUHZSSMHAHSOHH-ROTLSHHCSA-N 585.249 2.987 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409175147 QQHVVUIXJSRJLV-FCUAXUHVSA-N 566.396 2.991 50 40 KFGB CCOC(=O)[C@@](O)(c1ccc(N[C@@](NC(=O)CCl)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F 8691557 INXKFUXJUKWNRA-JKSUJKDBSA-N 508.799 2.588 50 40 KFGB CCOC(=O)NC(=O)/C(C#N)=C/N1CCN(c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)c2Cl)CC1 12859983 OVRMFRZPKIXOOG-VAWYXSNFSA-N 560.320 2.755 50 40 KFGB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]12 408678589 BSFBLIZOJUMEMH-MMACOIQUSA-N 540.370 2.769 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409255572 IAWYFTVYYAHBCM-RFJLOWGHSA-N 516.982 2.810 50 40 KFGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409329807 GTTSMOPCQICNLV-SOYKGTTHSA-N 537.554 2.604 50 40 KFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Br)cc3)nc12 100904227 QRWHUSWDSARGPZ-GSPCDJLXSA-N 543.399 2.768 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408679597 CRYSFWUZIALEKO-FSMQDNEQSA-N 556.251 2.899 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409151251 HDDWCKJBQGWNHH-LGJNPRDNSA-N 578.407 2.999 50 40 KFGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 409163977 AOKNIDRUZUEVEQ-FDAWAROLSA-N 548.596 2.929 50 40 KFGB CCOC(=O)COc1ccccc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549393 XPFCLDUXIJNINE-STCIDUQHSA-N 554.625 2.514 50 40 KFGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 13134706 LXXRQIOTBYGYGF-YXMHAFABSA-N 519.664 2.815 50 40 KFGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1C(Cl)[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 100365848 RGVQYTFOJGDTOK-QZTJIDSGSA-N 510.934 2.758 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408689069 XZMSIRIBPFHMCL-WITHRNOMSA-N 542.224 2.563 50 40 KFGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)c1ccccc1 408768629 IABFSJJOPPCKPO-PSHHWHLWSA-N 533.404 2.848 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccc(I)cc1 409026492 QQRHOBNSDPAOQN-VXLYETTFSA-N 536.189 2.970 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 409352061 VXBCCFJTDSZKFX-AZPGRJICSA-N 522.583 2.704 50 40 KFGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408689744 SNTVCNKMLHOMJK-JYUSNPHGSA-N 532.218 2.959 50 40 KFGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409153640 MJQWPFFIAVYXSH-LQKURTRISA-N 636.443 2.581 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 100362759 KAKRCKCJRFHDHE-MNBJERMJSA-N 548.596 2.929 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408684582 PEEWDOAIWKXVEC-IHXMYUSMSA-N 582.167 2.965 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 409176275 ZSXRUWQESGFVAZ-FDAWAROLSA-N 548.596 2.929 50 40 KFGB COc1cc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 98044965 KXNGDQNIZWXBAE-BKMJKUGQSA-N 538.564 2.621 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100422354 GZFGSDUAWWHMMP-LQKURTRISA-N 529.018 2.588 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408678050 BHAHEOBGSBYEDI-ZRFJVYLMSA-N 570.234 2.537 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408686736 NRVSHJAAIIRUCV-OTQTYKSKSA-N 572.250 2.733 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408855275 BJYGDJBNWBSMLS-MOCCXMHUSA-N 610.689 2.723 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)c(OC)c1 408948675 DBNTXQHNBUUBFU-SNRYJIMGSA-N 649.451 2.650 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344394 LOKCULMMNNKQTF-CVKSISIWSA-N 527.555 2.756 50 40 KFGB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100874908 FTMTXESUGBVYCA-HGDQYTMVSA-N 500.187 2.800 50 40 KFGB COc1ccc(C(=O)NNC(=O)Nc2cc(NC(=O)NNC(=O)c3ccc(OC)c(OC)c3)c(C)nc2C)cc1OC 102924868 FIXYDQFILHRFFH-UHFFFAOYSA-N 581.586 2.666 50 40 KFGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584737 ZGZZJJWMCONUBN-KWKULGJVSA-N 570.693 2.690 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NC1CCCCC1 253576582 WABAXCCVVDFWOT-GDRVPNFISA-N 667.810 2.728 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(C)cc(C)c2)cc1OC 408860099 SCISMMRISCKENY-BIZUNTBRSA-N 624.716 2.904 50 40 KFGB COc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)c(Br)cc1OC(C)=O 408977737 JTTYXUXNQJIFNC-UFFVCSGVSA-N 505.354 2.601 50 40 KFGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)c1 12690192 HMMKYYPUGGRUSM-OAQYLSRUSA-N 523.615 2.648 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59857275 MWWGTKBPWNZSDN-CVKSISIWSA-N 556.553 2.744 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409140298 REMGZHFGRQQUPU-UPRVQLTISA-N 670.741 2.741 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 59646487 IDDQDWALZRBHCN-CVKSISIWSA-N 529.571 2.772 50 40 KFGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 408609056 JFJGHEUOJSQFRS-XIMCHAMWSA-N 517.380 2.520 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)cc1 408678169 BKJLZYAUDMHAKP-YULKNUEKSA-N 562.642 2.990 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408686881 NRVSHJAAIIRUCV-ZKOVTCOQSA-N 572.250 2.733 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770083 QONPKPAWIPWPLR-TZIWHRDSSA-N 504.568 2.521 50 40 KFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 102996380 FMUSCGKRYLOLKL-UHFFFAOYSA-N 581.072 2.621 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c1C#N 409223589 ITHBGLQXFICJSM-NHFJDJAPSA-N 500.353 2.825 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408689864 STSVZVLNRGBKAW-PYHGIMPFSA-N 530.213 2.707 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NC[C@@H]1CCCO1 408837508 HLXDVZSTOCSDJY-ICSRMJQJSA-N 595.634 2.614 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c(OC)c1 408923739 LJCHNUUKHCHVPW-JPTVRAALSA-N 505.531 2.517 50 40 KFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 409024843 IDNIPVYNXJZAAM-WPWMEQJKSA-N 514.648 2.993 50 40 KFGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409255216 ZLHVQKWWQBXSPG-QPEQYQDCSA-N 552.300 2.948 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529547821 PLXZJCCVTIOCQL-MSXNQDMMSA-N 598.678 2.912 50 40 KFGB O=C(CCCCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)N/N=C1\C(=O)Nc2ccc(Cl)cc21 9227339 JUFGZIBFYGQZOS-UHFFFAOYSA-N 501.330 2.799 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1OC 59443886 MTHJJSYLGWKWCJ-MFKUBSTISA-N 512.544 2.953 50 40 KFGB CCN(CC)S(=O)(=O)c1ccc(NNC(=O)c2ccc(Sc3nnc[nH]3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 102999113 FYDZHTHNXXBJMB-UHFFFAOYSA-N 536.552 2.560 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 103902090 VZGGOHOQDTUIMN-IIELIFRRSA-N 568.652 2.876 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@H]12 408690443 VJNWDWHDJPNBMF-XSLZUNGDSA-N 507.930 2.660 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 408829005 NKEGPZPCTZVYEN-VJKRCDFGSA-N 538.626 2.868 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 408859335 SNNSEHOQHZTKNG-RDRPBHBLSA-N 538.626 2.697 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(O)c(OC)cc2Br)c(OC)c1 408926107 XMPWJZJHKRMIPA-VCDGJKIVSA-N 577.388 2.502 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409252204 CRMNRJYIMZOIGA-RFJLOWGHSA-N 516.982 2.810 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)c(OC)c2)Cc2ccccc2)c1 409368209 PIQMYRLDIFPBNS-YSMPRRRNSA-N 513.572 2.759 50 40 KFGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 409382070 KBZMXVKWIHNXTP-YADHBBJMSA-N 549.492 2.508 50 40 KFGB COCCCNC(=O)/C(C#N)=C/c1cc(I)c(OC)c(I)c1 408806738 BPCSFTDOJLNLDE-IZZDOVSWSA-N 526.112 2.964 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408875775 HOOPNCAXCMINKR-YUFMIYQMSA-N 675.789 2.596 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1 408943046 GXRQULZPLPBPBI-FQEVSTJZSA-N 639.428 2.790 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Cl)cc1 409154266 KCWLLFFMZJZFBE-VFLNYLIXSA-N 538.944 2.861 50 40 KFGB O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O 2190355 ULVWATMIHDJFIP-UHFFFAOYSA-N 510.753 2.923 50 40 KFGB Cc1cc(C)n(C/C(=N\NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c2ccc(F)c(F)c2)n1 8826631 DRZFERZQDRPCJJ-TURZUDJPSA-N 518.488 2.825 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 408811714 OEPKXJCZNAWKSB-AQLQTECXSA-N 573.484 2.819 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(F)cc2)cc1OC 409123809 IDJGQLYOTGZDKT-PDFSKNBMSA-N 628.679 2.863 50 40 KFGB COc1ccc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)c([N+](=O)[O-])c1 19897961 MFKCESGVMUCPDZ-OPEKNORGSA-N 502.447 2.996 50 40 KFGB CN1CCN(Cc2c(C(=O)N/N=C/c3cc(Cl)ccc3OCc3c(F)cccc3Cl)nnn2-c2nonc2N)CC1 97966597 VDADDYIVCIGKKO-PNQUVVCRSA-N 603.446 2.769 50 40 KFGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)C2=O)c1 408532708 IUVHXZPDXPZIGA-BLTJSFDWSA-N 589.561 2.588 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408679538 CPWUQTFGKWTRRA-KDURUIRLSA-N 528.359 2.747 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 59652255 ONVVLWHVTYSINE-VULFUBBASA-N 544.517 2.859 50 40 KFGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)C1=O 408528507 BKVYPUFWWSNPBR-ZTAUZCEESA-N 513.510 2.871 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccc(F)cc2)cc1OC 409117220 XBALUSLSNXLYOO-VULFUBBASA-N 517.535 2.903 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377771 JTDNMJFNUSQGIU-XZOQPEGZSA-N 518.522 2.909 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409378446 PHELNOCZXSNEOG-DQEYMECFSA-N 575.574 2.949 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770117 PZMPXCHYZLZUIT-RBBKRZOGSA-N 534.594 2.530 50 40 KFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 20214711 RLOYQSHSFMQAMX-SCELWYEFSA-N 505.593 2.721 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(OC)c1 408924024 MVKBDFAFLYHEEG-NJHMZOPJSA-N 589.399 2.907 50 40 KFGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c(=O)c1C#N 409004259 OXRSKIIAKQKUMV-WPDGFUPNSA-N 571.340 2.744 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409378449 PHELNOCZXSNEOG-RPBOFIJWSA-N 575.574 2.949 50 40 KFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N1c3c(cc(OC)cc32)C(CN2CCN(C(=O)OCC)CC2)=CC1(C)C 1554503020 BAAXJHGNXPINRA-HKBQPEDESA-N 591.665 2.790 50 40 KFGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1254319 PDIMRQMJAAVBIV-AKEWKYQOSA-N 504.930 2.663 50 40 KFGB CC(=O)O[C@@H]1[C@@H](CI)O[C@H](Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 70670127 JYQSZRQLYLAOEK-SFFUCWETSA-N 526.707 2.674 50 40 KFGB biogenic COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 408819943 ZNGXFHPRAKEFAX-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 70706323 BGYZZUPIXBTHQV-NLCDEEIBSA-N 568.664 2.640 50 40 KFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 408604211 HSVGWSWRQMMZQN-XKJRVUDJSA-N 544.914 2.988 50 40 KFGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1OCC(=O)Nc1ccccc1C 408605482 KIHOCBYDHFHYEN-IPPBACCNSA-N 518.526 2.516 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408682468 GMVQQYMZJFRRAE-IGQFXSRTSA-N 564.809 2.928 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c(OC)c1 408840458 GJMBWFYTACLMQJ-RWPZCVJISA-N 558.588 2.777 50 40 KFGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409142036 APAGNFVTYREMRS-CVKSISIWSA-N 513.572 2.720 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(OC)c1 409176076 YBCBRVKYQFWTJC-KCSSXMTESA-N 578.622 2.938 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)ccc1O 1529544455 HGNYQHNJPSEIGX-ZPBGBCLFSA-N 502.980 2.931 50 40 KFGB CCOc1cc(/C=C/C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC(C)C 13524791 LOXIHXDLUDPYCA-GXDHUFHOSA-N 503.621 2.910 50 40 KFGB COc1ccc(/C=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 33957581 QNYYSEPUJTWEGC-KTNGLVDBSA-N 502.593 2.832 50 40 KFGB CCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(CC)c3ccc(Br)cc32)c2cc(Br)ccc21 100192412 AEUBDNIPAMUDRB-QFYPEMSYSA-N 604.259 2.676 50 40 KFGB CO[C@H](O)[C@]12O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3[C@@H]1Oc1nc(=O)ccn12 195501107 SDNSUZRVBFXLON-NSMXDQILSA-N 528.751 2.977 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408686354 MXZHVPDJMBZZQA-LFYJYPCRSA-N 518.191 2.705 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCC)c(OC)c1 408947456 AXTGAZXUNOGRQK-GMSRUEHWSA-N 510.547 2.814 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408611457 QZTAOUYIWGJYME-LSFURLLWSA-N 501.708 2.728 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2C(=O)O)Cc2ccccc2)c1 409368452 WNJBNHSBEBEDOV-YSMPRRRNSA-N 511.556 2.743 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409379828 ZWXBZYJTMCQIGR-IZZNHLLZSA-N 731.461 2.614 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408679282 GLIZFKGEBQTZQJ-DJQNJWNESA-N 542.224 2.563 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408683891 NRGHUIDUSPYSEG-PBFVBANWSA-N 540.370 2.603 50 40 KFGB CCOC(=O)COc1cccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 408946943 NAHBIDSWPJBUFJ-VWLOTQADSA-N 554.625 2.514 50 40 KFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1)S(=O)(=O)c1ccccc1 409185397 YIDBIUMGVRWUMS-AKLYFZKISA-N 550.637 2.950 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409378383 PAFCOMONQMBSAN-DQEYMECFSA-N 621.599 2.595 50 40 KFGB COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2200783 JODGKOWZHFTLFV-XDJHFCHBSA-N 506.994 2.653 50 40 KFGB CCN(CC)Cc1c(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 2348168 XTLLEMAWUGXGRQ-UVHMKAGCSA-N 507.530 2.556 50 40 KFGB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 38152791 WQFSFIJYGDPANA-OAHLLOKOSA-N 532.475 2.599 50 40 KFGB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408655955 DSMJFPGFXRFYEW-UHFFFAOYSA-N 504.337 2.765 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408729648 CWLHCARRNBYFPI-QPSGOUHRSA-N 533.866 2.682 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(N)=O 408857479 OMGFCZFFDCSRPC-XIMCHAMWSA-N 587.880 2.669 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2OC)cc1 409026183 IIHHJZFNALGWCK-WPWMEQJKSA-N 508.556 2.952 50 40 KFGB CCn1nc(C(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c2ccccc2c1=O 2621779 GOHFLDDXCAQWTD-UHFFFAOYSA-N 523.546 2.740 50 40 KFGB COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)ccc1OCC(N)=O 8780726 VIYQBMNEBOODPE-LGJNPRDNSA-N 503.397 2.684 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 59437039 ZPNBXMPWXYDPNN-JVWAILMASA-N 525.583 2.901 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)c(OC)c1 408784667 VZRUUCBRMFQINS-MSXFZWOLSA-N 565.402 2.627 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408862951 JMIZBCRDVXMCRY-QXNHYZTASA-N 691.788 2.927 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(OC)c1 408925523 UMUGMOMPJCAACW-KIQZMAHNSA-N 562.535 2.983 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(O)c(OC)cc2Br)c(OC)c1 408926106 XMPWJZJHKRMIPA-UAWDATBOSA-N 577.388 2.502 50 40 KFGB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)CC2)cc1 8744301 LECSRTCAOBGDTI-FGNRIPBJSA-N 528.613 2.540 50 40 KFGB C=CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C 96398844 PUNJTUWSPJWZNI-QJOMJCCJSA-N 523.659 2.924 50 40 KFGB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(C(=O)N/N=C\c6ccc(Cl)cc6)=NO[C@H]45)[C@H]3C2=O)cc1OC 100326832 CAPXRKXPGPCLOF-CSYKKIMCSA-N 550.999 2.672 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@@H]21 408683911 JDVZAVXHKTVLEZ-HOWVWPRWSA-N 507.930 2.660 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(Cl)c2)cc1 28212973 RJWKZNHYIFESGM-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332545 ZUUQQAGLBIJKRI-JFLMPSFJSA-N 588.595 2.983 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)CSc3nc4ccccc4[nH]3)C2=O)cc1OC 101005489 ICGPWQGKISHQOZ-ZDLGFXPLSA-N 543.652 2.721 50 40 KFGB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 102995348 UUBDACYMPDRWEE-MRXNPFEDSA-N 595.497 2.686 50 40 KFGB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NNC(=O)c1ccc(Br)cc1 103101044 BBXWLDIRZKRIMF-UHFFFAOYSA-N 538.420 2.632 50 40 KFGB COC(=O)[C@H](CSSC[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1 150399035 VBJJHDDRAZSKSJ-UODIDJSMSA-N 730.862 2.539 50 40 KFGB O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409339941 NAUMFYJCNTYPTQ-NDEPHWFRSA-N 595.747 2.519 50 40 KFGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccccc2)cc1 409378421 OYQGJEODUKMOQT-YADHBBJMSA-N 504.495 2.600 50 40 KFGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O)c1ccc(Cl)cc1 409381303 STCXMQSNISOCTI-UXHICEINSA-N 561.330 2.996 50 40 KFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476219 ASSUEBYPTALHEX-YZSQISJMSA-N 568.568 2.685 50 40 KFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 15229423 DBGHEHHIWOPSRQ-DHRITJCHSA-N 520.380 2.907 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100518927 DFSICQVPFWZDFN-ODJDQKDNSA-N 543.208 2.589 50 40 KFGB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100874905 FTMTXESUGBVYCA-QZCHLGNKSA-N 500.187 2.800 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)NNC(=O)c1ccccc1Cl 408682469 GMVQQYMZJFRRAE-KPIIRZJKSA-N 564.809 2.928 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409268119 PZUMQDQECWGNDA-RFJLOWGHSA-N 516.982 2.810 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Cl)OCO2 1529548788 NWYIFPHZESJOSX-FDFJPOSJSA-N 530.990 2.954 50 40 KFGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100715826 DUBCNCYBKCNSPB-KBCNZALWSA-N 534.270 2.999 50 40 KFGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)C2=O)c1 408532713 IUVHXZPDXPZIGA-XLBLDCAYSA-N 589.561 2.588 50 40 KFGB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408668091 UUGNQKJSHBKECS-SFHVURJKSA-N 560.401 2.763 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 408832468 UAGXDLOECQYFOR-JVWAILMASA-N 540.598 2.638 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c(OC)c1 408892712 JECQXRNGARTYEA-ZMOGYAJESA-N 505.984 2.768 50 40 KFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 409025818 XPDRUDZMEUXXNG-LPYMAVHISA-N 528.372 2.556 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1CN1CCc2ccccc21 2321389 XIHVIGFNNMUFHY-UVHMKAGCSA-N 540.500 2.727 50 40 KFGB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1 103115107 KOOPXUVGSWWMOC-UHFFFAOYSA-N 532.918 2.667 50 40 KFGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 409196383 UMIHVUZCYIZVAM-OUQXZNHLSA-N 503.397 2.759 50 40 KFGB CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 6089431 IFJBPERYMVGYFG-PMACEKPBSA-N 506.496 2.819 50 40 KFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1 20060416 OWBXEUIVYJZJBH-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Cl 408677587 AYWDVZFHZRHDRJ-OAQYLSRUSA-N 505.914 2.552 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c(OC)c1 408923722 KWEKTFOAYZZTEK-NBVBKBLUSA-N 720.258 2.940 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)cc1 409257835 QMZHQGNBEVLKOC-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB CCOC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 5707239 RRQJCRFCWPLMKD-SFTDATJTSA-N 593.680 2.722 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408606683 ACRLPVAHHDNXOA-RPPGKUMJSA-N 517.380 2.844 50 40 KFGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408766387 DDDFHLRKLPTGKK-UHFFFAOYSA-N 508.556 2.680 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 16249129 CZGYBJPMSVTNDH-WPWMEQJKSA-N 519.583 2.536 50 40 KFGB Cc1c(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 100501199 ZGEPHLPYXYPOPG-OJFNHCPVSA-N 509.198 2.767 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 408683869 NQXZWRFDZUAVMJ-CVQXOBEKSA-N 543.963 2.536 50 40 KFGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(=O)c1C#N 409002899 CEWQUWZXNIIKJA-RPPGKUMJSA-N 545.394 2.986 50 40 KFGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1 409004252 XBATYGKFFYGZKT-KYEFCJKTSA-N 530.379 2.602 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379871 AMMODAXCFWJEMF-DNQXCXABSA-N 561.547 2.559 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 102995360 MIPQKDCJLXZDKX-UHFFFAOYSA-N 595.497 2.640 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1C 408691087 YDQPXVIHNRHFHC-QLXJBWIVSA-N 556.251 2.952 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408778839 MHOZYYXHFTXMEE-MTDXEUNCSA-N 533.610 2.839 50 40 KFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OCC)c1 409162942 JTKJMQUJADWBMH-JFLMPSFJSA-N 577.432 2.573 50 40 KFGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409264990 MCUSZOKSSAVMBJ-IPWRAFNYSA-N 531.407 2.829 50 40 KFGB COc1ccc([C@@H]2C(C#N)=C(S)N([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(C)=C2C(C)=O)cc1 5956511 GBZRSUBGIAAIIR-MIZYVRTQSA-N 630.672 2.705 50 40 KFGB COc1ccc(/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC 38799112 QNYYSEPUJTWEGC-KOVJWTPHSA-N 502.593 2.832 50 40 KFGB CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 100768940 AZFUPQMDKQZSAV-ACAPTOGESA-N 515.625 2.840 50 40 KFGB biogenic Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)c1 102998701 WIFCGERAMBXZPX-UHFFFAOYSA-N 556.666 2.964 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1OC 408772536 MQOAJWZZLNQEKR-AQLQTECXSA-N 590.420 2.668 50 40 KFGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 408863143 PNRGEFUQHSGSJA-UVHMKAGCSA-N 533.006 2.853 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCC#N)c(OC)c1 408957804 WEFPLQNKNDAANH-IYFBGLROSA-N 677.452 2.931 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409152426 BBMCGMNGZWEXSG-HBPDMVEESA-N 561.433 2.837 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408676391 DALGOXPSGIPQLN-WITHRNOMSA-N 542.224 2.509 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)Cc2ccccc2)c1 409370789 BEAZDYKBAZDFQL-MYYYXRDXSA-N 512.544 2.953 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1Cl 408884902 VYNKINLLGZXJQD-QDTIIGTASA-N 525.949 2.902 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)cc1OCC(N)=O 1089052 AAHXUFCWGSOKEH-YCPBAFNGSA-N 520.771 2.984 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c1C#N 105563284 KIMFSOYQJVUKHI-LIMNOBDPSA-N 522.312 2.625 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1C 408691210 YVOGXLBXQURXBX-VPZWPZHPSA-N 556.251 2.953 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408691442 ZWMDBMYMTMHDIM-FPCVCCKLSA-N 530.213 2.653 50 40 KFGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1825087 HAZFMGGTHUUMOZ-VOTSOKGWSA-N 506.154 2.814 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1OC 163496338 UMVDSAJWPZYGKI-OXNKPUNYSA-N 638.743 2.762 50 40 KFGB Cc1ccc(C(=O)O)cc1NC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408672909 PDIIQYRMHJYLNQ-NDBYEHHHSA-N 502.159 2.554 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1C 408681014 IUBKIJNKTMLKDE-JYUSNPHGSA-N 542.224 2.563 50 40 KFGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OC(C)=O 409380048 GLBJRLQUDQWTDD-CLJLJLNGSA-N 687.010 2.505 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408675478 AWJFYGGJKVWYJL-DRWMCFHUSA-N 578.641 2.608 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl 408682993 MDWQJLDJOGZDFS-XRWATXQWSA-N 562.642 2.908 50 40 KFGB CCc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408685577 LPYNNSPMARVRDH-IFPKNTHLSA-N 556.251 2.897 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccc2c(c1)OCO2 408732293 TYPPHJLPCSZLRD-ZVBGSRNCSA-N 535.323 2.817 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1 408869031 QTBJFEFGIBJVRJ-MUXKCCDJSA-N 584.383 2.563 50 40 KFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409260539 RTNITCBAWZHVNV-XDWZDTHNSA-N 517.380 2.520 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OC)c2)cc1 409268432 TXPGPMBJHXOOCZ-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2OC)c1 8452655 CMMWGECAVBUITR-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c(OC)c1 58918365 FFKFSXPIVUWQFO-WGOQTCKBSA-N 511.556 2.821 50 40 KFGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408876311 OMMFVGNAUCBDNS-QDTIIGTASA-N 516.341 2.608 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409375267 IBMZXSIBBWHETL-DQEYMECFSA-N 635.626 2.985 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(I)o2)c(OC)c1 659914 KBJQIGYAJQDBRV-LIOPFRDXSA-N 582.351 2.613 50 40 KFGB COC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1 150399043 VBJJHDDRAZSKSJ-ZNZIZOMTSA-N 730.862 2.539 50 40 KFGB Cc1ccc(C(=O)NN/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1[N+](=O)[O-] 408532311 QGCNNDZILPEOEG-NTEUORMPSA-N 516.308 2.684 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(OC)c1 408783723 QMDGVZIOEOGZJY-RDRPBHBLSA-N 563.636 2.847 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409164442 INULHHAUROWDKG-YPXUMCKCSA-N 500.861 2.971 50 40 KFGB O=C(Cc1ccccc1)N/N=C(\C1=Nc2ccc([N+](=O)[O-])cc2N[C@@H]1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 5824221 OSMQTLIEDLTQMN-DZOIDRBWSA-N 504.459 2.768 50 40 KFGB COc1cccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 102659317 LKXBETPEAKBTSM-ICIWWDMQSA-N 543.208 2.588 50 40 KFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408602405 DJMBKORPQBONAG-UVHMKAGCSA-N 549.422 2.695 50 40 KFGB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1 408682073 GACCWMTUJUMCBM-UHFFFAOYSA-N 516.348 2.610 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1 408783760 QPYMSUPKNHWNLR-WGOQTCKBSA-N 511.556 2.839 50 40 KFGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)NC[C@H]1CCCO1 408735101 NWNANJAWHKOSSC-LLMHMKPQSA-N 524.096 2.804 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](C)C(=O)O 102012981 NXGNMVVABGFORM-VBMZLVJFSA-N 568.664 2.638 50 40 KFGB COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 103816864 LKXBETPEAKBTSM-CNVKIVRLSA-N 543.208 2.588 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408685908 MGDDOBDSOKSGGV-BKFPYEJXSA-N 556.251 2.952 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408691251 ZAFGEBWXGHWDHZ-ITJKTZAOSA-N 542.224 2.643 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 408871430 YEQVVTWIYPBCJB-PKOLSWDWSA-N 621.837 2.720 50 40 KFGB O=C(CSc1nc2ccccc2o1)N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 100057063 QPWZPIALBBRFKO-LHLOQNFPSA-N 530.404 2.839 50 40 KFGB COc1cccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 103816869 LKXBETPEAKBTSM-ZANIMMNQSA-N 543.208 2.588 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)N1CCOCC1 409165016 QYZXZHGJNQDDTJ-WKULSOCRSA-N 575.460 2.585 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408681605 FPPJTSWSLBPAON-PGZATIJXSA-N 542.224 2.643 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1 408826313 CZQJIYITBWOZOW-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)cc1OC 408940251 CAKONOCZXXRWDF-QHCPKHFHSA-N 512.588 2.589 50 40 KFGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408941414 DONYGBLKKKCVSK-DEOSSOPVSA-N 506.584 2.584 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409375269 IBMZXSIBBWHETL-LOSJGSFVSA-N 635.626 2.985 50 40 KFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 13102674 DUXWCRJZHHHDHK-UHFFFAOYSA-N 514.888 2.983 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 28213403 WGMFFLYTRDTUQC-BHGWPJFGSA-N 515.419 2.813 50 40 KFGB O=C(NNc1ccccc1)[C@H](CCCCNS(=O)(=O)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 104250626 PCDWHALDJAZSLG-VWLOTQADSA-N 544.699 2.908 50 40 KFGB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 138658063 JCFZSPKODCWLAM-QGZVFWFLSA-N 515.950 2.654 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)OC)c(Br)c1 408952092 VINVNHWXFHGRHF-DEOSSOPVSA-N 619.494 2.886 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC)c(I)c1 1529547990 UTLYPNZXOWMMFD-ZJAURVBUSA-N 666.494 2.728 50 40 KFGB CCOC(=O)[C@H]1CCC/C1=N/NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 15905796 YISMHKFMFQFXHM-RPYJSOBJSA-N 503.577 2.735 50 40 KFGB Cc1cc(Br)c2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)Nc3c(Br)cc(C)cc31)C(=O)N2 105632261 KYEBFTJVJFENCE-UHFFFAOYSA-N 590.232 2.854 50 40 KFGB COc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 163496618 FNVJLAHKTKFDNP-BZNCWZHBSA-N 640.715 2.732 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408679539 CPWUQTFGKWTRRA-OALUTQOASA-N 528.359 2.747 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCC(=O)N1CCOCC1 409197424 FCTIRZHMGJPZHT-ZMOGYAJESA-N 506.353 2.555 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408680680 DQCKPMHJQWMUCJ-MHORFTMASA-N 602.276 2.903 50 40 KFGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688489 WXQLFLJHQWBZQB-JIKSBOAXSA-N 557.990 2.925 50 40 KFGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 408830047 NADHQTJRVZQYJY-VUTHCHCSSA-N 550.637 2.654 50 40 KFGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)c1C 409252179 CHWSNSOVUYNWAC-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc(I)cc1 409026503 QWMVMQRROJSDAZ-VXLYETTFSA-N 536.189 2.970 50 40 KFGB O=C(NNC(=S)NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2655530 LBBZQEHVQPUSFD-UHFFFAOYSA-N 512.613 2.610 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(I)o2)c1C#N 100544436 XXXWPPAENKSGHY-CGOBSMCZSA-N 533.120 2.897 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 408609632 KSNATLQPVAVBMH-ZAHDWXQSSA-N 502.955 2.502 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70705975 NQQTYPVPNXLGIQ-PDACSQPJSA-N 547.601 2.821 50 40 KFGB CC(C)n1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc2c1=O 103019923 LJTVPMGNKOMCLO-UHFFFAOYSA-N 531.594 2.804 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 150485839 WHQORHIHGKNOGU-OGLMXYFKSA-N 628.620 2.702 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccccc1Cl 408683971 NWHVDXREJLCGQW-JUYHGQFASA-N 548.615 2.600 50 40 KFGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408772299 NUSIIGJSDDNOBG-MBTHVWNTSA-N 505.531 2.639 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 409261493 CLSCABQAIWIOMY-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1 1529548090 XIUBFYJDKJIHBY-CGGVTCGFSA-N 696.520 2.737 50 40 KFGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc(OC)c1OC 13602548 SKSMQJHSMVKIBT-WSODPZHKSA-N 517.538 2.912 50 40 KFGB C[C@H](c1ccccc1)n1c(N/N=C2/C(=O)N(CCBr)c3ccccc32)nc2c1c(=O)[nH]c(=O)n2C 97968824 MOCCNCJAFDNWIV-DXYQSCGMSA-N 536.390 2.590 50 40 KFGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 100067268 YISMHKFMFQFXHM-UINQJLALSA-N 503.577 2.735 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408675911 CFAGJOUYDJICFC-PSWKNJSVSA-N 542.224 2.509 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c1 408778284 SBTKMERMVUVTJB-MSXFZWOLSA-N 520.951 2.518 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(C(F)(F)F)cc2)c1CN1CCCc2ccccc21 33499843 JIZUDVXBWSPSHA-NVJOKUIPSA-N 511.468 2.968 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 59881549 HHCURHQHOASQET-FSJBWODESA-N 530.390 2.655 50 40 KFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 408846167 XRKOJLMJTWHZKT-VUTHCHCSSA-N 550.637 2.578 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409166507 FBCJBBIWZXGHFU-XODNFHPESA-N 567.412 2.996 50 40 KFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 409272998 URQBLKOWFKCLAF-STBIYBPSSA-N 504.543 2.878 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770105 CWBGRWACBZQWRW-PZJWPPBQSA-N 504.568 2.521 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408675188 AJIZRRJFACKAFR-BQLFOJHWSA-N 600.260 2.513 50 40 KFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 409174539 NEGNZZSIHUEOTN-OCSSWDANSA-N 534.569 2.539 50 40 KFGB NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 409265092 NPOODUNCXJMVRZ-SCDVKCJHSA-N 500.103 2.748 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1 1529547884 QTSVABRPKLIQSG-VRDMTTIJSA-N 591.042 2.697 50 40 KFGB O=C(COc1ccc(Cl)cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408740028 CNVHIKCCBGLLIE-XUMUCCENSA-N 509.769 2.647 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)cc1 408866576 GZDHCRBXUCGNPA-KCSSXMTESA-N 635.655 2.645 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409369556 CUSILELKTBQUSC-XZWHSSHBSA-N 761.649 2.697 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770085 QONPKPAWIPWPLR-PZJWPPBQSA-N 504.568 2.521 50 40 KFGB NC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100202745 JTVPDHZOFTWREE-NTFVMDSBSA-N 573.469 2.697 50 40 KFGB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccc(Br)cc1 138991534 IARNDUSVJKNCHS-KRWDZBQOSA-N 510.344 2.960 50 40 KFGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C)cc2)cc1 408868555 PGAFXKGKNAUINP-JFLMPSFJSA-N 526.640 2.927 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409170022 SMBAASMMGHTTOP-YCPBAFNGSA-N 501.259 2.682 50 40 KFGB COc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(Br)cc2)cc1 97971305 CBLCQNNGYAEBLD-UHFFFAOYSA-N 550.412 2.943 50 40 KFGB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N/N=C\c1ccc(OC(=O)/C=C2\SC(=O)NC2=O)cc1 101025531 XIBOQXNTMRZFFZ-CYICYEOYSA-N 568.571 2.624 50 40 KFGB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1)NNC(=O)c1ccccc1 103135910 AVKNIKBSRSLQAF-UHFFFAOYSA-N 610.693 2.707 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1O 408993642 WXJBBHHWIDGFBS-FVIBMMNASA-N 563.352 2.716 50 40 KFGB CC(=O)NNC(=S)N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O 408530874 JSKGXWQJHLYFHW-GZTJUZNOSA-N 560.474 2.899 50 40 KFGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc1 408538216 ZGXWIMYNJZFQAF-CGYKLWHHSA-N 501.543 2.846 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 8819493 BGYLFADAORONQV-UYRXBGFRSA-N 501.586 2.852 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc(OC)c1OC 408535300 NLYSPMLIXFFVEH-YJDFEONMSA-N 577.525 2.719 50 40 KFGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Cl 408677585 AYWDVZFHZRHDRJ-NRFANRHFSA-N 505.914 2.552 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2F)cc1 100139121 ZFRWTNMTDUMLTH-UXHLAJHPSA-N 568.627 2.717 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1 408686777 SVANKUZYVYRALW-IHXMYUSMSA-N 548.615 2.600 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)c(OC)c1 408951260 IGCQEGHYFNGPST-GVYDMDKTSA-N 619.027 2.629 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(Cl)c1O 408997352 FQCXEBDOHGKQSZ-UZODHMQISA-N 599.040 2.615 50 40 KFGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 681091 QRGKRATYISZMDC-XKJRVUDJSA-N 540.515 2.952 50 40 KFGB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 4775733 WCPKITGDIAWXQN-OOSNJVJTSA-N 503.445 2.840 50 40 KFGB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 408666268 XWISUEJLQHXRNL-UHFFFAOYSA-N 504.337 2.765 50 40 KFGB O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994994 AQRGXSPSWSBSBJ-HXUWFJFHSA-N 538.607 2.944 50 40 KFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 103864675 OLMAXTUMPXUIDJ-UUYOSTAYSA-N 524.315 2.561 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 103898208 FDNVEAUYJYVDFC-MOCCXMHUSA-N 610.689 2.723 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409245957 BNJZHFZMAYXFAX-MLPAPPSSSA-N 522.255 2.889 50 40 KFGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OC)c1 14920622 SHKQCBMCSNBGOJ-WKULSOCRSA-N 521.526 2.820 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1C 59884282 VUVILIDDCAHZHF-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1 408675748 CBASNRIPEGISLA-LHVLRZJLSA-N 548.615 2.600 50 40 KFGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3252601 FQQZIUMXYPIFJC-UHFFFAOYSA-N 510.410 2.854 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408686973 OATWIBQWFCRCTF-BQLFOJHWSA-N 570.234 2.539 50 40 KFGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 3115988 WNEUDHRQWSQZOH-UHFFFAOYSA-N 573.110 2.888 50 40 KFGB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 13778434 YYCDRKLTTPYSNX-UHFFFAOYSA-N 521.595 2.932 50 40 KFGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 28212936 GPIVWTCWDFIWRI-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB Nc1ccccc1C(=O)N/N=C/c1cc(I)cc(I)c1O 408728381 KRYPVKSAAZBCDB-CNHKJKLMSA-N 507.069 2.948 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCC)c(OC)c1 408950108 GJWZTKFFLCKROJ-NBUDSHOTSA-N 540.573 2.823 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)c1C 8384345 CINHDIPRDXVMTA-MZJWZYIUSA-N 512.588 2.508 50 40 KFGB O=C(NNC(=S)NCCCN1CCOCC1)c1cccc(COc2cccc(Br)c2)c1 13959892 ZDWHSXLMNBHWIM-UHFFFAOYSA-N 507.454 2.859 50 40 KFGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100553171 XLVPOSFANWBCSX-UWJCBMBLSA-N 578.051 2.953 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408957653 VIOPQQMSHDUTCO-GKFWUUHHSA-N 564.595 2.826 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1OCC(=O)O 408997739 HJZXKGXXVIFTHZ-OJENYKGSSA-N 574.388 2.632 50 40 KFGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2OC)cc1 409161877 ZTQUZICJGOEUMK-KKMKTNMSSA-N 606.373 2.685 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(OC)ccc(OC)c4s3)cc2)CC1 11758011 ULIBLANJANCFKO-UHFFFAOYSA-N 549.631 2.533 50 40 KFGB COc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1S(=O)(=O)NCc1ccccn1 102994970 LKTMTPWXHZPNNC-UHFFFAOYSA-N 601.688 2.506 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408855276 BJYGDJBNWBSMLS-PXFLCDOESA-N 610.689 2.723 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408865512 AXWQJVZLRGCIQH-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1)c1ccccc1 409028426 NVUJKWRJUWJODV-BWJYWGHISA-N 553.597 2.767 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409260445 QJJLNBMZBYZDPF-HZZGJGATSA-N 505.369 2.840 50 40 KFGB CC(C)(C)OC(=O)NNS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5370824 DMDLJAQBMRPJIC-FQEVSTJZSA-N 521.592 2.774 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1CN1CCOCC1 97966642 ISHBWSBOSKGGJW-OKCVXOCRSA-N 553.583 2.561 50 40 KFGB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408666087 NRLBDPHGOBLJME-UHFFFAOYSA-N 506.353 2.961 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccc(Br)cc1 408688509 XDFYOJNWOLGVPL-CVQXOBEKSA-N 588.414 2.646 50 40 KFGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Br)cc2)ccc1OC(C)=O 409379826 ZWXBZYJTMCQIGR-CLJLJLNGSA-N 731.461 2.614 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1O 1529549207 VHTOYKOZVWDDNC-KKBNRGAHSA-N 624.457 2.890 50 40 KFGB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4647446 KQGPTMBCCJEPIH-HXUWFJFHSA-N 500.602 2.765 50 40 KFGB CC(C)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 5179498 BRGPJZPHCVTNNI-FCHUYYIVSA-N 502.011 2.979 50 40 KFGB COc1c(I)cc(I)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 105503777 MRPWWONNTBMREN-AWQFTUOYSA-N 588.147 2.708 50 40 KFGB O=C(O)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408858910 RKGDIHKJYJTSEX-TVSCDJBNSA-N 544.811 2.869 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408875773 HOOPNCAXCMINKR-IQZHWODWSA-N 675.789 2.596 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409173490 ITWRWONPVDROBR-WMGMBDKSSA-N 614.824 2.716 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 409337244 SAUJUWKFGNUIIX-WPWMEQJKSA-N 524.599 2.743 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409375878 QJLYNCCOWGRUPM-URLMMPGGSA-N 751.698 2.836 50 40 KFGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1Br 2134691 HJUCNMNBCIJCLD-UHFFFAOYSA-N 503.103 2.725 50 40 KFGB CCN(CC)c1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)c(O)c1 102278187 MFHXOCQZMZRAIB-MBTHVWNTSA-N 530.593 2.501 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408691416 ZUANEARCDZCCRN-NBYRFIADSA-N 614.287 2.902 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(OC)c1 408925467 TZCZMMPVJFFZTD-BKAOESSVSA-N 505.531 2.815 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 20215150 KMXMFHSUOXRMOK-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 28213036 WQCBUCOYXJBCST-WGOQTCKBSA-N 500.621 2.739 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 59443988 UDDPAPUTMKNAPL-OVVQPSECSA-N 509.584 2.866 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408611659 RLQCTDFWMFHMSY-OPEKNORGSA-N 505.369 2.678 50 40 KFGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408772699 HEUKKUHCKKYLDB-SDGJFRJFSA-N 652.536 2.895 50 40 KFGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1OC 408998166 KLWAFVZIZSMMCR-QKZGRNMVSA-N 667.513 2.640 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCC(N)=O 409020013 YPZSTKPLLDSXSH-POGXFMHGSA-N 624.476 2.922 50 40 KFGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1cccc([N+](=O)[O-])c1O 409078146 HBWRYVYHPYPLJD-UBKPWBPPSA-N 553.050 2.979 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409159797 UVWBMRSWWSMRLH-YSURURNPSA-N 615.222 2.809 50 40 KFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)c1 409371472 GCVYBLBUFVQFCV-ZVBGSRNCSA-N 514.272 2.544 50 40 KFGB Cn1c(C(=O)NNC(=O)COCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2cc(Cl)ccc21 9849899 QMHOBGGRDNVXKG-UHFFFAOYSA-N 518.401 2.612 50 40 KFGB CCc1ccc(O[C@H]2O[C@@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 12659779 KRZYBMJVFWZNJJ-YHDCXSKOSA-N 520.316 2.583 50 40 KFGB biogenic Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)c(C)c1 14360217 FUVMSHWHPAQCHO-UHFFFAOYSA-N 518.573 2.944 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c1C#N 100544430 IBECRFLWSGXRAF-GEVRCRHISA-N 604.155 2.918 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409138021 YHEHWONZQBEMBH-LQKURTRISA-N 571.608 2.838 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1OC 409267161 SSFGOAYXDWSXMZ-STBIYBPSSA-N 504.543 2.530 50 40 KFGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c3ccccc32)c1C 2145924 KJQFKBXQMAAVLG-LNVSSQIESA-N 525.609 2.788 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(=O)c1C#N 15225763 JRGZKPIYNOTCBF-XODNFHPESA-N 519.514 2.821 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@@H]1c1cccc(Br)c1 409310846 WYQONQPVSNVEEY-ROUUACIJSA-N 504.362 2.829 50 40 KFGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334220 FDHQIARRRHFGIY-WDZFZDKYSA-N 506.081 2.903 50 40 KFGB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100034926 WAKFXYGLOHKLJO-HLQTZPMBSA-N 522.430 2.608 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1C 408691088 YDQPXVIHNRHFHC-VYMODODKSA-N 556.251 2.952 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)c(OC)c1 408862607 GXOUKCHFGNGLKU-LQKURTRISA-N 554.625 2.946 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc(C(=O)O)c1 409236014 DZWQLGCPDYKIIR-NSIKDUERSA-N 521.267 2.679 50 40 KFGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=S)Nc1ccc(Cl)c(Cl)c1 97961258 PJDAZFQHVCGYLA-UHFFFAOYSA-N 530.459 2.526 50 40 KFGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)s2)cc1 408970427 HQBDZSJSKPNCSZ-WGOQTCKBSA-N 535.607 3.559 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(OC)c1 409155092 BNEKPNUHRDPNKJ-OPEKNORGSA-N 505.369 2.678 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/[C@H]1C(=O)N(c2ccccc2)N=C1C 1529544656 KXKWCHOAESWIQW-XGAFMBKQSA-N 548.625 2.562 50 40 KFGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1 19850037 BHMQQEDTIXDVQH-HAHDFKILSA-N 513.845 2.949 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)cc1 28213060 MXJMNUPRVBYHAB-JVWAILMASA-N 524.599 2.937 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408675907 CFAGJOUYDJICFC-DJQNJWNESA-N 542.224 2.509 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100284618 TZIRGQMZRZITSE-NTFVMDSBSA-N 571.608 2.610 50 40 KFGB O=C(N/N=C/c1ccc(Br)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253572001 PQQIEBOGSISPAC-NWJFTTBMSA-N 591.509 2.663 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1 409270083 BYZWWQXRMILQDW-MZJWZYIUSA-N 504.971 2.748 50 40 KFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC 20209917 SPBQEOYUZQXBDN-SRZZPIQSSA-N 514.354 2.519 50 40 KFGB O=C(COCC(=O)N/N=C/c1cccc(I)c1)N/N=C/c1cccc(I)c1 97960687 YDUCSMCADFMLOP-VGENTYGXSA-N 590.159 2.513 50 40 KFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476155 RYCZLVPGCSOEGS-YZSQISJMSA-N 568.568 2.685 50 40 KFGB O=C(Cc1ccccc1)N/N=C(\C1=Nc2ccc([N+](=O)[O-])cc2N[C@H]1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 103014945 OSMQTLIEDLTQMN-HGUFJYQQSA-N 504.459 2.768 50 40 KFGB NC(=O)CC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 103041973 JNOWPCRZCUZKMI-XMMPIXPASA-N 567.577 2.964 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)c1 408691173 YNWJKHIYGNXCNN-LBCGREOCSA-N 556.251 2.953 50 40 KFGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 408866435 GRTWNCMKFQIRBS-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1OCC(=O)O 409003056 RATLUEGCJXQDJO-DEJQIQRUSA-N 635.415 2.864 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1 409169456 PTBLGLXJZAQRSW-MZJWZYIUSA-N 549.422 2.857 50 40 KFGB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 13147754 XOWYUNTUAQSZNB-UHFFFAOYSA-N 507.572 2.695 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1C 408691227 YXJGKDNUVWZYCS-PYHGIMPFSA-N 530.213 2.707 50 40 KFGB C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1OCC 408999450 CWMWOCSERHQFLZ-YPONVSDWSA-N 637.089 2.921 50 40 KFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 409026174 IAWXJBTYGHPLJW-YZSQISJMSA-N 500.621 2.557 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377481 IQXASZDEZIMTNN-DHIUTWEWSA-N 534.521 2.609 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(OC)c1 408921888 CBUAZFRAOPTMIG-ZBZSVZIESA-N 575.372 2.516 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1cccc(Cl)c1C 409155980 SHAOPGRCGXXVTC-MZJWZYIUSA-N 504.971 2.667 50 40 KFGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409270362 DRYHMYFMNBCQEK-HIDRHVPLSA-N 531.407 2.829 50 40 KFGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C)cc1 3390920 FRYMTZNJAQYSSS-CPNJWEJPSA-N 508.556 2.839 50 40 KFGB N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)NC[C@@H]1CCCO1 408734884 LBFLNRRNMHFOIY-YCGNWBHESA-N 524.096 2.804 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)=O)c(OCC)c1 408941617 DZDDWBBNRKFLSJ-RUZDIDTESA-N 554.625 2.896 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)=O)c(OCC)c2)c(OC)c1 408954246 NFOSGLHBSQIEGE-PUHWAULHSA-N 568.583 2.739 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1 100330442 WRPLHRAGADWOJE-MTDXEUNCSA-N 583.623 2.794 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(I)c1OC 100544075 FWHKJLIXFYQBHQ-VROXFSQNSA-N 561.340 2.831 50 40 KFGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)SC1=S)NNC(=O)c1cccc(Cl)c1 150453842 XXZBRHDEBYHCPT-FMQUCBEESA-N 711.656 2.928 50 40 KFGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1 408686437 NCRSCISDVSGNGM-NRFANRHFSA-N 550.365 2.661 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409153163 KZROCQZXHJBOME-BRJLIKDPSA-N 503.353 2.536 50 40 KFGB O=C(COc1ccc(Br)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12616927 GCVHLYYVBVTYTC-UHFFFAOYSA-N 510.410 2.854 50 40 KFGB COc1cc(/C=N\NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)/C=C1\SC(=O)NC1=O 101025532 HCQYIOFFCNYVIL-ATLJQNEDSA-N 598.597 2.632 50 40 KFGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)o1 102479838 UOIJNLCAMYXXTD-PGGKNCGUSA-N 554.574 2.809 50 40 KFGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408784020 QMUGSSHIJSLJSM-VYYCAZPPSA-N 511.922 2.675 50 40 KFGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408794650 AFEOOWNBZCGBOS-WGOQTCKBSA-N 556.622 2.692 50 40 KFGB COCCNC(=O)/C(C#N)=C/c1cc(I)c(OC)c(I)c1 408818186 XCOBISLDVZAWEW-BJMVGYQFSA-N 512.085 2.574 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(OC)c2)c(OC)c1 408952077 JUVXATFCGAXUDB-YIBCAPORSA-N 586.001 2.980 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529546221 DONYGBLKKKCVSK-SJUCLPJRSA-N 506.584 2.584 50 40 KFGB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc1)N(C)CC3)OCO2 70670122 YICIAVYJQQMWGA-RYIRVSIUSA-N 556.539 2.649 50 40 KFGB biogenic N#CC1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C(N)=O)[C@@H]1c1c(Cl)cccc1Cl 2224299 CGOCXDVHOBAEPV-UJPCXNRSSA-N 521.788 2.922 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409164148 DALSJKUIUQFZQS-HNAPYZNHSA-N 561.433 2.919 50 40 KFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1cccc(Cl)c1 409258914 WLQGDYRJKCGCHA-XODNFHPESA-N 508.918 2.853 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1OC 101005449 WKTAMTSUCYVITE-IUXPMGMMSA-N 519.517 2.865 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c(OC)c1 408923962 MHSOBWXCKLBVSV-ZLYQEWHFSA-N 519.558 2.907 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(I)o1 408948547 PJHOXLRXCXQKHS-LJQANCHMSA-N 568.393 2.769 50 40 KFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409165979 BUARZCLFZVVMQH-UVHMKAGCSA-N 504.971 2.586 50 40 KFGB CCCN1C(=O)/C(=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)c2ccccc21 409219542 RSLMBJIVZHIXCM-NHFJDJAPSA-N 500.353 2.827 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(C)=O 409375880 QJLYNCCOWGRUPM-WDYNHAJCSA-N 751.698 2.836 50 40 KFGB CCn1c(SCC(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 2322243 QWHQSPVAMPMOAG-WYMPLXKRSA-N 501.565 2.947 50 40 KFGB COc1cc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 8398906 ARBSLXZFFDJTKI-UHFFFAOYSA-N 604.657 2.691 50 40 KFGB biogenic,in-vitro COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 12371197 YADSVHQFXGLOTP-MZJWZYIUSA-N 506.471 2.711 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(OC)c1 408949372 QTSVABRPKLIQSG-HSZRJFAPSA-N 591.042 2.697 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)CC1 11758012 DJIUJHRGWHBUID-UHFFFAOYSA-N 525.559 2.794 50 40 KFGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Br 100852248 JABPELBMRPWOSA-QRVIBDJDSA-N 574.295 2.677 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)cc1O 1529544750 NIXUGTGKJKFUQB-YTIKMCPMSA-N 563.430 2.745 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408681589 FOZCCSZBUAMIFT-QHQVIKIASA-N 592.668 2.998 50 40 KFGB CCOc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)ccc1O 408780024 QFCZGLSRYZUJGB-RDRPBHBLSA-N 563.636 2.934 50 40 KFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409383293 TYPLNVXRIHWVSX-WYMPLXKRSA-N 510.772 2.869 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c1COc1ccc(F)cc1 97967037 UKRNNFHCTZDSFG-HCBMXOAHSA-N 690.171 2.629 50 40 KFGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccccc32)c1C 100751136 KJQFKBXQMAAVLG-YXGJMMTISA-N 525.609 2.788 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)CC1 103778427 UUZWVKCAMBQAMI-IKQNMSGQSA-N 543.624 2.750 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]21 408683319 HTTHXOXPCVZYAU-ZHODDXKCSA-N 507.930 2.660 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2C)cc1 409184961 ITNHHZKDGIQDCW-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 34873150 LXXRQIOTBYGYGF-GXOBATCFSA-N 519.664 2.815 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408679290 GLIZFKGEBQTZQJ-YWALVYIISA-N 542.224 2.563 50 40 KFGB O=C(COC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccccc1 408688207 WLMZGMFGYDOWJT-UHFFFAOYSA-N 519.124 2.901 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC(C)=O)c(OC)c1 408945003 JZCDJHQPGYSUPI-XMMPIXPASA-N 570.624 2.514 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409260656 UEJKMFIDKXZAEG-VNNUCYRFSA-N 523.373 2.765 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408680254 HLGBBFZSRUSFCW-KDURUIRLSA-N 526.343 2.523 50 40 KFGB COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)N1CCOCC1 409012766 KLZFQUGZPYJONM-BHGWPJFGSA-N 571.222 2.927 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cc(Cl)ccc2OC)cc1OC 15905822 CISWRKDRAZXKCW-UHFFFAOYSA-N 525.027 2.759 50 40 KFGB COc1ccccc1NN=C(C(=O)N/N=C/c1ccc(OC)c(OC)c1)C(=O)N/N=C/c1ccc(OC)c(OC)c1 101390601 HTWIGYVNCHXPBV-RKMZGRCJSA-N 562.583 2.798 50 40 KFGB COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c(Cl)cc1Cl 102992926 SXYOGKATECYIAJ-UHFFFAOYSA-N 576.418 2.792 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408676796 AGCILAOJVFCBOD-KPIIRZJKSA-N 614.287 2.903 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408683868 IZQSBQPQYUSBFF-WITHRNOMSA-N 542.224 2.645 50 40 KFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C)cc2)cc1 409183570 DJHZDSVTEMPYQP-LQKURTRISA-N 524.599 2.603 50 40 KFGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O 20061176 VWUDTKQLOKPQCX-JCJHSNGYSA-N 522.627 2.729 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 140693668 WAQDYJVSXDREFH-UHFFFAOYSA-N 540.301 2.917 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c(OC)c1 408801188 SAPQTHKFNSMSQN-NVJOKUIPSA-N 562.366 2.947 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548041 WHEQWGXHAPLCDX-HIWKEIFESA-N 536.610 2.592 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1OC 8819494 GNKPFYNUTDLUNS-UNOMPAQXSA-N 501.586 2.852 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 150452991 IOEPBDSHGVGYOS-AJBULDERSA-N 633.687 2.575 50 40 KFGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1cccs1 217401987 LHUOSFJZHJWCKS-LAJIVBRHSA-N 544.637 2.594 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)o2)c(OC)c1 408922718 GPCFQLTXNRWYMO-OGCGYOKDSA-N 527.578 2.855 50 40 KFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cncc(Br)c3)c2)cc1 12521397 UVWDXTDOVFCQOD-UHFFFAOYSA-N 505.350 2.728 50 40 KFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408675556 BJCNTRSXBWXYIQ-MTJCSHQQSA-N 562.642 2.908 50 40 KFGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)ccc1Br 408684417 JYLMTGJWADXWGR-XRWATXQWSA-N 518.191 2.705 50 40 KFGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)c1ccccc1 408768627 IABFSJJOPPCKPO-IZVPMIMASA-N 533.404 2.848 50 40 KFGB CCOC(=O)COc1cccc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 1529548745 NAHBIDSWPJBUFJ-STCIDUQHSA-N 554.625 2.514 50 40 KFGB COc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1I 8396998 XUSMSEQAPHJZRK-UHFFFAOYSA-N 694.264 2.696 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1C#N 408998267 UFUMJOHFBURGJL-MXAYSNPKSA-N 534.354 2.533 50 40 KFGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)c(=O)c1C#N 409004267 OYFIZXKSWWQIRZ-GATIEOLUSA-N 531.367 2.596 50 40 KFGB O=C(O)CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 12565237 SCVLKFRXJKIFKL-LKUDQCMESA-N 501.561 2.631 50 40 KFGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc1 408538219 ZGXWIMYNJZFQAF-RYWOFYDYSA-N 501.543 2.846 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1OC 409260815 WWMYLGQGXJDINY-OKCVXOCRSA-N 522.533 2.669 50 40 KFGB C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(OC)c1OCC(=O)O 59248224 MNMJQGICXLQQOE-LSHDLFTRSA-N 510.284 2.961 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3OC)S(C)(=O)=O)cc2)cc1 408831474 QPPUILQTLSTDDI-LQKURTRISA-N 554.625 2.946 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409256135 OBMGMFOTRXNFJB-YSURURNPSA-N 523.771 2.857 50 40 KFGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409270363 DRYHMYFMNBCQEK-OCVIWRJKSA-N 531.407 2.829 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1[N+](=O)[O-] 59490212 KDJPXPXCBHWJIJ-AFUMVMLFSA-N 514.491 2.851 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857149 YJVSFMSNGZJOTC-CVKSISIWSA-N 558.569 2.975 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 408876623 MQWJSIGBDNGPIC-STBIYBPSSA-N 538.626 2.615 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(Br)c1O 408999914 UDAQQEFVBRORHK-UZODHMQISA-N 643.491 2.724 50 40 KFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409158728 YSOGAZALEYUWQJ-DHRITJCHSA-N 505.369 2.842 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1 19954979 JTWHLEHLYQEWDY-KGENOOAVSA-N 515.373 2.996 50 40 KFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 28213218 MMLVFTHSWAWGFH-RDRPBHBLSA-N 522.627 2.861 50 40 KFGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537743 WXHLOGBVHJMQCK-RGKQAONTSA-N 501.474 2.622 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1[N+](=O)[O-] 408691049 XVZYDUQLEGABSD-RRBVXWDCSA-N 587.221 2.551 50 40 KFGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3C)cc2)nnn1-c1nonc1N 2206733 MOPSAWPFHWVZCV-MZJWZYIUSA-N 503.567 2.726 50 40 KFGB NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 103041976 JNOWPCRZCUZKMI-DEOSSOPVSA-N 567.577 2.964 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc(OC)c1OC 408535296 NLYSPMLIXFFVEH-HYJDQMTASA-N 577.525 2.719 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1 409252351 RZAWDKWUGYBVDU-WKULSOCRSA-N 518.526 2.598 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 28213115 YQVIIHCUPAVJON-RDRPBHBLSA-N 522.627 2.649 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc1CSc1nnc(C)s1 97966756 FPEBOWFSDGQHSP-KTZMUZOWSA-N 603.741 2.793 50 40 KFGB COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3O 248334535 LRXYHMMJJCTUMY-VOSVQNMCSA-N 511.575 2.855 50 40 KFGB biogenic CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409321532 GRAMMTWMDZOBOW-ZWKOTPCHSA-N 510.410 2.845 50 40 KFGB CCOC(=O)[C@@H]1CCC/C1=N/NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 15905795 YISMHKFMFQFXHM-XZSXMJNUSA-N 503.577 2.735 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1 408610302 NJFQPMLSKPOHSJ-WYMPLXKRSA-N 505.369 2.840 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccccc1Cl 408684711 KIXAFVREXHXLNV-WYUUTHIRSA-N 536.604 2.744 50 40 KFGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409310747 WINQFOQGEVBIKS-QZTJIDSGSA-N 510.410 2.797 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCC)c1 1529546097 CQRSITBVVVJVKQ-OGCGYOKDSA-N 526.615 2.979 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1O 59490208 HVTQDWIISYUYIO-VULFUBBASA-N 515.519 2.657 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 59856045 ZLIQULGIMVBQPM-AJBULDERSA-N 594.690 2.977 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 100145519 DGPUMLZAXGVFEQ-VFLNYLIXSA-N 623.475 2.571 50 40 KFGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)C1=O 408536959 UDPXIWOXCYTPSR-ZTAUZCEESA-N 513.510 2.871 50 40 KFGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408588770 JOMWMZRJTUGFKP-WSDLNYQXSA-N 509.304 2.598 50 40 KFGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408778709 XBSNDUYPZAESFP-JNPOWPEBSA-N 561.085 2.944 50 40 KFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 409001286 HNCZTWSACDQCJR-FATVPAFBSA-N 637.487 2.632 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(OC)c1 408926100 XLSSEFMLYMTRLD-RJRLBWOVSA-N 519.558 2.825 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409161621 WQGMIAPEWDDUQJ-GKUPWBJXSA-N 536.507 2.867 50 40 KFGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 20212650 HIWHPWGKVDJRPY-CVKSISIWSA-N 521.039 2.956 50 40 KFGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)SC1=S)NNC(=O)c1ccc(Cl)cc1 150453339 PXLRQBXYRYLTOR-FMQUCBEESA-N 711.656 2.928 50 40 KFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OC 408877454 RPSVEMHRUBYXJM-YDZHTSKRSA-N 526.409 2.947 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409325016 WPZSNUVSQUULED-MSOLQXFVSA-N 510.410 2.701 50 40 KFGB O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)Nc2ccc(Br)cc21 100720452 OCZDPTWFYIHNKJ-UHFFFAOYSA-N 518.331 2.891 50 40 KFGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409321527 GRAMMTWMDZOBOW-QZTJIDSGSA-N 510.410 2.845 50 40 KFGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409371625 FLZOJWLMGPDLDC-NHDPSOOVSA-N 511.272 2.834 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382800 OZGNQAREEKYJKH-RPBOFIJWSA-N 575.574 2.949 50 40 KFGB COc1ccc([C@H]2C(C#N)=C(S)N([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(C)=C2C(C)=O)cc1 5956518 GBZRSUBGIAAIIR-VOUUHQCFSA-N 630.672 2.705 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59646207 QSVXRKRQSVYPMB-MFKUBSTISA-N 525.543 2.907 50 40 KFGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409126217 BEVDQMBPXJCZTH-RDRPBHBLSA-N 662.506 2.874 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1 409158333 YCVRKAJLYRXIAY-WSLJYYCZSA-N 537.798 2.865 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 58873744 BRZYXJCJZNSHNV-STBIYBPSSA-N 504.543 2.530 50 40 KFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408771932 LKYKUZZMOOPQBB-MSXFZWOLSA-N 504.952 2.817 50 40 KFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC(N)=O)c(OCC)c1 408905735 DDVMJPCPNOUUET-NPSPNJCMSA-N 535.395 2.519 50 40 KFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 33862775 DBGHEHHIWOPSRQ-MXAYSNPKSA-N 520.380 2.907 50 40 KFGB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 102994773 FWHFUOLPYARUDS-WOJBJXKFSA-N 564.542 2.609 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408829167 OEOQGGCWQCXLKT-ZCTHSVRISA-N 610.689 2.595 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)c(OCC)c2)c(OC)c1 408952938 LBJGZODAQXIEPG-ZLLCIIDXSA-N 565.583 2.716 50 40 KFGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 408998188 KNFCDWOZUKIMCU-FEQVGWTLSA-N 574.634 2.621 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409261348 AMZCLPHLOHVKFX-WMGMBDKSSA-N 523.373 2.765 50 40 KFGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 409382065 KBZMXVKWIHNXTP-FGZHOGPDSA-N 549.492 2.508 50 40 KFGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408823288 DRZIRCIMNUUECI-MBTHVWNTSA-N 547.033 2.845 50 40 KFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 100145510 LJDBOSZQEPJNIB-ZCTHSVRISA-N 573.631 2.876 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408777045 UWPNSNONGPYQQC-JVWAILMASA-N 538.582 2.786 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccccc1C 409166765 FZESSFJNKVMVDF-KKMKTNMSSA-N 590.374 2.985 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC)c(Br)c1 1529548007 VINVNHWXFHGRHF-RLONDSQRSA-N 619.494 2.886 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@@H]12 408690441 VJNWDWHDJPNBMF-OZPQRRJYSA-N 507.930 2.660 50 40 KFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)cc1 408779748 JRDFCSSHXCFJIF-FMCGGJTJSA-N 519.377 2.918 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)NCc1ccccc1 409150487 CKCXQXKVSUPAKV-ZCTHSVRISA-N 502.571 2.590 50 40 KFGB CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCC#N)c(I)c1 59334218 SWVQVCHJGSPFBL-YHYXMXQVSA-N 507.069 2.793 50 40 KFGB O=C(N/N=C/c1c(F)cccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 100418067 XBCJDZVPSRVUKC-PVPASAESSA-N 565.048 2.693 50 40 KFGB O=C1C(NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C/C(=N/S(=O)(=O)c2ccccc2)C2=C1CC=CC2 101181429 RVMOTSXKIYPDAK-XHPQRKPJSA-N 523.483 2.681 50 40 KFGB O=C(CNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 104096661 OUAGLMNJDOMDPG-RUZDIDTESA-N 606.588 2.551 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408837512 HNLCDLXBBXIUQJ-OGLMXYFKSA-N 538.626 2.944 50 40 KFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(I)cc(I)c1O 408847655 NXCKUQLZKMUGSI-CGOBSMCZSA-N 565.105 2.892 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c(OC)c1 408948714 DGOSSEPCHDWULR-RNBGMOGSSA-N 606.386 2.792 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2)cc1 409262578 HZIKLDGSPNMNQF-STBIYBPSSA-N 504.543 2.878 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(OC)cccc4s3)cc2)CC1 9381745 JTVNQZCUXSLDHB-UHFFFAOYSA-N 519.605 2.525 50 40 KFGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 13134704 LXXRQIOTBYGYGF-BCFTUSIQSA-N 519.664 2.815 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59443682 SDWXACGKWBDHGK-JVWAILMASA-N 522.583 2.773 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408691413 ZUANEARCDZCCRN-AAIHTIDVSA-N 614.287 2.902 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(F)cc2)cc1OC 409114481 JYGYBUZIXQJRFW-STBIYBPSSA-N 601.613 2.933 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409174522 NAXMZUCFDZMKQB-CJOYWQKLSA-N 608.433 2.679 50 40 KFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103864051 QXALZGKBAIZWRU-SSDVNMTOSA-N 585.311 2.691 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408679524 CPDBTESKWAHWFO-ZKOVTCOQSA-N 600.260 2.511 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408683353 HXFPTLINKCGFHM-YBZCJVABSA-N 564.809 2.928 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(O)c(OC)cc2Br)c(OC)c1 408926111 XOCBQLQQJWYRGJ-RCKHJMGGSA-N 591.415 2.892 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409113524 GPXDWRHPZDXAKJ-MUFRIFMGSA-N 601.634 2.618 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N\NC(=O)c1ccc(Cl)cc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 150387163 YUPDSCFYOHAMPZ-NXXLQRLOSA-N 680.110 2.899 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409315170 NMELSJGXAUTFIP-SFTDATJTSA-N 509.540 2.591 50 40 KFGB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100034920 WAKFXYGLOHKLJO-UQQIOGDDSA-N 522.430 2.608 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c(OC)c1 408923723 KWEKTFOAYZZTEK-SQAVDECTSA-N 720.258 2.940 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC(=O)O)cc1Br 408943651 HYNOYAQQRWLWBT-XMMPIXPASA-N 635.493 2.806 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1OC 409257043 REQFOJYYDIKPLE-OCSSWDANSA-N 518.570 2.839 50 40 KFGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409258188 RWECRECCDGBSCU-HIDRHVPLSA-N 531.407 2.829 50 40 KFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C 39948760 AZSPXCBXKGRXNS-HSXIXURASA-N 523.989 2.518 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)c(OC)c1 408926519 YIBFMIQLHIAXJY-CKWAUKHYSA-N 540.573 2.823 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857140 LMONYZFEOABOMT-CVKSISIWSA-N 558.569 2.975 50 40 KFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 100028362 JGYYORQGICUNOT-CCVNUDIWSA-N 536.497 2.720 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)c(OC)c1 408958392 YLDMBLQOYXXTCT-GVYDMDKTSA-N 619.027 2.931 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1C 409151881 CNQLHORFQHPWCR-BHGWPJFGSA-N 505.369 2.758 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408691414 ZUANEARCDZCCRN-HCZWYIOHSA-N 614.287 2.902 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 408859306 SJIFAJFYSSZDJI-IPPBACCNSA-N 534.516 2.915 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1O 408986389 CAMNGHWISWIDAV-FVIBMMNASA-N 516.352 2.874 50 40 KFGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N3CCOCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409313567 CLTMPGYAFACEBL-ROUUACIJSA-N 528.414 2.722 50 40 KFGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)cc1 409381599 HKWVIYVBTZBQTF-PKTZIBPZSA-N 575.574 2.968 50 40 KFGB CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)c(OC)c2)C=3C#N)cc1OC 100771176 ZSIJDHWHOPUQMX-VPCXOLIJSA-N 530.606 2.676 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409115373 IWWUOIBDKSCRNA-JFLMPSFJSA-N 588.595 2.983 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2OC)cc1 409159829 VFABNABFUIKJIJ-OCSSWDANSA-N 534.569 2.887 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(=O)c1C#N 409201230 OULPMATTZSORRN-XODNFHPESA-N 519.514 2.821 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 409260698 UVNYZZUXMQTYSJ-MZJWZYIUSA-N 504.971 2.748 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1Cl 409267617 WMIJPZFNMPSHNP-JAGRMCENSA-N 502.955 2.502 50 40 KFGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 16157827 NILZPRWZVNWSBY-JSGCOSHPSA-N 506.154 2.514 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408767572 MRGAXEPCLCGXHX-MFKUBSTISA-N 525.543 2.907 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 408863610 TWDFSBCDLRIHNH-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)c1 409185257 VAOURDWXBGDWOF-UXHLAJHPSA-N 536.654 2.957 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 103896997 NQXHCEORWQDJJN-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408675484 AWWQWQKUTGBJAI-PWTXATHPSA-N 542.224 2.563 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 408676991 DQEJSTBUTJVMKF-DJQNJWNESA-N 542.224 2.563 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 408859639 OKMVTRBHTFVGFT-CVKSISIWSA-N 537.038 2.656 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1OCc1ccccc1Cl 409161934 XHGKNBLVLRVDHS-OGLMXYFKSA-N 502.999 2.606 50 40 KFGB CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)[C@H](NC(=O)c2ccc(OCC)cc2)C(C)C)C(C)C)cc1 14139535 CLJHMKAKZFDEKN-PSWAGMNNSA-N 526.634 2.840 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 102658265 UTWBUOTXVVOIPF-AJNSVLDYSA-N 526.225 2.878 50 40 KFGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968000 WGYULMBZDPVJCR-FOKLQQMPSA-N 538.367 2.816 50 40 KFGB C[C@H](NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1 408688355 QPPWUVZPXNDZIJ-XVUIADJASA-N 556.251 2.573 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 408950852 SNJVCVPEONTZJF-XMMPIXPASA-N 649.520 2.895 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409165466 YMDCWNOOOGIGRA-KIBLKLHPSA-N 505.369 2.597 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1OC 1529544309 CAKONOCZXXRWDF-LBWPQLDNSA-N 512.588 2.589 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 408828785 JIWHKGQEYXVITQ-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)c(OC)c1 408922942 HUZDQWVBYMNAMP-FDBZCLHMSA-N 539.589 2.999 50 40 KFGB O=C(CCCCC(=O)NNC(=O)c1cccc(Br)c1)NNC(=O)c1cccc(Br)c1 8397952 JBXLNKHSQNREKT-UHFFFAOYSA-N 540.212 2.994 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 28213323 XQEAABHFOFSGSR-WGOQTCKBSA-N 510.572 2.629 50 40 KFGB COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101129797 NJJSBHNHBYMKBO-XLNRJJMWSA-N 535.626 2.620 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1[N+](=O)[O-] 408691050 XVZYDUQLEGABSD-WWEGZTGJSA-N 587.221 2.551 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccccc1 409175079 ZBOJPAXTTNAUSC-XODNFHPESA-N 553.369 2.962 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1 1529547793 OZGDTNMCWISNCE-RVRSLOCESA-N 511.560 2.788 50 40 KFGB CC(=O)O[C@@H]1[C@@H](CI)O[C@@H](Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 70670129 JYQSZRQLYLAOEK-UYTYNIKBSA-N 526.707 2.674 50 40 KFGB biogenic O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccc(O)cc1 408732069 RMIIHYFFZZASPE-KEBDBYFISA-N 507.313 2.793 50 40 KFGB CCOC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 6089420 IFJBPERYMVGYFG-WOJBJXKFSA-N 506.496 2.819 50 40 KFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 20208245 NLVIQNDJGTZOIZ-WGOQTCKBSA-N 500.621 2.611 50 40 KFGB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc1 102994040 BJDSVTJAKQXDLJ-QGZVFWFLSA-N 557.492 2.937 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1 408646486 PMOVZSXXVSHALS-UHFFFAOYSA-N 503.939 2.876 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408841566 LJNYLFSOWFTRBQ-JVWAILMASA-N 541.582 2.601 50 40 KFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)c2ccccc2)cc1 408923924 IEUJGCBBWNPNLM-WPWMEQJKSA-N 525.583 2.983 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409156236 NJHGLJBZMIPETR-OPEKNORGSA-N 505.369 2.678 50 40 KFGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409255506 LGQYCPMFCHZGAF-WKULSOCRSA-N 502.527 2.762 50 40 KFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408740469 GFMOVGZGVNGVAH-MNPVBQOISA-N 536.389 2.616 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1COc1ccccc1 2247561 UVRBHIDAFOLGFP-BRJLIKDPSA-N 515.446 2.744 50 40 KFGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(Br)c(Br)c1O 16194697 UOEPNXSMBIQOSQ-DNTJNYDQSA-N 510.146 2.730 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1 408531334 GSHJDUKKLKRHOW-SLSPDHCBSA-N 510.675 2.559 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c([N+](=O)[O-])c1 408943538 HTJSJISYNXHHDK-HXUWFJFHSA-N 592.428 2.948 50 40 KFGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409266484 XDNZQULXTHULPZ-IPPBACCNSA-N 502.527 2.816 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)c(=O)c1C#N 15018619 FZUIHCSJLYBYCG-HIUVJMHLSA-N 514.901 2.709 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1OC 408891688 BFTISKGJAZTGPH-ZMOGYAJESA-N 505.984 2.768 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1OC 409185167 SRSNWFBVFQHPTO-PXFLCDOESA-N 610.689 2.723 50 40 KFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476105 DDGROTVZJJWPSJ-YZSQISJMSA-N 568.568 2.685 50 40 KFGB O=C(N/N=C\c1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408721624 KEBSQAFIBVDXIH-WBXJAQJHSA-N 547.058 2.554 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(F)cc1 408994507 GIRYVEZLKCAYLZ-MSXFZWOLSA-N 527.334 2.800 50 40 KFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409174250 MJUKESNDTNVNNN-JFLMPSFJSA-N 577.432 2.573 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409388077 TZMLMPBSIVVBQB-GOTSBHOMSA-N 518.522 2.909 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)c(OC)c1 408926522 YIBFMIQLHIAXJY-HHSRISMTSA-N 540.573 2.823 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100284625 XWPLITDWAONLGE-NTFVMDSBSA-N 555.609 2.597 50 40 KFGB COc1cc(/C=N\NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 101025529 CYFWZVSHQDLANH-BUOZWKDNSA-N 600.613 2.507 50 40 KFGB CCOC(=O)CNC(=O)[C@@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 150399055 JGNDXONLUYUXKG-RGSZASNESA-N 706.840 2.951 50 40 KFGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1Cl 408645309 LAOGWTWLAFWSMC-AWEZNQCLSA-N 508.756 2.768 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1 408686416 NBBJWUUTQIRYON-LVEBTZEWSA-N 536.604 2.744 50 40 KFGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(I)cc1OC 408950327 GVZJXCRTNBOQJL-YTYIVALLSA-N 724.505 2.970 50 40 KFGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 20060837 DDNQNIJDFVTBLR-OJWZXOLNSA-N 500.621 2.819 50 40 KFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccc(Cl)cc3)o2)cc1C 408811418 LHHXZTDKMZOYJH-NUJZUDFISA-N 509.950 2.571 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408855966 FJTLMSOWPSKSRS-OGLMXYFKSA-N 538.626 2.944 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409175989 WNWFGGHGYUFWMR-NHHTYEGYSA-N 612.396 2.592 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(C)=O)c(OCC)c1 1529548376 DZDDWBBNRKFLSJ-BAWRWLFMSA-N 554.625 2.896 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 100287431 YZUGVEJUZPKCCG-CVKSISIWSA-N 539.570 2.903 50 40 KFGB COc1cc(C(=O)N(NC2=NS(=O)(=O)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 100877100 WFWDGAFOOZWLNZ-UHFFFAOYSA-N 545.595 2.506 50 40 KFGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c(C)cc1Br 408537306 ZWXBUOMFCKKFSA-NTEUORMPSA-N 516.308 2.684 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1 408690577 VZMXDXKLYQCRBI-HPKFOSBRSA-N 562.642 2.990 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccco1 409370145 LVOCUOKXEZBGDT-ZWKOTPCHSA-N 535.292 2.883 50 40 KFGB CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)/C(C#N)=C(/C)N 254866308 FLRLRUHTWHUNER-YKRMCXMESA-N 562.442 2.832 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(C)c2)c(OC)c1 408958608 ZLOOYKRHZWQTQY-GLYQIKNISA-N 510.547 2.732 50 40 KFGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408994465 HSFSRRDEMCIZPC-MYKKPKGFSA-N 649.223 2.955 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529547973 TWDYBJAUPYVHTF-CKWAUKHYSA-N 554.625 2.514 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1OC 19955622 OAXOYVBSEWFJPE-UHFFFAOYSA-N 508.556 2.680 50 40 KFGB CO[C@H]1C[C@@H](C)CC2=C(NCCCl)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1O)C2=O 104211032 NDSRHDSAGOYHHW-NNZTZCOHSA-N 608.132 2.590 50 40 KFGB CO[C@H](O)[C@]12O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@@H]1Oc1nc(=O)ccn12 263607626 SDNSUZRVBFXLON-ZNCFPDGUSA-N 528.751 2.977 50 40 KFGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1Br 409263375 KNCJZWCOFOKAES-XIMCHAMWSA-N 517.380 2.520 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)=O)c(OC)c1 1529547644 NIEAGGXMLCJAAR-XGVLDKRDSA-N 540.598 2.506 50 40 KFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)OCc1ccccc1 408990564 OEBFVERHWRAJGU-XIDZHNATSA-N 578.323 2.616 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409157202 PGPSMKLRRUVTHB-UVHMKAGCSA-N 537.386 2.987 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409388080 TZMLMPBSIVVBQB-XZOQPEGZSA-N 518.522 2.909 50 40 KFGB C#CCOc1cccc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 1529549144 SSIQYHOBIMLKFX-DEHNYIOBSA-N 506.584 2.584 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 28213366 MTSVVJFJCXRRAK-WPWMEQJKSA-N 530.647 2.829 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C#N 100544417 FILMPBZXTPHMDD-LIMNOBDPSA-N 522.312 2.625 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cccc(Cl)c1 408842138 MMWSOKPJLCJUCZ-LQKURTRISA-N 529.018 2.952 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408690196 UFJHSWSLLSATCD-OALUTQOASA-N 526.343 2.523 50 40 KFGB O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OCC(=O)c1ccccc1 4175157 LSXCXWSRXHPUFM-DWSJNBLDSA-N 513.182 2.581 50 40 KFGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 13134707 LXXRQIOTBYGYGF-HJXOOYGYSA-N 519.664 2.815 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)c1 408776371 ZMGBAIBCABINJR-MSXFZWOLSA-N 565.402 2.627 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408957087 SFVHCEIVKJWTTN-FNYQFALQSA-N 552.584 2.989 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1OC 409261300 COYFUPPCNOJJOS-OCSSWDANSA-N 518.570 2.839 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409313382 PTERUINXMXKXIW-FGZHOGPDSA-N 507.568 2.569 50 40 KFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(I)cc1 15018793 QBKIMAYTVSZPBE-YDZHTSKRSA-N 509.344 2.661 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1 408531330 GSHJDUKKLKRHOW-SCDDIDHTSA-N 510.675 2.559 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 409152193 AMRXIEOSHRQNRH-OGLMXYFKSA-N 520.542 2.932 50 40 KFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N1c3c(cc(OC)cc32)C(CN2CCN(C(=O)OCC)CC2)=CC1(C)C 1554503026 BAAXJHGNXPINRA-WJOKGBTCSA-N 591.665 2.790 50 40 KFGB CCOC(=O)c1ccc(N2C(=O)/C(=C\NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 3278702 BGLMKQDFXAHMCZ-HVUZKSCUSA-N 513.506 2.852 50 40 KFGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 34873147 LXXRQIOTBYGYGF-SWCOFVSZSA-N 519.664 2.815 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1-c1cccc([N+](=O)[O-])c1 102453838 HGURLFLRYMMIAF-UVHMKAGCSA-N 584.465 2.699 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Cl)cc1 409384789 FOVPYIBWAZUGRE-VQTJNVASSA-N 510.886 2.637 50 40 KFGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)NC(C)C)cc1I 97960741 IKHYFIQYOYPLGY-NYYWCZLTSA-N 554.122 2.879 50 40 KFGB O=C(N/N=C\c1cc(I)cc(I)c1O)[C@@H]1COc2ccccc2O1 100901503 PIHSJBQINWBMJP-FDFSMXBESA-N 550.090 2.892 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409158760 LOTZAGRXSPXBRS-KWRYHKOTSA-N 582.395 2.691 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(OC)c2O)c(OC)c1 408924069 NJBQWIZUWAAHHC-ZGVXQSDHSA-N 591.415 2.892 50 40 KFGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(=O)OC)cc3)[C@@H](C(=O)OC)C(=O)N2)cc1 409317705 RVIXAUIWARSWCV-FGZHOGPDSA-N 523.567 2.982 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409378387 PAFCOMONQMBSAN-LOSJGSFVSA-N 621.599 2.595 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 1529547712 OJHXFCNQJGEBHI-BMJWKCNQSA-N 605.467 2.798 50 40 KFGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2O)C(C)C)cc1 6190652 YTRAWZKLCQUWCJ-QHCPKHFHSA-N 504.543 2.869 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(C(F)(F)F)cc1 100858447 NRLAKLMKCWQLEN-MXAYSNPKSA-N 533.370 2.925 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 408805568 GTTUNULZUDAXCN-NVJOKUIPSA-N 562.366 2.947 50 40 KFGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 409260939 YUHOKMUSADSOIE-WKULSOCRSA-N 518.526 2.598 50 40 KFGB CCOC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 6089421 IFJBPERYMVGYFG-UXHICEINSA-N 506.496 2.819 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C 408690613 WBKHRKZMDABJAI-BKFPYEJXSA-N 556.251 2.952 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(OC)ccc1OC 1529547441 LBVPAKYSWAQNCE-WTQOLCSMSA-N 512.588 2.589 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1COc1ccc(C(=O)OCC(C)C)cc1 100900876 OBTFPMFAKLIDLN-KVSWJAHQSA-N 548.560 2.705 50 40 KFGB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC#N)cc1Br 103134413 BYYVDQIKTYFMQK-ZMZPIMSZSA-N 562.851 2.885 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc(OC)c1OC 408530765 FSTJCWMARYQPKB-WILPMDNXSA-N 577.594 2.564 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Br)cc1 408533658 KKCQNFFZPVKXRZ-SLSPDHCBSA-N 555.126 2.669 50 40 KFGB CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nnc1-c1cc(OC)cc(OC)c1 408637336 IPNNMWWCBAFZIT-UHFFFAOYSA-N 505.984 2.954 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408688120 PZBFHFQTYGRPAC-IGQFXSRTSA-N 525.385 2.591 50 40 KFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(N)=O 409218834 LHOWJERGHGYNNW-OVCLIPMQSA-N 549.321 2.886 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409255937 MKJLYEZEJDKMAK-OBPDLJBASA-N 523.359 2.979 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 1529547668 NZAPAVUUKPGEDU-ULSTVQTHSA-N 592.428 2.948 50 40 KFGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 8437841 SNQBTIREZSIRDE-MOHJPFBDSA-N 520.611 2.763 50 40 KFGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC 100309565 ARESMQFPGHADGE-MZFJOGFUSA-N 532.597 2.598 50 40 KFGB CCN1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccccc32)c2ccccc21 103688687 LTAQJCHXWARNLF-LQAAPGBJSA-N 502.575 2.711 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OC)c1 408944078 IGHMNKMKWNUWRS-HSZRJFAPSA-N 512.588 2.589 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409150296 BFGSZONXGGMGMF-OPEKNORGSA-N 564.380 2.663 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382797 OZGNQAREEKYJKH-JWQCQUIFSA-N 575.574 2.949 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408689869 STSVZVLNRGBKAW-XGUBFFRZSA-N 530.213 2.707 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409151284 ACYGGTWVFMRIKN-VNNUCYRFSA-N 567.824 2.874 50 40 KFGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c(Br)c(Br)c1O 16134340 PMNOIWKFIWWIDF-IQXUTEKDSA-N 511.170 2.906 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C)c(C)c2)cc1 28212961 YMCDSIIESNMZEF-RWPZCVJISA-N 508.600 2.822 50 40 KFGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccc(Br)cc32)cc1 100748763 DDOFOYDREXONKQ-UAFDLPACSA-N 606.477 2.942 50 40 KFGB biogenic C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1)c1ccc(OC(=O)c2ccccc2)cc1 101001596 LMFOADKNCUAFGC-RDRPBHBLSA-N 543.588 2.838 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408684979 KQRNQBFVTMXNBE-JDLKNYJJSA-N 562.642 2.988 50 40 KFGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408867505 LEYNOMXTUMBNOR-VYYCAZPPSA-N 511.922 2.675 50 40 KFGB Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966855 ONSHGOTWGXDVNM-MSXFZWOLSA-N 552.394 2.875 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(=O)(=O)c1ccccc1 58924835 SUJYXGKGSQPPKD-WPWMEQJKSA-N 525.583 2.983 50 40 KFGB CC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102239507 GSSHMADOQRCHEI-MKHHZMAMSA-N 512.198 2.994 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408690987 XPAIYXULYNXPLI-CUCNBHGHSA-N 542.224 2.643 50 40 KFGB N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCOCC1 408763463 FNFOGPVMLFMUHK-XNTDXEJSSA-N 522.333 2.891 50 40 KFGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1 408972766 WUYQNCPNAPOLQF-SDHJZUEUSA-N 533.423 2.682 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc(OC)c1OC 1947612 PKLMLHOJMODZTJ-GDWJVWIDSA-N 516.554 2.552 50 40 KFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)c1 9233169 HDVTZEWIWXHVJY-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409004564 XOUCKRFCNBJTPS-MNOULKQQSA-N 568.349 2.832 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409169049 OKTPAXDJZBURAV-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409154469 BCIAXIDSPLYHSR-APYSBUGJSA-N 547.406 2.529 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]21 408690634 WDULSPSWBKKFIE-UHVFKWDWSA-N 552.381 2.769 50 40 KFGB O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408871910 ZKRFFCKAVKTKBE-QDTIIGTASA-N 516.341 2.608 50 40 KFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 409027072 WRFHKWPYOPOBPD-XDHOZWIPSA-N 516.317 2.506 50 40 KFGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 100145273 FGECUTGMJKGENC-GGGXGRJCSA-N 578.691 2.744 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408874883 DTGKUMLNQUHWIV-NDZAJKAJSA-N 580.663 2.587 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1CN1CCN(c2ccc(F)cc2)CC1 97966615 QHVPXOBZDPGWEY-FABQOPTDSA-N 631.717 2.698 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408683065 HHSDZTWSJSEGGO-XGUBFFRZSA-N 530.213 2.707 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1Cl 408880884 IZNPYWWSBZQYDH-LGJNPRDNSA-N 518.979 2.545 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC(=O)OC)cc2Br)c(OC)c1 408949193 DYYVRCQUNHHZTG-GIJAYGPYSA-N 663.478 2.738 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 408950847 SNJVCVPEONTZJF-DEOSSOPVSA-N 649.520 2.895 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 1529547705 OILLDPCDUAGLNN-ULSTVQTHSA-N 592.428 2.948 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 138929846 OARMEJHIEWZRHZ-UHFFFAOYSA-N 503.939 2.876 50 40 KFGB Cc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)c1C 408842495 PRFSCDGZADMPSX-SECKTWPTSA-N 554.694 2.826 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409164156 DEFOKQXHFPQUIJ-MZJWZYIUSA-N 504.971 2.531 50 40 KFGB O=C(CCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1 100044198 KFXKFNCVLDAWTE-UHFFFAOYSA-N 514.538 2.526 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(O)cc2Br)c(OC)c1 408956630 RJBWLUXJPQDYAA-BMJWKCNQSA-N 591.415 2.892 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 59646809 MOCCEECOVDESLE-UPSBPNDASA-N 595.634 2.614 50 40 KFGB COc1ccc(/C(C)=N\OCC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1OC 100302412 SFWYKNMWGNMCIF-DEVDLMSBSA-N 532.395 2.593 50 40 KFGB C[C@H](NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1 408688351 QPPWUVZPXNDZIJ-BVBPJVTOSA-N 556.251 2.573 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)cc1O 408953711 XVDKKDUCTWQIKT-NRFANRHFSA-N 610.430 2.587 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccc(Cl)cc1 409263709 BRTDFQLQLUZUTG-XODNFHPESA-N 508.918 2.853 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1F 28213406 JAYITJRJYGYUTK-CVKSISIWSA-N 504.584 2.570 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408683894 NRGHUIDUSPYSEG-VUEDXXQZSA-N 540.370 2.603 50 40 KFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 13525758 JOKRLHDGVLAPEN-XQNSMLJCSA-N 519.579 2.832 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@@H]3[C@@H]2C1=O 33654503 WPJSCVOHMKPYEI-ZDFPQIBNSA-N 515.438 2.530 50 40 KFGB C[C@@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(O)cc2O)s1)C(=O)N/N=C/c1ccc(O)cc1O 100953336 RERKKYYNUBCWHS-FYTRELBLSA-N 562.655 2.622 50 40 KFGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(C[C@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c3ccccc23)cc1 102579211 JTGSQMGGBLQOGS-QKYGKQCYSA-N 539.702 2.717 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2O)c(OC)c1 408957446 UNGFVLYEFBTFAZ-PYGJLAGHSA-N 638.415 2.734 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409130803 UXNLUWQAEKQXGK-CVKSISIWSA-N 558.569 2.975 50 40 KFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 409261346 AMKNSWAMGMAEIF-FJEPWZHXSA-N 532.553 2.770 50 40 KFGB O=C(N/N=C\c1cc(I)c(O)c(I)c1)[C@@H]1COc2ccccc2O1 100882170 ISBQLGWEGRCBIT-FDFSMXBESA-N 550.090 2.892 50 40 KFGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)cc1 408535944 PEMKBTVFHODXNU-SQEMJAKJSA-N 513.510 2.871 50 40 KFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(I)cc(I)c1O 408721792 YPOOMJFNGUWXEI-QPJQQBGISA-N 629.156 2.734 50 40 KFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1 408780260 WJFYAHPJGRGNMD-FMCGGJTJSA-N 519.377 2.918 50 40 KFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408807933 LRMBRPMHEYXDGJ-MUXKCCDJSA-N 505.531 2.557 50 40 KFGB CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)/C(C#N)=C(\C)N 97979075 FLRLRUHTWHUNER-ZWUNQBBJSA-N 562.442 2.832 50 40 KFGB N#Cc1ccccc1NC(=O)/C(=N\NC(=O)c1ccncc1)[C@@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] 5834931 WXYCTCTYUJIRLK-RTVWWDFYSA-N 525.441 2.547 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 20214044 CILQKDMGLVUQOG-WGOQTCKBSA-N 511.556 2.947 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100772187 YWMSBTBFCOTHTB-NTQYLIGESA-N 592.598 2.729 50 40 KFGB O=C(NNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)c1cccc(S(=O)(=O)N2CCOCC2)c1 102909627 TWAUCUNSRGHVNR-UHFFFAOYSA-N 594.719 2.968 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]21 408690553 VVSMRARFLUPKRS-ZHODDXKCSA-N 552.381 2.769 50 40 KFGB O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1761797 AALYVFGFMUQZGH-UHFFFAOYSA-N 508.170 2.733 50 40 KFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 28215035 UDYZEMBUJTXLJJ-VEMGOHLESA-N 530.647 2.828 50 40 KFGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408784005 RHYCFJUVZUUPCG-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 408860561 YMJKGGZEWIKKPP-MFKUBSTISA-N 528.543 2.966 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1 409167241 HNVUZXVVIDAGHH-RWPZCVJISA-N 523.417 2.870 50 40 KFGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 409158315 YCGTXZSVBOELIS-MZJWZYIUSA-N 549.422 2.857 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl)Nc1ccccc1 409257548 SSUJHRYKHVFSMS-XODNFHPESA-N 508.918 2.853 50 40 KFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2I)[C@H](C(=O)OCC)C(=O)N1 1433796 NNVYYFQNNDOHDG-CVEARBPZSA-N 514.341 2.715 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 20214322 IIVZOBWDXYUYPG-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C 97979999 XAULLHNRCCBPSQ-KGENOOAVSA-N 544.630 2.633 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1 408863456 RYHHFZYZKPWXNC-OVVQPSECSA-N 553.597 2.786 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1CSC1=NCCS1 2373874 SASCTTCSEIREFS-RPPGKUMJSA-N 535.615 2.911 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770116 PZMPXCHYZLZUIT-UNMCSNQZSA-N 534.594 2.530 50 40 KFGB CSCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)NNc1ccccc1 5699333 UQEUZSKJIFIONU-RTWAWAEBSA-N 524.734 2.609 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100780966 NQQTYPVPNXLGIQ-HMYUIXTNSA-N 547.601 2.821 50 40 KFGB biogenic COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408860599 ZTJNCSDMPWOVFF-OCSSWDANSA-N 595.678 2.903 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409257007 NIHMQTHJVXBBNL-SJVIFIHQSA-N 523.373 2.765 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409267164 MDFKOXBOHOCNGY-BHGWPJFGSA-N 503.353 2.512 50 40 KFGB O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1n[nH]c(=O)c2ccccc12 13134768 BGLNZKCPFNEZJA-MZJWZYIUSA-N 515.511 2.538 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409257004 NIHMQTHJVXBBNL-GWSQHKCYSA-N 523.373 2.765 50 40 KFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3143205 RPOWFEUIQXHFJU-PUAWOXGXSA-N 502.439 2.973 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1C 20060746 ZMYRQRUHNLIWBN-WGOQTCKBSA-N 500.621 2.611 50 40 KFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408675657 BJCNTRSXBWXYIQ-SQXHVFGTSA-N 562.642 2.908 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1C 408862317 GTISWKYTAXUQRF-UXHLAJHPSA-N 536.654 2.957 50 40 KFGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 8449642 ROIGSQZNJHPUNL-LZVXQSAGSA-N 527.209 2.889 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1Cl 408837642 KLCZANTULHSAKE-ODCIPOBUSA-N 518.773 2.756 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)o2)c(OC)c1 408922715 GPCFQLTXNRWYMO-NRDUTDNZSA-N 527.578 2.855 50 40 KFGB O=C(O)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I 409016835 JTAQGLVZEKGXQC-RMORIDSASA-N 505.268 2.832 50 40 KFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408603672 GUJMOOOGKRFAFJ-RPPGKUMJSA-N 529.347 2.835 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408681608 FPPJTSWSLBPAON-PVRLWHMFSA-N 542.224 2.643 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)S(C)(=O)=O 408861802 DDGDKSVTSCMELT-ZVBGSRNCSA-N 520.789 2.742 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409168387 LZYAADMMVUVXDT-LUOAPIJWSA-N 500.861 2.589 50 40 KFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@H]3CCCO3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409323014 MCQCDXLSIRCCGL-XMCHAPAWSA-N 507.996 2.505 50 40 KFGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(C)=O 409369555 CUSILELKTBQUSC-LOYHVIPDSA-N 761.649 2.697 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccco1 409370144 LVOCUOKXEZBGDT-ROUUACIJSA-N 535.292 2.883 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770102 CWBGRWACBZQWRW-CTNGQTDRSA-N 504.568 2.521 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408957259 TUWAZMXSYKDWCH-DWWPEJCJSA-N 612.636 2.756 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccccc1Cl 408683786 IVFFFHYXOXGRKG-DRWMCFHUSA-N 562.642 2.990 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1OC 408862980 JXMGJWKBLNLRJH-LQKURTRISA-N 554.625 2.946 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 408871568 YZUVGYPDRYZKRY-JVWAILMASA-N 540.598 2.638 50 40 KFGB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NNC(=O)c1ccc(Br)cc1 3411177 GPCYWHUNMSMMLA-UHFFFAOYSA-N 546.399 2.546 50 40 KFGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 17595954 FRIJBJGMGOITIO-KHAAKTIWSA-N 552.657 2.895 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1OC 59443921 UOIPTPJPCZEVLC-WPWMEQJKSA-N 525.583 2.786 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl 408923044 DVINLTZHYVQJOG-XODNFHPESA-N 576.981 2.513 50 40 KFGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408952494 WEBDSOTZHGUCIC-AREMUKBSSA-N 550.637 2.982 50 40 KFGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)CC2)cc1OC 408969150 ICBMQQIPJAZAKQ-WYMPLXKRSA-N 554.419 2.746 50 40 KFGB O=C(CNC(=O)c1cccc(Br)c1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 1293592 KOGHKRUMEJCPOE-FAJYDZGRSA-N 535.354 2.975 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100780977 NQQTYPVPNXLGIQ-RPGJNGEDSA-N 547.601 2.821 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(OC)cc1 409265280 UGNVGCMVNGJPHB-REMUQMNCSA-N 505.369 2.840 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408608623 HXFINJLSJRBEBT-RPPGKUMJSA-N 517.380 2.844 50 40 KFGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1cccc(I)c1 408785343 WOKLODQTJRFONL-JNPOWPEBSA-N 652.536 2.895 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(OC)c1 408949375 QTSVABRPKLIQSG-QHCPKHFHSA-N 591.042 2.697 50 40 KFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409029336 ZJOBGQYOGREQTQ-FYJGNVAPSA-N 515.373 2.996 50 40 KFGB CCOc1cccc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)c1OCC(=O)O 409204128 BRPYOCPKADGOGX-MWYAZZEHSA-N 535.351 2.562 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 16479449 QZBGGJQDFZZYKT-MZJWZYIUSA-N 514.991 2.545 50 40 KFGB O=C(NN=C1CCCCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253572097 PTXYGOKZQGNOOD-XMMPIXPASA-N 532.688 2.967 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 8450031 MAIRMMVPQMFZTA-HJGLJVKWSA-N 526.225 2.878 50 40 KFGB COc1cc(Br)c(Br)c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1O 8843006 ZANBWPJIRJQEMT-DNTJNYDQSA-N 510.146 2.730 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@@H]3[C@@H]2C1=O 253488075 WPJSCVOHMKPYEI-GBAJDQEWSA-N 515.438 2.530 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(F)cc2)cc1OC 409129837 MJUQDFFNGXSSHK-VULFUBBASA-N 515.519 2.887 50 40 KFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@@H]3CCCO3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409323008 MCQCDXLSIRCCGL-KPOBHBOGSA-N 507.996 2.505 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 1529548305 CDPIJVXTQXFCQF-NSZYMRRGSA-N 540.602 2.546 50 40 KFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 8819644 FQZXVMQWFWXUHU-WQRHYEAKSA-N 514.541 2.766 50 40 KFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(I)c1O 13401044 PJZVGQUOYVWZMR-KPKJPENVSA-N 513.313 2.589 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)c1 408684033 JFMCFHJBUKWIBC-NDBASXRHSA-N 556.251 2.952 50 40 KFGB CCOc1c(Br)cc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1OC 32717125 NWAQAACJGLNENR-UHFFFAOYSA-N 501.355 2.795 50 40 KFGB CCOC(=O)[C@]1(C)C(C(=O)C(=O)NNC(=O)c2ccc(OC)cc2)=C(Nc2ccccc2)C(=O)N1c1ccccc1 100251425 LBNZPUZBWTYJRG-PMERELPUSA-N 556.575 2.760 50 40 KFGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408678435 FMTBEMFRBJUVCO-JIKSBOAXSA-N 557.990 2.925 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl 408682991 MDWQJLDJOGZDFS-LFYJYPCRSA-N 562.642 2.908 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409119550 UIPVLKOIZYHHGM-LQKURTRISA-N 571.608 2.853 50 40 KFGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408781833 FDWKDCPPIUCDOM-WYPBMRBISA-N 540.667 2.599 50 40 KFGB O=C(COc1cccc(Br)c1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3320064 MTEUAUSMOFRRRM-UHFFFAOYSA-N 510.410 2.854 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2C(F)(F)F)c1CN1CCCc2ccccc21 25783905 IWKJDMCTDLGQIK-NVJOKUIPSA-N 511.468 2.968 50 40 KFGB C=CCc1ccc(O[C@@H]2O[C@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1505840572 CDOLSFKADCZMEU-YMQHIKHWSA-N 532.327 2.749 50 40 KFGB CCOC(=O)COc1ccccc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549392 XPFCLDUXIJNINE-BAWRWLFMSA-N 554.625 2.514 50 40 KFGB COc1cc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)cc([N+](=O)[O-])c2)ccc1O 9871358 PKWQQAOIWTVUSV-AAGZUKFUSA-N 507.459 2.551 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 28213017 OSCDGWUYJVAGQE-WGOQTCKBSA-N 510.572 2.629 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 100308877 BGZRQVLDJVYQGH-MKWQWOMNSA-N 532.597 2.769 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1Cl 408857721 LZIRDMJBMMDDAM-UVHMKAGCSA-N 533.006 2.853 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(I)c1OCC(N)=O 409014635 NMQCJXFFBSSHKE-KYEFCJKTSA-N 670.417 2.665 50 40 KFGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1cc(O)cc(O)c1 12411384 ZUKFYYGDSLMVIU-ZVHZXABRSA-N 521.617 2.790 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)cc1 408675745 CBASNRIPEGISLA-BXLNKUBBSA-N 548.615 2.600 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1C 408691229 YXJGKDNUVWZYCS-XGUBFFRZSA-N 530.213 2.707 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1F 408781101 AAZHKMDXBOWZSQ-KSEXSDGBSA-N 523.340 2.749 50 40 KFGB Cc1oc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1Br 409026902 FNWYVFKMSCIECR-QGMBQPNBSA-N 540.177 2.871 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)NCc1ccccc1 409150293 BEZJKCLYKQEVBW-HNSNBQBZSA-N 562.623 2.607 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409378447 PHELNOCZXSNEOG-JWQCQUIFSA-N 575.574 2.949 50 40 KFGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccc(CN2CCOCC2)cc1 100620313 LTNHYXCZCIWQKD-WXGDAXOSSA-N 568.678 2.879 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)Cc2ccccc2)cc1 408885130 XASANFANKNOXOD-HNSNBQBZSA-N 630.683 2.834 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(I)c1)S(C)(=O)=O 408926963 WUZWQJUMFANYOW-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409170882 WYSKRVATFLZDKC-JLHUVHHFSA-N 608.433 2.679 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408768224 CYRZVYDLOITCDL-WPWMEQJKSA-N 548.581 2.738 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409260655 UEJKMFIDKXZAEG-JFWKYIDNSA-N 523.373 2.765 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@H]1c1cccc(Br)c1 409310842 WYQONQPVSNVEEY-MSOLQXFVSA-N 504.362 2.829 50 40 KFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 100147881 MMRATEIHWDYRIV-KEBDBYFISA-N 519.215 2.991 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(OC)c1 408945133 KFIVHLHORLUCHM-NRFANRHFSA-N 533.006 2.939 50 40 KFGB COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N\NC(N)=O)C(=O)Nc1ccc(Cl)cc1 17211582 IALRHWGGNCMHPW-ZAPCAXGOSA-N 505.318 2.637 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 408944076 IGBUSLSYVBHGER-QHCPKHFHSA-N 542.614 2.597 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409318733 XRQKKVZNXIEIOK-OALUTQOASA-N 522.421 2.941 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344131 VIKCKJOCZSZPNA-CVKSISIWSA-N 529.571 2.772 50 40 KFGB C[C@@]1(CBr)Cn2c(nc(=O)c3c2NC(=O)[C@]3(NC(=O)c2ccccc2)C(F)(F)F)S1 12402483 YKTBIVFENMCUDI-SJORKVTESA-N 503.300 2.642 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 408849835 ZSDIEWUUVOWWKW-XYCMHOAJSA-N 538.022 2.984 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(C)c2)c(OC)c1 408958609 ZLOOYKRHZWQTQY-XGVLDKRDSA-N 510.547 2.732 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)N1CCOCC1 409166067 CCNAWCLBFRTZRJ-JFLMPSFJSA-N 608.433 2.579 50 40 KFGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409256455 LIXFSOGMQMFBSO-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408778766 KBCIHHPTRCFKJB-CTZOFECYSA-N 583.736 2.747 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408872510 FOQCLKWPKOSTLP-JVWAILMASA-N 525.583 2.901 50 40 KFGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408924095 NVMFVCCFZCFGIA-HIWKEIFESA-N 522.558 2.980 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409310046 POVNGKCOHHCLFP-RTBURBONSA-N 534.388 2.838 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408680681 DQCKPMHJQWMUCJ-TVFCKZIOSA-N 602.276 2.903 50 40 KFGB CCCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 408685505 LJKIWKGCXPZVRP-SFHVURJKSA-N 516.348 2.608 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1 408853405 OKEKDNLRZMZMEP-PGMHBOJBSA-N 514.538 2.977 50 40 KFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408906454 JLWYADNIPLEQCU-FQIOEHTJSA-N 522.352 2.729 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c(OC)c1 408948713 DGOSSEPCHDWULR-HIHCNUKRSA-N 606.386 2.792 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409315157 NMELSJGXAUTFIP-RTWAWAEBSA-N 509.540 2.591 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 1529547199 JNWOLFIRDFYIAF-KNMNCLCNSA-N 547.977 2.839 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)CC1 9381769 DIAYXDLSYLSJAA-UHFFFAOYSA-N 507.569 2.655 50 40 KFGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 20213811 DLDPNNBMAMXIIF-WGOQTCKBSA-N 500.621 2.611 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 58881970 CGBPMHFHRAYWEH-LQKURTRISA-N 518.526 2.978 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 100295694 NBRXTCQDVKRWCE-OCSSWDANSA-N 534.569 2.539 50 40 KFGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408784648 VPGFZYRKYBVMGQ-ROTLSHHCSA-N 509.371 2.831 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c(OC)c1 408923738 LJCHNUUKHCHVPW-BKAOESSVSA-N 505.531 2.517 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c(=O)c1C#N 409008108 UAQSPDOSUNCPFA-AMVVHIIESA-N 531.569 2.660 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409169121 OWUOTJREBIDJGN-BTIIEKFUSA-N 570.359 2.821 50 40 KFGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1OC 409312378 KTPXBTKKWXOSSI-MYKKPKGFSA-N 541.342 2.725 50 40 KFGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688490 WXQLFLJHQWBZQB-NZJUZQPCSA-N 557.990 2.925 50 40 KFGB CCn1nc(C(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c2ccccc2c1=O 3533756 PWLKAIOLZUXBFA-UHFFFAOYSA-N 503.490 2.648 50 40 KFGB O=C(CSCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 13146358 XQTQIQDKGRQLSD-UHFFFAOYSA-N 525.052 2.648 50 40 KFGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(I)c1OCc1ccc(F)cc1 408971579 JJKPZNHXQQWNAM-NUGSKGIGSA-N 541.346 3.144 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 2104587 XRMAYSDANCORFU-BUROATRISA-N 525.609 2.788 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408690197 UFJHSWSLLSATCD-RTBURBONSA-N 526.343 2.523 50 40 KFGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccccc2)c1 409377730 JIGZQGCBNLBKOD-FGZHOGPDSA-N 504.495 2.600 50 40 KFGB C#CCOc1cccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 408950952 SSIQYHOBIMLKFX-XMMPIXPASA-N 506.584 2.584 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 59888165 TUBARKPKVIVVDB-KIBLKLHPSA-N 521.901 2.827 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)c(OC)c1 408922697 GMNFEHHSHUWXDO-IRSOAJISSA-N 553.616 2.967 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409115803 KSHHGAMSAAHWDM-XODNFHPESA-N 590.014 2.775 50 40 KFGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCC(=O)OC 409232899 CEPNQAXBDQSALU-LSFURLLWSA-N 558.398 2.891 50 40 KFGB CCN(CC)c1ccc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)oc2c1 922654 KZAUIMRKMCKORD-UHFFFAOYSA-N 526.615 2.889 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408684723 KKNYSCBTGLZAFD-KYLYOXHESA-N 556.251 2.952 50 40 KFGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1 409310749 WINQFOQGEVBIKS-ROUUACIJSA-N 510.410 2.797 50 40 KFGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409381800 JSQLKBLQWCABPZ-MZJWZYIUSA-N 527.375 2.764 50 40 KFGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2OC)c1 3117112 OLHRANXYUAJFFA-XODNFHPESA-N 505.483 2.532 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1 19954987 DVXNOBZHDVPPRP-KGENOOAVSA-N 515.373 2.996 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408683816 IXCBTZFGMSHBCV-ZOPNZNLOSA-N 572.250 2.735 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)cc2)cc1 408837313 CBBPKKRUCGGOJO-LQKURTRISA-N 570.624 2.646 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1 408874150 ZFFUNWAKONHQEF-QDTIIGTASA-N 501.421 2.642 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1 408923628 JUYRLKMJZAIGEO-HIWKEIFESA-N 522.558 2.980 50 40 KFGB N#CC1=C(N)n2c(s/c(=C\c3cc(Br)ccc3O)c2=O)=C(C#N)[C@@H]1c1cc(Br)ccc1O 101660003 JEVZVNWWWPIYHH-IYJJQHJPSA-N 572.238 2.797 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1 408675747 CBASNRIPEGISLA-IHXMYUSMSA-N 548.615 2.600 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c(=O)c1C#N 409006918 LHSUECBORKLCLM-CPDSRJINSA-N 531.569 2.660 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409150230 AYLTWXXMJRUDHF-JLHUVHHFSA-N 561.433 2.837 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(C)=O)c(OCC)c1 1529548377 DZDDWBBNRKFLSJ-STCIDUQHSA-N 554.625 2.896 50 40 KFGB CCCOc1ccccc1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21 25783804 BCHHWPZMWFPLBE-DICXZTSXSA-N 501.551 2.738 50 40 KFGB CCn1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 103039493 MQDCQNLENNIOLX-UHFFFAOYSA-N 558.010 2.631 50 40 KFGB CCOC(=O)[C@@H]1C(=O)C(CN(CCCl)CCCl)C(=O)[C@H](C(=O)OCC)C1c1cc(OC)c(OC)c(OC)c1 104154725 GTCNZQGJCQXCFS-LYEIGVQKSA-N 576.470 2.702 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1 408979729 OGDSLAMTORRHMF-MFKUBSTISA-N 509.544 2.894 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1 409173537 JOGIFIWDPUVIJC-REMUQMNCSA-N 552.369 2.682 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Br)o1 1529544854 QVTUYCLLORHOQZ-LGWXCPLXSA-N 521.393 2.927 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1 100362498 FWHYAYQEELDEBP-NDZAJKAJSA-N 545.596 2.520 50 40 KFGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc1 408538220 ZGXWIMYNJZFQAF-ZQSQTYPDSA-N 501.543 2.846 50 40 KFGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408817933 WSCQAHZSJXKCEW-MBTHVWNTSA-N 505.531 2.639 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409263101 LOYHEDIIGIPETR-SIQOIFSASA-N 502.955 2.502 50 40 KFGB COc1ccc(C(=O)NN2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1OC 9591423 IDDXCEUSFMUQIF-VQIMIIECSA-N 506.914 2.760 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cc(C)ccc2C)cc1 28212955 QNMSGHQAWRLIFB-RWPZCVJISA-N 508.600 2.822 50 40 KFGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NNC1=c2cc(Br)ccc2=NC1=O 59856741 QQZIJOYFNKLGPG-UHFFFAOYSA-N 582.263 2.540 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59857136 IZQDQVQFFPCLBO-MFKUBSTISA-N 528.543 2.966 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1c(C)cccc1C 409151824 CGCVNWXEEHJKJC-OPEKNORGSA-N 564.380 2.663 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3165859 QJGPWPKPCXNDTC-LQKURTRISA-N 547.593 2.559 50 40 KFGB Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C/C(=N/NC(=O)CC#N)C(=O)Nc1ccccc1C(F)(F)F)c(C)[n+]2[O-] 5722556 MRFLFIXNYCTIQR-MNBJERMJSA-N 542.474 2.648 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1OC 13381854 SNVMXCVLPZGDQE-MFKUBSTISA-N 512.544 2.953 50 40 KFGB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 102994768 FWHFUOLPYARUDS-BGYRXZFFSA-N 564.542 2.609 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])Cc2ccccc2)c1 409372988 UVLGZGGIYNZPKH-MYYYXRDXSA-N 512.544 2.953 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc2c(c1)OCO2 59490209 RBSWSUTWQAMDKO-LGJNPRDNSA-N 513.503 2.671 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1O 100948215 GNSVBPHOOYJSPZ-OGLMXYFKSA-N 549.609 2.544 50 40 KFGB CC(C)COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584757 XKTGMLNYLRWPEB-BOBZGOHDSA-N 584.720 2.936 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409167496 IQRNVRNZUCFTEU-WMGMBDKSSA-N 659.275 2.825 50 40 KFGB Cc1sc2nc(CC(=O)NNC(=O)c3cc(Cl)cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)[nH]c(=O)c2c1C 150453663 UHNISJGYLJZOGR-UHFFFAOYSA-N 656.146 2.857 50 40 KFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 103896906 ZPWWAXAEOLDPGG-NDZAJKAJSA-N 536.654 2.903 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408689866 STSVZVLNRGBKAW-TUVASFSCSA-N 530.213 2.707 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409271254 SYGZUXQLCOXAEP-SQWMEXMHSA-N 510.591 2.773 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Br)cc1 409379582 XYMLMFBKLJCLSF-WOJBJXKFSA-N 555.337 2.746 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 1529547715 OJHXFCNQJGEBHI-RCKHJMGGSA-N 605.467 2.798 50 40 KFGB COc1cc(C(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1I 409015611 SRGHMANHXSDSGC-MTJSOVHGSA-N 510.288 2.809 50 40 KFGB CCc1ccc(O[C@@H]2O[C@@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 12659778 KRZYBMJVFWZNJJ-PXTPFGJHSA-N 520.316 2.583 50 40 KFGB biogenic CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 408603782 HBDIBCKFKLXRBK-UVHMKAGCSA-N 549.422 2.695 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408680707 DSKVRHYFPUSJDQ-PSWKNJSVSA-N 542.224 2.645 50 40 KFGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408681436 JLIFZPASBHQAPU-PCLDUBMHSA-N 551.599 2.908 50 40 KFGB CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(OCC)cc2)C(C)C)C(C)C)cc1 14139533 CLJHMKAKZFDEKN-ZEQRLZLVSA-N 526.634 2.840 50 40 KFGB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 150450906 WIZAYWZQSFILNZ-UHFFFAOYSA-N 629.500 2.695 50 40 KFGB COc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)NCc3ccccc3)CC2=O)cc1 408603883 HIQLLDJRYAJVMC-HXUWFJFHSA-N 518.570 2.895 50 40 KFGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409375794 PIPFGEXZIMNKRK-MSXFZWOLSA-N 510.772 2.869 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(I)o1 1529544833 PJHOXLRXCXQKHS-LCLGRWFKSA-N 568.393 2.769 50 40 KFGB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1 9381944 SUIYHIQNMWWFIA-UHFFFAOYSA-N 500.549 2.615 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1OC 408860763 DOLCDNPAEDJZNN-MTDXEUNCSA-N 583.623 2.794 50 40 KFGB C#CCn1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c2ccccc21 408923696 KFIPFTSPODWWPO-WZAVBVGXSA-N 529.553 2.613 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 408948701 DDKAILQEHQQMHG-RNBGMOGSSA-N 606.386 2.792 50 40 KFGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1O 409335356 WDABAJOVTRJVSJ-SSDVNMTOSA-N 504.366 3.350 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2O)c1CSc1ccccc1 1875775 HDNLYBACAHMNAZ-LSFURLLWSA-N 515.353 2.757 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770114 PZMPXCHYZLZUIT-IRLDBZIGSA-N 534.594 2.530 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc(Br)c1OCc1cccc(Cl)c1 97966607 VTBOAGBMGCTLSH-XKJRVUDJSA-N 646.890 2.832 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408858238 NTELBSMUWVWCKP-LQKURTRISA-N 568.608 2.551 50 40 KFGB CCOc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)c(Br)cc1OC(C)=O 408975618 BICSINMUADAICE-SSDVNMTOSA-N 519.381 2.991 50 40 KFGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)NCc1ccccc1 409254236 HYKSWPIRBZGDOG-AMVVHIIESA-N 522.945 2.530 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 19945543 DOCYOKGBKSEYSO-UHFFFAOYSA-N 523.999 2.958 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70705978 NQQTYPVPNXLGIQ-UPITVEGHSA-N 547.601 2.821 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 100830902 MJGJZGALWAAPMR-KOEQRZSOSA-N 536.496 2.752 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408684722 KKNYSCBTGLZAFD-APYLFXSRSA-N 556.251 2.952 50 40 KFGB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 408688264 QIHXVDNRJOTTHD-VOBQZIQPSA-N 542.386 2.993 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409117256 XEJUHCHBKLIICH-VULFUBBASA-N 517.535 2.903 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OC)c1 1529544464 IGHMNKMKWNUWRS-LBWPQLDNSA-N 512.588 2.589 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(OC)c1 408923775 LXQNRFJTWBNNGZ-MDHATTPZSA-N 505.531 2.897 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1O 408986390 CAMNGHWISWIDAV-SPYDPLLYSA-N 516.352 2.874 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1 1529548610 JZCDJHQPGYSUPI-MWQQKMCLSA-N 570.624 2.514 50 40 KFGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c1[N+](=O)[O-] 3081809 MJQZITPADPUTRI-DNTJNYDQSA-N 511.241 2.729 50 40 KFGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccccc3)cccc2OC)cc1 408611054 PRJKIYVQIRUPKN-STBIYBPSSA-N 504.543 2.878 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408885029 WMYFHLYZIHEOFD-OEAKJJBVSA-N 513.488 2.857 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409152711 GDKCTVRBFQYERT-BRJLIKDPSA-N 564.380 2.745 50 40 KFGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1C(Cl)[C@@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 13404312 RGVQYTFOJGDTOK-ROUUACIJSA-N 510.934 2.758 50 40 KFGB biogenic CCc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408688258 QIGPRBFTHXNNGT-PKYINEEHSA-N 556.251 2.897 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OC 409249418 IDANDTCQOZGBCI-STBIYBPSSA-N 504.543 2.530 50 40 KFGB COc1ccc(/C(C)=N\NC(=O)c2nc[nH]c2C(=O)N/N=C(\C)c2ccc(OC)cc2OC)c(OC)c1 8384529 ZWZFOIXZMKCGRO-UCVGCXKCSA-N 508.535 2.752 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408611268 VPMINXGUVCYRPM-UVHMKAGCSA-N 549.422 2.695 50 40 KFGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 408831928 WFHMWIDGYXIVDC-UVHMKAGCSA-N 533.006 2.853 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccccc2)cc1OC 409128702 GLUJANHWOXJKTC-WGOQTCKBSA-N 511.556 2.975 50 40 KFGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409381064 RIBKITKTXDJOMW-MSXFZWOLSA-N 510.772 2.869 50 40 KFGB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 3273615 HZRPLOKZDISQBG-UHFFFAOYSA-N 512.975 2.872 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 6073816 QJHMJRKGSKEGSU-WPWMEQJKSA-N 522.583 2.727 50 40 KFGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c(=O)n(-c2ccccc2)n1C 26688115 BJOYXZKQTBZPEZ-NBVRZTHBSA-N 503.540 2.938 50 40 KFGB CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1 27461323 MSERQXQDISNBLV-LANDMKISSA-N 500.508 2.653 50 40 KFGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 102993857 YOFTYPHZHVLFBB-HSZRJFAPSA-N 625.136 2.935 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC(=O)O)cc1Br 1529546879 HYNOYAQQRWLWBT-OJESDODKSA-N 635.493 2.806 50 40 KFGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 1529549255 WWAPTHVVYAZCHO-BCFKDBPXSA-N 584.651 2.522 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 8691657 DFSICQVPFWZDFN-XQBJUFAKSA-N 543.208 2.589 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 408730557 HYLHPMHAPUNELM-MTDXEUNCSA-N 539.610 2.859 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C)c1 409268190 RIGBGVWMRMPPPQ-FJEPWZHXSA-N 532.553 2.906 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529546217 DONYGBLKKKCVSK-CYUILNSLSA-N 506.584 2.584 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)c1C 20060758 FXFYUXUSYMKYON-STBIYBPSSA-N 522.627 2.915 50 40 KFGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc(Br)c1OCC 98087307 HJZDDSPPRWQIHE-OPEKNORGSA-N 505.369 2.885 50 40 KFGB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 408648741 YYIBPKPIOJWPGR-UHFFFAOYSA-N 512.744 2.834 50 40 KFGB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]12 408678600 BSFBLIZOJUMEMH-YFZFPPMRSA-N 540.370 2.769 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408683890 NRGHUIDUSPYSEG-LATRNWQMSA-N 540.370 2.603 50 40 KFGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)o1 408721045 IVTIMYNMKUSRHW-OPEKNORGSA-N 502.447 2.996 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1O 408755669 SAZNACPFCYRNMS-NMONLQQWSA-N 545.399 2.767 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 1851983 HNWSSCVPFVIIDT-OEAKJJBVSA-N 513.488 2.857 50 40 KFGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408841072 ITMZZJKPSFDWOJ-RQFMOZSRSA-N 621.535 2.672 50 40 KFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 408995195 LBFBKKOAYKDGSS-UUYOSTAYSA-N 524.315 2.561 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409151437 GVPQEXIKMRYUFO-OPEKNORGSA-N 505.369 2.678 50 40 KFGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)c1OCc1ccccc1 100903656 RCGMZQWZLPLIRC-RWPZCVJISA-N 531.577 2.570 50 40 KFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408609928 SOJBQKMHJRXKRS-UVHMKAGCSA-N 549.422 2.695 50 40 KFGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)NC[C@@H]1CCCO1 408735100 NWNANJAWHKOSSC-INJWIWPUSA-N 524.096 2.804 50 40 KFGB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)OCC(=O)c1ccccc1 104245889 LSXCXWSRXHPUFM-PWTXATHPSA-N 513.182 2.581 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCC)c(OC)c1 408947458 AXTGAZXUNOGRQK-SIMLIIDHSA-N 510.547 2.814 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2OC)cc1 409024989 OXNMJJSDBJCILY-MTDXEUNCSA-N 583.623 2.794 50 40 KFGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(N)=O)c(OC)c2)cc1 409221745 AFSDDSYLFOHMDB-NTUHNPAUSA-N 507.284 2.718 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409250623 NFPUWNROPZNQFF-XDWZDTHNSA-N 517.380 2.520 50 40 KFGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(=O)OC)cc3)[C@H](C(=O)OC)C(=O)N2)cc1 409317708 RVIXAUIWARSWCV-YADHBBJMSA-N 523.567 2.982 50 40 KFGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)cc1 12616936 BHGQGPFHZCQSMW-UHFFFAOYSA-N 501.499 2.810 50 40 KFGB COc1cc(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2C)ccc1OCC(N)=O 103255371 VBESHWXURVLXGI-VFLNYLIXSA-N 533.614 2.696 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OCC)c1 408602552 DRCYXBUCFQUBGA-DHRITJCHSA-N 503.353 2.618 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408681602 FPPJTSWSLBPAON-DSTKKHMDSA-N 542.224 2.643 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]21 408690552 VVSMRARFLUPKRS-UHVFKWDWSA-N 552.381 2.769 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2C)c(OC)c1 408949692 FWSJHFOUKDCPOR-GLYQIKNISA-N 510.547 2.732 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409152116 JNYTVOSBRMTQPL-YSURURNPSA-N 570.771 2.699 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)c1 13942525 KOCRHOJVLGSJKB-JVWAILMASA-N 524.599 2.937 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2)cc1OC 59444262 QKSUKKQFRPCKPB-CVKSISIWSA-N 511.556 2.743 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)c1 408684034 JFMCFHJBUKWIBC-NPIBYDKASA-N 556.251 2.952 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408686088 RZVQRURZYJIAOM-LVNJIZSUSA-N 540.370 2.603 50 40 KFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409026456 PSXBVMUNIAXRQL-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OC 409317748 SBYARGNDEOEDGO-YVNNLAQVSA-N 528.299 2.934 50 40 KFGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1C(Cl)[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 100365851 RGVQYTFOJGDTOK-DFNIBXOVSA-N 510.934 2.758 50 40 KFGB Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C/C(=N\NC(=O)CC#N)C(=O)Nc1ccccc1C(F)(F)F)c(C)[n+]2[O-] 104286407 MRFLFIXNYCTIQR-FDAWAROLSA-N 542.474 2.648 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(OC)c1 408942045 FHJOOGCLUBXBAQ-ZGVXQSDHSA-N 591.415 2.892 50 40 KFGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 409004913 YHQQMUNXCKCODX-OUMHCNLISA-N 509.519 2.941 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025861 YVJAIKKVKREJFU-STBIYBPSSA-N 585.635 3.000 50 40 KFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@@H]3CCCO3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409323011 MCQCDXLSIRCCGL-VHKYSDTDSA-N 507.996 2.505 50 40 KFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 20208428 IKCNSCQKCNBLPW-WGOQTCKBSA-N 500.621 2.611 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccccc1Cl 408691231 YYFABAKTPZGFSN-CVQXOBEKSA-N 543.963 2.536 50 40 KFGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409267571 OBDGMTRJJVATJP-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/[C@H]1C(=O)N(c2ccccc2)N=C1C 1529544653 KXKWCHOAESWIQW-MGFVABRBSA-N 548.625 2.562 50 40 KFGB CCOC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 5707238 RRQJCRFCWPLMKD-RTWAWAEBSA-N 593.680 2.722 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408860335 YZJRKSIWEBPXGS-DMGSHAKESA-N 580.663 2.715 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409271253 SYGZUXQLCOXAEP-RBOCJAQVSA-N 510.591 2.773 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 1529547635 MSLBKWCASGAWFQ-STXUSEJVSA-N 682.493 2.648 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529547974 TWDYBJAUPYVHTF-HHSRISMTSA-N 554.625 2.514 50 40 KFGB CCOC(=O)NN(C(=O)OCC)C(=C(c1ccccc1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC 73406918 OFPTYUHCSCUONK-UHFFFAOYSA-N 537.570 2.884 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2c(F)cccc2Cl)c(OC)c1 408611668 RNKVELVSOYXVIB-LIMNOBDPSA-N 519.698 2.867 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)cc2)cc1 408863125 LGQUTMVZINISBY-WTAXBKJTSA-N 691.788 2.927 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)O)c(I)c1 408940436 CKZBMEHXFPGGFV-HSZRJFAPSA-N 652.467 2.640 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(F)cc2)cc1OC 409110320 BPMKWURZNZMTQO-VULFUBBASA-N 515.519 2.887 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409255936 MKJLYEZEJDKMAK-BTIIEKFUSA-N 523.359 2.979 50 40 KFGB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018262 JVKZJBDZGOCTDM-AOMKIAJQSA-N 566.527 2.694 50 40 KFGB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 4775736 WCPKITGDIAWXQN-LXGFNABISA-N 503.445 2.840 50 40 KFGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)nnn1-c1nonc1N 97966653 WJPJDYUGBAZCOK-XODNFHPESA-N 567.994 2.719 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102440489 NIRQGEUXXKELRE-XODNFHPESA-N 621.571 2.846 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C(C#N)C=CN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 103873385 WPJSCVOHMKPYEI-UVUJQTEASA-N 515.438 2.530 50 40 KFGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584741 ZGZZJJWMCONUBN-FTJHDQQKSA-N 570.693 2.690 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)NNC(=O)c1ccccc1Cl 408691232 YYFABAKTPZGFSN-HDLCADABSA-N 543.963 2.536 50 40 KFGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1Br 408827800 GYYGUXQEOZGTQE-QMFOPCRCSA-N 634.578 2.729 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 408861725 CEGNDKVCKXBYOQ-UXHLAJHPSA-N 601.081 2.932 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409194956 NQFULHMJCBBOSM-NVJOKUIPSA-N 520.502 2.819 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1F 409269387 INLCCVZQADEVKV-XODNFHPESA-N 522.961 2.887 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)c1 59472862 HGFKKGISEISJJH-JVWAILMASA-N 525.583 2.901 50 40 KFGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1C 97940270 FEIWFNILCWUEAQ-UHFFFAOYSA-N 580.686 2.913 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 98001231 ADZVETNFGYHPAJ-CCVNUDIWSA-N 536.497 2.720 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408681113 FCUAZWBMTGLTOJ-VFWXMPKHSA-N 562.642 2.988 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1 408824375 IDXQDVAYQUUHJU-PGMHBOJBSA-N 574.590 2.994 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c(OC)c1 408957078 SEQDMSLYEWXFFQ-GDWXBDPWSA-N 606.386 2.792 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409316608 ZQWRUNMZNNUEOO-ROUUACIJSA-N 508.394 2.551 50 40 KFGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1)c1ccc(Cl)cc1 409382806 PABPXQYZHXICDX-ROUUACIJSA-N 535.292 2.883 50 40 KFGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)COc2ccccc2)C(C)C)cc1 6190709 WAJYIFVIQGWFER-RUZDIDTESA-N 518.570 2.928 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OCC)c1 408940627 CQRSITBVVVJVKQ-DEOSSOPVSA-N 526.615 2.979 50 40 KFGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409269069 DNRJKLQORJNCDS-WKULSOCRSA-N 518.526 2.598 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)c1 409185571 MQXVYYMAENFOJZ-LQKURTRISA-N 554.625 2.946 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)NCc1ccccc1 409254933 GIQTYVMGKSKKFE-STBIYBPSSA-N 504.543 2.878 50 40 KFGB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018264 JVKZJBDZGOCTDM-KSFYIVLOSA-N 566.527 2.694 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409246084 DQTXZQDDSAJDLS-LSFURLLWSA-N 558.398 2.891 50 40 KFGB COc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc(OC)c1OC 2615908 SBIXDXXWAZCFNA-UHFFFAOYSA-N 523.951 2.512 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 28212994 UCLWRIKYJVVJCT-RWPZCVJISA-N 524.599 2.522 50 40 KFGB CCOc1ccc(/C(C)=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408777114 VMFALMNJTBDHLE-DPZDUBCVSA-N 570.693 2.690 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 408970864 LKKLESRJOXTNQN-YZSQISJMSA-N 517.604 2.828 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC 409251963 ARCRQCOUCRPMEM-OCSSWDANSA-N 518.570 2.839 50 40 KFGB CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc2ccc(Cl)cc2)O[C@H]1CI 70670128 JYQSZRQLYLAOEK-IGKNDFSCSA-N 526.707 2.674 50 40 KFGB biogenic COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408677521 ATCDHIZATWQPDX-MCVDSYQYSA-N 592.668 2.997 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c(OC)c1 408924047 NBARBXBEMJEYLA-JZSFTFOTSA-N 544.948 2.797 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 408873142 NOCPNJALKFGWAC-MFKUBSTISA-N 507.012 2.648 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(F)cc1 409269978 MZPWYVKGZXAOAI-KBKYJPHKSA-N 517.311 2.965 50 40 KFGB Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 2520779 DUPDJWDDRMPXDD-JFLMPSFJSA-N 501.551 2.561 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1C 28213191 APZPTKQLRSRNLL-STBIYBPSSA-N 522.627 2.915 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)O 230018449 BGYZZUPIXBTHQV-RIPULBCXSA-N 568.664 2.640 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409155598 LURMSYIJIKFZPW-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(I)o1 1529544834 PJHOXLRXCXQKHS-LGWXCPLXSA-N 568.393 2.769 50 40 KFGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 9233050 UGKRBQKIKGLOFZ-IPPBACCNSA-N 502.527 2.816 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408682027 FWOTXRCLVLIMBK-PSWKNJSVSA-N 556.251 2.953 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 408831549 VZOSQSFUIAADEP-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409325021 WPZSNUVSQUULED-ZWKOTPCHSA-N 510.410 2.701 50 40 KFGB CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)c3ccccc3OCCOc3ccccc3)ccc21 13096867 PKZLEKVEHKHXOR-UHFFFAOYSA-N 509.584 2.931 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](CS)C(=O)O 103517844 WOSYRGZUEPPFDW-SFZTYLFDSA-N 600.731 2.548 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408691443 ZWMDBMYMTMHDIM-FZKCQIBNSA-N 530.213 2.653 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(I)cc1)S(C)(=O)=O 408773739 XAIYWNSPQYMCIR-KGENOOAVSA-N 515.373 2.915 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409169552 QUBUFBONSZOLLO-UVHMKAGCSA-N 537.386 2.987 50 40 KFGB O=C(NN=C1CCCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 20214653 ONGJJGSTNATWHF-QHCPKHFHSA-N 518.661 2.577 50 40 KFGB COc1cccc(NC(=O)CC(=O)NNCC(=O)Nc2nnc(-c3ccc(N(CCC#N)S(=O)(=O)c4ccccc4)cc3)s2)c1 82190581 CMUDYEQEAKIOEB-UHFFFAOYSA-N 648.727 2.911 50 40 KFGB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]21 408678598 BSFBLIZOJUMEMH-XWRIVVANSA-N 540.370 2.769 50 40 KFGB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]2C1 408688265 QIHXVDNRJOTTHD-XMCHAPAWSA-N 542.386 2.993 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409169407 QJZFLRHLLNJLJD-OPEKNORGSA-N 505.369 2.678 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 408609613 KNJDOLMBSQKULQ-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408671228 YWVIWYYASIYYOL-UHFFFAOYSA-N 503.939 2.876 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(OC)c2)c(OC)c1 408952075 JUVXATFCGAXUDB-COWWJRFYSA-N 586.001 2.980 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377764 JTDNMJFNUSQGIU-DHIUTWEWSA-N 518.522 2.909 50 40 KFGB O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1 230290538 LDZDHSLEKGXHJA-VQJSHJPSSA-N 982.259 2.557 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]12 408683314 HTTHXOXPCVZYAU-NHRGSCSFSA-N 507.930 2.660 50 40 KFGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409387139 NUTRYGDOTLNOSB-FGZHOGPDSA-N 570.938 2.654 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc(Br)c1OCc1ccccc1C 2341797 IURZQWKMRKWVEF-KIBLKLHPSA-N 541.366 2.963 50 40 KFGB COc1ccc(Br)c(/C=N/NC(=O)C(=O)N/N=C/c2cc(OC)ccc2Br)c1 2747291 RTYZLQQVGFHDBS-VGENTYGXSA-N 512.158 2.829 50 40 KFGB O=C(CN1C(=O)/C(=N\NC(=O)C(=O)Nc2cccc(C(=O)O)c2)c2cc(Br)ccc21)Nc1ccccc1 3211469 SYYFRWBMGFBDCV-ANYBSYGZSA-N 564.352 2.592 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857134 IHXCIVBNNQXNGS-MFKUBSTISA-N 528.543 2.966 50 40 KFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 408833813 ZCOVUXMNZWOMKT-CJHIPLPSSA-N 538.626 2.695 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)cc1 408837467 GEGSYWKOWRIHLQ-NUJZUDFISA-N 530.541 2.740 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409132099 LDASKWRYBNFJDT-JFLMPSFJSA-N 529.546 2.975 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)c(OCC)c1 1529544739 NENXDWRZSRNNSQ-LBWPQLDNSA-N 512.588 2.676 50 40 KFGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cccc2OC)cc1 408611893 XLFZZTNVQGXPFK-FJEPWZHXSA-N 548.552 2.607 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccc(Br)cc1 408688511 XDFYOJNWOLGVPL-TXFWVUOCSA-N 588.414 2.646 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1 409028740 QYRIZDLIWICNQU-CVKSISIWSA-N 539.570 2.837 50 40 KFGB COC(=O)[C@@H](/C(=N/NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC)c1nc2ccc(Cl)cc2[nH]c1=O 5724018 ZDYDZLAMGKYVRL-MBLAXXOVSA-N 548.943 2.661 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 97960497 VKRYKLMDSRJARN-VULFUBBASA-N 527.555 2.787 50 40 KFGB CC(C)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 165342285 HYSPJPGXSALJRR-JTSJOTPCSA-N 737.767 2.808 50 40 KFGB O=C(N/N=C/c1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253565683 IADMXXKEPVTSSF-NWJFTTBMSA-N 547.058 2.554 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1C 408681021 IUBKIJNKTMLKDE-WITHRNOMSA-N 542.224 2.563 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OC)c1 408950294 RXBWAQVKZAKWJG-DEOSSOPVSA-N 605.069 2.785 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409158758 LOTZAGRXSPXBRS-DSKMXOTJSA-N 582.395 2.691 50 40 KFGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409382843 RYJVDKMMZZOCTL-FGZHOGPDSA-N 549.492 2.508 50 40 KFGB COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 2135860 QMKRVVODMKCJGJ-UHFFFAOYSA-N 502.774 2.591 50 40 KFGB O=C(CN1C(=O)/C(=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c2ccccc21)Nc1ccccc1 100511476 XDRDMFIJRJRDRJ-SGWCAAJKSA-N 520.343 2.893 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c(OC)c1 408872392 MLSJVAMVYSRYCM-NVJOKUIPSA-N 562.366 2.947 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1O 409377650 JSINLLJBZMKOTG-UXHICEINSA-N 561.330 2.996 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OC(C)=O 409380049 GLBJRLQUDQWTDD-FTJBHMTQSA-N 687.010 2.505 50 40 KFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 8819643 RNLUFLDAEXFCGY-ZDLGFXPLSA-N 514.541 2.766 50 40 KFGB O=c1c(S(=O)(=O)c2ccccc2)cn(C[C@@H](Br)CBr)c(=O)n1-c1ccccc1 101411981 VFKMLBSEWKWJGB-AWEZNQCLSA-N 528.222 2.990 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408882894 PISZNAVKCKSFEQ-CCVNUDIWSA-N 545.017 2.867 50 40 KFGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cccc2OC)cc1 408610335 SZFJCWPKUPIUJS-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408862431 JJIUBUGZIVFECN-JVWAILMASA-N 525.583 2.901 50 40 KFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 408922767 SBTQWFXABYPTKR-XIJPWPHISA-N 512.382 2.881 50 40 KFGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409029206 ZNAJHOKUJUZVSC-CIAFOILYSA-N 515.373 2.995 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1O 103900820 QFNKFFNIAUXRPF-AWQFTUOYSA-N 535.214 2.842 50 40 KFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC 409026731 WILOGWJGDWKOLZ-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 28213389 SSSBEUFRJBJXJI-RPPGKUMJSA-N 514.526 2.525 50 40 KFGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100557648 ROIGSQZNJHPUNL-ODJDQKDNSA-N 527.209 2.889 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(C)c(OC)c2)c(OC)c1 408948556 CUHOKYGJFJQKQW-LIYRDEPISA-N 510.547 2.732 50 40 KFGB CCCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c2ccccc2c1=O 2618771 CEMCEOGUBAWTQP-UHFFFAOYSA-N 535.582 2.691 50 40 KFGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F 8691560 INXKFUXJUKWNRA-CVEARBPZSA-N 508.799 2.588 50 40 KFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1OC(=O)N1CCOCC1 9860953 XZJIQYHNWOUSCB-FQEVSTJZSA-N 517.498 2.863 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]12 408690550 VVSMRARFLUPKRS-MQYXYMALSA-N 552.381 2.769 50 40 KFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)cc1 408783271 LZVFOJCXQFIEIR-FMCGGJTJSA-N 519.377 2.918 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408989914 JJVYDJKURZCVPY-FMCGGJTJSA-N 507.341 2.727 50 40 KFGB N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)NC[C@H]1CCCO1 408734881 LBFLNRRNMHFOIY-LHJMJDNXSA-N 524.096 2.804 50 40 KFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1 408905624 BRJSZFDRXDUNLZ-YBNTXHARSA-N 583.379 2.961 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408684980 KQRNQBFVTMXNBE-KDAYCLEISA-N 562.642 2.988 50 40 KFGB Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)Cn3[nH]nnc3=N)cc2Br)cc1 408734890 GQYZBJJBTFYUHY-GZIVZEMBSA-N 523.189 2.648 50 40 KFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2OC)c1 409157702 QFAWIVMXIWHQCJ-STBIYBPSSA-N 504.543 2.530 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1 409175131 QISJEJNRQHQEBX-SIQOIFSASA-N 547.406 2.611 50 40 KFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409260538 RTNITCBAWZHVNV-MTYDYXEWSA-N 517.380 2.520 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303615 QWQAERHMJRIONI-ZCTHSVRISA-N 610.689 2.595 50 40 KFGB C#CCOc1c(I)cc(I)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 408733512 YRYGQYCTMDXPCH-SSDVNMTOSA-N 612.169 2.712 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102447886 GJLHAHPHDYWDMZ-UVHMKAGCSA-N 609.560 2.846 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408681114 FCUAZWBMTGLTOJ-XRQDQGIUSA-N 562.642 2.988 50 40 KFGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688491 WXQLFLJHQWBZQB-QIVAEQKXSA-N 557.990 2.925 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408691190 YTAXZNNCNUQYME-VMMLZTJMSA-N 570.234 2.537 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)c(I)c1 1529546309 FAPRFBPIQAOGHB-ZPBGBCLFSA-N 594.431 2.882 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 1529548229 ZIBMKQGZRRFADN-STXUSEJVSA-N 635.493 2.806 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 9056951 NTYAEOLWFUWCLB-JVWAILMASA-N 525.583 2.832 50 40 KFGB CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](SC#N)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 104076544 KNVWFCHBELVGHR-UWHLTILDSA-N 513.615 2.737 50 40 KFGB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 138951710 MLZAJKWHIOGUHH-SFHVURJKSA-N 516.392 2.931 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408536919 UBBUCUQIYVJXNP-PKOLSWDWSA-N 514.336 2.658 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408676388 DALGOXPSGIPQLN-MVXJNQHVSA-N 542.224 2.509 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)cc1 408678167 BKJLZYAUDMHAKP-PWTXATHPSA-N 562.642 2.990 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(O)c(OC)cc2Br)c(OC)c1 408926109 XOCBQLQQJWYRGJ-BMJWKCNQSA-N 591.415 2.892 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=C[C@H]1C(=O)N(c2ccccc2)N=C1C 408945503 KXKWCHOAESWIQW-YKSBVNFPSA-N 548.625 2.562 50 40 KFGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408945763 LLDXDPXMOXPODK-AREMUKBSSA-N 584.651 2.522 50 40 KFGB O=C(N/N=C/c1ccncc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408999329 QZGSJQGYNYBZPO-FBTHGLLTSA-N 534.379 2.726 50 40 KFGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2OC)cc1 409157809 RWVRYVWWZNMWAR-RFJLOWGHSA-N 608.433 2.625 50 40 KFGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2)ccc1Br 409270455 PSLSHAIAIVHDSX-XDWZDTHNSA-N 517.380 2.520 50 40 KFGB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccccc4)cc1)N(C)CC3)OCO2 20111494 VQVHVSZZHQATDA-YJGSSNSBSA-N 511.542 2.741 50 40 KFGB biogenic CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O 72332883 AZFUPQMDKQZSAV-CXMIPBCGSA-N 515.625 2.840 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccccc1Cl 408683969 NWHVDXREJLCGQW-HOWZHXDLSA-N 548.615 2.600 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408684721 KKNYSCBTGLZAFD-AKWOWTMHSA-N 556.251 2.952 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408691298 ZGFINJVJPIKQAA-NPIBYDKASA-N 556.251 2.952 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCC(=O)N1CCOCC1 409254739 JGGWLWLUVLYYHN-HUZSXYRPSA-N 573.444 2.589 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccccc1C 409255484 KXGHXWBBLFRXAT-BHGWPJFGSA-N 503.353 2.512 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2OC)c(OC)c1 408925033 RZRXNRRCZAPLCS-FXDWWMIYSA-N 516.938 2.687 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccccc1 409169328 PMAFKHXIVHQCDY-RPPGKUMJSA-N 576.347 2.677 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409266762 RHHLPEGEVKKMDK-NPLHSSQESA-N 523.373 2.765 50 40 KFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 408827506 JXCLWFLPRPSARW-ZMOGYAJESA-N 556.435 2.956 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 408866875 IZBWBXJRIAYFRS-VUTHCHCSSA-N 566.636 2.633 50 40 KFGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1OCC 409004181 WVTMLAOBUSAGHS-UPYABBRNSA-N 695.564 2.559 50 40 KFGB O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409339940 NAUMFYJCNTYPTQ-MUUNZHRXSA-N 595.747 2.519 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 1529547033 IGBUSLSYVBHGER-NJTCQAJUSA-N 542.614 2.597 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)c(OC)c1 408924010 MPSVPTRENMDWSN-OGCGYOKDSA-N 525.562 2.609 50 40 KFGB CCOC(=O)COc1cccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 408946923 NAHBIDSWPJBUFJ-RUZDIDTESA-N 554.625 2.514 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1C 409259988 IUAUYVIZWPALAE-HIDRHVPLSA-N 531.407 2.829 50 40 KFGB COC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](NC(=O)c2ccccc2Br)[C@@H](OC(=O)NCCCl)[C@H](OC(=O)NCCCl)C1 4221646 UZNLXSOKNHFUMM-XRXFAXGQSA-N 678.364 2.709 50 40 KFGB biogenic,in-vitro CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 28212987 SQTVFMCPXIGIBG-LQKURTRISA-N 524.599 2.603 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332653 XWJXDIRUOFVKBD-JVWAILMASA-N 553.553 2.860 50 40 KFGB O=C(N/N=C/c1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584635 IADMXXKEPVTSSF-OINMWHHXSA-N 547.058 2.554 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1OC 408601966 COKBRSDJERGDGB-KBVAKVRCSA-N 548.596 2.847 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408675482 AWWQWQKUTGBJAI-HPKFOSBRSA-N 542.224 2.563 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 408944075 IGBUSLSYVBHGER-HSZRJFAPSA-N 542.614 2.597 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c(OC)c1 408944908 JWPWEIXVMBIYCE-OAQYLSRUSA-N 624.457 2.890 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)N1CCOCC1 409172971 NFCSVAGTDLHLAX-MZJWZYIUSA-N 561.433 2.791 50 40 KFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(C)(=O)=O)cc1 59436961 UHVUGHGFPNKRJV-UMYHVIPVSA-N 514.398 2.780 50 40 KFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408866463 HNKYVTBRIMTSPJ-WKIKZPBSSA-N 511.922 2.594 50 40 KFGB COC(=O)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 409368806 NWKMVWXROPMFIA-YUMHPJSZSA-N 525.583 2.832 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1 1529548091 XIUBFYJDKJIHBY-JYJOXHSLSA-N 696.520 2.737 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20212185 OYLSJDHNXTZCDG-AFUMVMLFSA-N 505.593 2.640 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cc(Br)ccc1F 100858450 VNSXCMRDGDIZLR-FMCGGJTJSA-N 562.259 2.807 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408679521 CPDBTESKWAHWFO-OTQTYKSKSA-N 600.260 2.511 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 39986626 PTRVJOHQDRBZFS-IMRQLAEWSA-N 509.584 2.622 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cc(Br)cc(Br)c3O)CC2)cc1 100858592 AADWDQWLKYJROE-FMCGGJTJSA-N 574.295 2.682 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC(=O)OC)cc1Br 408952509 WEQOHOUQKQALMB-VWLOTQADSA-N 649.520 2.895 50 40 KFGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409183409 CBPPQAVCINEEDG-BGEOKWEGSA-N 580.610 2.920 50 40 KFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409370301 OJXMNQZDONLRAJ-FSJBWODESA-N 537.392 2.837 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 100221069 MKLZWDYCZZTALS-TWKHWXDSSA-N 580.663 2.669 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(O)cc2Br)c(OC)c1 408956633 RJBWLUXJPQDYAA-RCKHJMGGSA-N 591.415 2.892 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 19950570 VWIOJYXAPGYWAE-WGOQTCKBSA-N 511.556 2.975 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1 409160916 XYBDLJBPRAHMRB-MZJWZYIUSA-N 549.422 2.857 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(C)=O 409369553 CUSILELKTBQUSC-IHLOFXLRSA-N 761.649 2.697 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCN(C)CC2)cc(Br)c1OCc1ccc(Cl)cc1 97966830 AIGVHLTUQBZUPZ-VVEOGCPPSA-N 659.933 2.747 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408690313 UWSVSBCGNNBCTL-IXFQNSDBSA-N 572.250 2.735 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 408949680 FVNYLDZFFRIEIH-FXDWWMIYSA-N 545.936 2.977 50 40 KFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2)OCc1ccccc1 408985176 ACSHSRQAMIFQJD-TXIUCGALSA-N 514.336 2.889 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 28213125 DZJOCLAXDYLCFS-JVWAILMASA-N 524.599 2.937 50 40 KFGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)CCCCC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 8398880 QAUKSEQORVDKPB-UHFFFAOYSA-N 580.686 2.913 50 40 KFGB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 101228526 KBRHSLVEPANRHZ-DALJILGISA-N 519.161 2.862 50 40 KFGB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 408670978 XVYPOPOYESDKJR-CQSZACIVSA-N 508.756 2.768 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1C 408691209 YVOGXLBXQURXBX-NLXTZRDGSA-N 556.251 2.953 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1 408773804 STOFDIILJJGOCX-MSXFZWOLSA-N 520.951 2.518 50 40 KFGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1Br 408827793 GYYGUXQEOZGTQE-MJHSOURCSA-N 634.578 2.729 50 40 KFGB CCOC(=O)COc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 408953138 WWAPTHVVYAZCHO-RUZDIDTESA-N 584.651 2.522 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Br)cc1 409379580 XYMLMFBKLJCLSF-UXHICEINSA-N 555.337 2.746 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)c1 28213083 BRCPDFCSUUHRHQ-OGLMXYFKSA-N 508.600 2.607 50 40 KFGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccnc3)C2=O)SC1=S)NNC(=O)c1cccnc1 150454663 JKYNXRBXIHSTHV-WCWDXBQESA-N 728.904 2.752 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc(OC)c1OC 408530753 FSTJCWMARYQPKB-SKDGZZAJSA-N 577.594 2.564 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@H]21 408683918 JDVZAVXHKTVLEZ-UKYAFMKFSA-N 507.930 2.660 50 40 KFGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(I)c1OCc1ccccc1F 408963555 FOWKQDBGKYDMNP-NUGSKGIGSA-N 541.346 3.144 50 40 KFGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1 19953760 KPEFRTNJGVNDBE-CNRHGSOZSA-N 515.373 2.995 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408690314 UWSVSBCGNNBCTL-JNYDFHNISA-N 572.250 2.735 50 40 KFGB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(C)c3s2)cc1 9381903 DRPVNZJJKMUHPX-UHFFFAOYSA-N 508.622 2.654 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408684641 KAFPGIGOTDMYFE-YBZCJVABSA-N 564.809 2.928 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1OC 408783468 PKYJXSMWUSLVLZ-WGOQTCKBSA-N 511.556 2.839 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 408863736 PHZAEGZVODPDLM-VUTHCHCSSA-N 550.637 2.578 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1OC 408875528 JTOGUXZYKVNUFR-WPWMEQJKSA-N 508.556 2.952 50 40 KFGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 408969752 TVBPOGLNFHOJLZ-LPYMAVHISA-N 525.381 2.917 50 40 KFGB C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1OCC 408998393 BEXDQEXKRXYVAP-ONXLMCOTSA-N 603.072 2.520 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409325019 WPZSNUVSQUULED-ROUUACIJSA-N 510.410 2.701 50 40 KFGB Cc1c(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 245232648 ZGEPHLPYXYPOPG-ODICJLLRSA-N 509.198 2.767 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)=O)c(OCC)c2)c(OC)c1 408954249 NFOSGLHBSQIEGE-YTRZNWOSSA-N 568.583 2.739 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770084 QONPKPAWIPWPLR-FPOVZHCZSA-N 504.568 2.521 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1CSc1ccccn1 100872366 IODKIAMJIMTFQP-CCVNUDIWSA-N 548.633 2.678 50 40 KFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Br)cc1F 409255834 JBCLJSYXJDZFPK-KBKYJPHKSA-N 517.311 2.965 50 40 KFGB CCOc1cc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)c(OCC)c2)C=3C#N)ccc1OC 2305493 OGPSPRBWFWXIBX-FIAAEMSQSA-N 530.606 2.676 50 40 KFGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)COc2ccccc2)C(C)C)cc1 6190643 WAJYIFVIQGWFER-VWLOTQADSA-N 518.570 2.928 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1c(F)cccc1Cl 36006804 NXUZOQWVGBFAKE-FMCGGJTJSA-N 517.808 2.698 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@@H](C)C(=O)O 100783133 NXGNMVVABGFORM-CQFMBXSDSA-N 568.664 2.638 50 40 KFGB biogenic CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(OCC)c1 409164089 CIEMESDQXRCZGQ-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332915 YWMSBTBFCOTHTB-BXIJHPRCSA-N 592.598 2.729 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408685004 KVGWXGWMQIWYJJ-FNFFVJSTSA-N 566.630 2.752 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(OC)cc1 409153243 MEXUXAHONCTKCH-FJEPWZHXSA-N 548.552 2.607 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)cc1 409271516 LXENLQKAZARICX-IPPBACCNSA-N 518.526 2.516 50 40 KFGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)c1 12550605 FIOJRNNAAGTBGT-UHFFFAOYSA-N 511.531 2.825 50 40 KFGB CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 148294504 VQPFSIRUEPQQPP-SUYBVONHSA-N 546.716 2.719 50 40 KFGB in-vitro Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408679289 GLIZFKGEBQTZQJ-VTAJJLHNSA-N 542.224 2.563 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409264074 KNVWXBUVPSTUOL-YSURURNPSA-N 523.771 2.857 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Br)cc1 409379581 XYMLMFBKLJCLSF-VQTJNVASSA-N 555.337 2.746 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408675481 AWJFYGGJKVWYJL-SQXHVFGTSA-N 578.641 2.608 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccccc1Cl 408684709 KIXAFVREXHXLNV-KKOKHZNYSA-N 536.604 2.744 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)N1CCOCC1 409156412 NQKLLSYNPNNGML-LGJNPRDNSA-N 614.824 2.670 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409175148 QQHVVUIXJSRJLV-HURLIOHXSA-N 566.396 2.991 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 1529547703 OILLDPCDUAGLNN-CTKYRQKOSA-N 592.428 2.948 50 40 KFGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408678441 FMTBEMFRBJUVCO-ZYEGKOGWSA-N 557.990 2.925 50 40 KFGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408825414 BHEPQUYPPADCOA-MBTHVWNTSA-N 547.033 2.845 50 40 KFGB N#Cc1ccccc1NC(=O)/C(=N\NC(=O)c1ccncc1)[C@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] 5834940 WXYCTCTYUJIRLK-STNPHGEVSA-N 525.441 2.547 50 40 KFGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)cc2)CC1 28215141 VCEWZGXYAWOCQC-UXHLAJHPSA-N 501.587 2.645 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC 59651339 ALVJCJRHLIVNIT-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408869201 RFYDEWMQOMVCDN-KEIPNQJHSA-N 644.710 2.877 50 40 KFGB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100553169 XLVPOSFANWBCSX-XIZKOKJNSA-N 578.051 2.953 50 40 KFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])c1O 101665807 QAZJTFOXWPAWEG-ODCIPOBUSA-N 519.268 2.988 50 40 KFGB CCc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408685579 LPYNNSPMARVRDH-WGUMKBCVSA-N 556.251 2.897 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408824829 AGJVERLNFSULOZ-YYMYZCKOSA-N 568.627 2.845 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C)cc2)cc1Br 408825620 DJCJNKGMCIXIJM-CCVNUDIWSA-N 589.468 2.976 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(OC)c1 409155378 QWJMTYHEQXFQKV-STBIYBPSSA-N 504.543 2.878 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc(OC)c1OC 1878261 DGVJPGSIFCSIGI-KRUMMXJUSA-N 502.527 2.510 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1F 28213418 RLUXNSMJDCVWMZ-MZJWZYIUSA-N 516.526 2.899 50 40 KFGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 100147077 MGDKVLWGJVHDFC-KJTWNORHSA-N 564.664 2.702 50 40 KFGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 408679210 CJIDTLZDZIPTMT-VOBQZIQPSA-N 542.386 2.993 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1 1529547883 QTSVABRPKLIQSG-STXUSEJVSA-N 591.042 2.697 50 40 KFGB CC(=O)N[C@H]1[C@H](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 95676842 YZEQLYSWZGUCQY-NYDDOVQGSA-N 606.612 2.820 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344235 HESIHKKNYSUVPL-CVKSISIWSA-N 558.569 2.975 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1ccccc1 408833009 YRPIFMUIIFORBR-GDRVPNFISA-N 661.762 2.918 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408957827 WJYYCGOWZFRUPB-UZXICYFGSA-N 724.505 2.970 50 40 KFGB CCOc1cc(/C=N\NC(=O)COc2cccc(Br)c2)ccc1OCC(=O)N1CCOCC1 409018018 HBLUIXFEAAONFQ-QFEZKATASA-N 520.380 2.615 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccc(I)cc1 409026332 MCGJTGOINFBRRU-VXLYETTFSA-N 536.189 2.970 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409125922 BIUUGLOWBOLELX-JFLMPSFJSA-N 557.581 2.765 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409165622 AHOBAYPHMDDYHH-MZJWZYIUSA-N 504.971 2.667 50 40 KFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 101006047 MFYGKCKXZBWSFE-AQTBWJFISA-N 528.568 2.824 50 40 KFGB Cc1c(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 245232647 ZGEPHLPYXYPOPG-FWXGHANASA-N 509.198 2.767 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1 408684035 JFMCFHJBUKWIBC-QLXJBWIVSA-N 556.251 2.952 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c([N+](=O)[O-])c1 408943537 HTJSJISYNXHHDK-FQEVSTJZSA-N 592.428 2.948 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)Cc2ccccc2)cc1 104680042 WKBBNYMCNSYXKF-ZTCOUNKMSA-N 594.690 2.710 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1 408688973 RKAWCAZYUUDIPV-CRWXNKLISA-N 581.055 2.853 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)c1 100025442 RCKUKCHXWQMFBC-WYMPLXKRSA-N 524.315 2.768 50 40 KFGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 100603738 HXDXYIRLLLKRJD-QQTULTPQSA-N 507.772 2.638 50 40 KFGB COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 102659316 LKXBETPEAKBTSM-PFGVGTPWSA-N 543.208 2.588 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)Cc2ccccc2)cc1 104680080 RSIIIBQEFCBCGK-RDNGQCRJSA-N 621.716 2.660 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409252200 CRMNRJYIMZOIGA-HNAPYZNHSA-N 516.982 2.810 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408678788 BZMSZTMTRRSLDD-LBCGREOCSA-N 556.251 2.953 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1Cl 408682990 MDWQJLDJOGZDFS-KSXHKMMQSA-N 562.642 2.908 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408877181 QOGZXDBNNZVVQL-AKLYFZKISA-N 550.637 2.706 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC(=O)O)cc1Br 408943648 HYNOYAQQRWLWBT-DEOSSOPVSA-N 635.493 2.806 50 40 KFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1OC 409312705 GYDOQYGNWQYMGH-ROTLSHHCSA-N 553.353 2.891 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 100334463 JEGLGLOQVBCDGE-JFLMPSFJSA-N 529.546 2.960 50 40 KFGB CCOC(=O)[C@@H]1C(=O)C(CN(CCCl)CCCl)C(=O)[C@@H](C(=O)OCC)C1c1ccc(OC)c(OC)c1OC 104154716 RORYMSBJNFWMIT-QUDVFMAMSA-N 576.470 2.702 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc(Cl)ccc1Cl 409028175 IGBJLEVAFGZBQS-FSJBWODESA-N 530.390 2.655 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 409160804 ZNJKACQCFJPXTM-OGLMXYFKSA-N 502.999 2.606 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 408864311 VKFFENCZAQXNTO-VULFUBBASA-N 545.415 2.659 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409116468 PJJZTYIENAQIQL-MUFRIFMGSA-N 601.634 2.618 50 40 KFGB O=C(CNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 5028460 OUAGLMNJDOMDPG-VWLOTQADSA-N 606.588 2.551 50 40 KFGB Cc1nnc(SCC(=O)NNC(=S)NC(=O)c2cc3cc(Br)ccc3oc2=O)n1-c1ccccc1 5223619 QSTDOAFVEVOFMQ-UHFFFAOYSA-N 573.454 2.872 50 40 KFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 19951293 IUSIYDXIXFBYSV-UHFFFAOYSA-N 514.361 2.512 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 103900841 HMVRGNVTHBLNHI-KIBLKLHPSA-N 521.901 2.827 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408676389 DALGOXPSGIPQLN-VNUXUXBQSA-N 542.224 2.509 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1C 408691226 YXJGKDNUVWZYCS-KBXIAJHMSA-N 530.213 2.707 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408691240 YZFXDHVXQJWJMY-PBDPTEOLSA-N 562.642 2.988 50 40 KFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)cc1 408877456 VZLRGTQFLBUPJJ-ZMFRSBBQSA-N 526.347 2.694 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409270145 CNTYOCZLTBWZJM-OCSSWDANSA-N 518.570 2.839 50 40 KFGB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 4775734 WCPKITGDIAWXQN-XKGFGPFHSA-N 503.445 2.840 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 100918911 GGGHBCSERVOUCS-KRWDZBQOSA-N 532.669 2.788 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408778665 KBCIHHPTRCFKJB-AODCUUCTSA-N 583.736 2.747 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 408995350 BOQMIEQGDKSEGE-NDZAJKAJSA-N 529.597 2.820 50 40 KFGB CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 6089430 IFJBPERYMVGYFG-VQTJNVASSA-N 506.496 2.819 50 40 KFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 28212999 GERQXQSJFPNLCX-AYQSFACRSA-N 508.600 2.859 50 40 KFGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 59443917 CUWZGGXFWBKTRQ-WPWMEQJKSA-N 527.599 2.802 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1C 408677011 DQEJSTBUTJVMKF-YWALVYIISA-N 542.224 2.563 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(OC)c1 408922779 HAMZLVKGVBKQOG-SQAVDECTSA-N 720.258 2.940 50 40 KFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 103902097 WOLQKQPEOTWNIL-RDRPBHBLSA-N 535.626 2.819 50 40 KFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 408604352 IGNYQBALFLUHLT-UVHMKAGCSA-N 533.423 2.995 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409169523 RJXZZFKRWCJZPU-OCSSWDANSA-N 534.569 2.887 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 28213070 LYZJUANQNIXINB-JVWAILMASA-N 524.599 2.937 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c(OC)c1 408947194 AUMVFKJKKWUUSN-FXDWWMIYSA-N 608.389 2.726 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409122229 ZGIRXPAWEZIZAX-RWPZCVJISA-N 559.572 2.740 50 40 KFGB Cc1ccc(C)c(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@@H]2CCCO2)c1 22823281 DXEHZIMBYGWWAQ-INIZCTEOSA-N 500.654 2.584 50 40 KFGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H]1CCCO1 101143043 BFTWTXIBDRVMQK-GJISQHIDSA-N 547.637 2.762 50 40 KFGB Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 8819648 ORWNTAAIWLZNSD-UNOMPAQXSA-N 519.626 2.715 50 40 KFGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccccc1 100557556 LSXCXWSRXHPUFM-BJNHXUTASA-N 513.182 2.581 50 40 KFGB C#CCOc1ccccc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408950931 SQTFHNKLUAVFOA-XMMPIXPASA-N 506.584 2.584 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 1529544449 GXRQULZPLPBPBI-NLSYVLLESA-N 639.428 2.790 50 40 KFGB COc1ccc(/C=N/NC(=O)C(=NNc2ccccc2)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 101390615 FVICAKPOLSBVTN-LPHFKDDMSA-N 532.557 2.790 50 40 KFGB CCOC(=O)[C@H]1C(=O)C(CN(CCCl)CCCl)C(=O)[C@H](C(=O)OCC)C1c1cc(OC)c(OC)c(OC)c1 104154734 GTCNZQGJCQXCFS-PUPGKCOFSA-N 576.470 2.702 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCC)c(OC)c1 408950113 GJWZTKFFLCKROJ-PBSMGWKUSA-N 540.573 2.823 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408688259 QIGPRBFTHXNNGT-REPYALDYSA-N 556.251 2.897 50 40 KFGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408890417 STHXSMSLDCLZHP-KEBDBYFISA-N 503.318 2.768 50 40 KFGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 408990018 JRMBQLPWYMYNHL-VROXFSQNSA-N 649.223 2.986 50 40 KFGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3c(CN4CCCCC4)nnn3-c3nonc3N)cc2)c1 2520776 BCSUFKKVLUOAND-RWPZCVJISA-N 515.578 2.870 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)cc1 102998606 GLSGIQQVIWCJLL-UHFFFAOYSA-N 595.099 2.582 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2)cc1 408865856 CHWBSDRLJVBEJX-LQKURTRISA-N 570.624 2.646 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409156823 MBNCHCGQKKAELW-BRJLIKDPSA-N 503.353 2.536 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409316605 ZQWRUNMZNNUEOO-QZTJIDSGSA-N 508.394 2.551 50 40 KFGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccccc2)cc1 409378417 OYQGJEODUKMOQT-FGZHOGPDSA-N 504.495 2.600 50 40 KFGB O=C(CCCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)N/N=C1\C(=O)Nc2ccc(Br)cc21 2605841 QZJVEOKQKOKNSH-UHFFFAOYSA-N 576.205 2.627 50 40 KFGB O=C(CCCCCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 8399508 RHOLQPRRMXHCGB-JTZQCBLNSA-N 542.461 2.511 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)c(OC)c2)c(=O)c1C#N 15018618 PPHGGDAWIMQQPC-HIUVJMHLSA-N 514.901 2.709 50 40 KFGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 97976948 DUBCNCYBKCNSPB-FHULIHMCSA-N 534.270 2.999 50 40 KFGB Cc1c(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 100501198 ZGEPHLPYXYPOPG-WGGGBPLMSA-N 509.198 2.767 50 40 KFGB CO[C@H](O)[C@]12O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@H]1Oc1nc(=O)ccn12 263607624 SDNSUZRVBFXLON-JJYSZZJESA-N 528.751 2.977 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 408690615 WBKHRKZMDABJAI-OTDUMZTLSA-N 556.251 2.952 50 40 KFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408783877 RXMNDKRQIXLGJA-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1 408922629 GDNUQRFLVLOZLC-ZGVXQSDHSA-N 591.415 2.805 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccccc1 409001358 HZMWJYQVMAMSCJ-MUJSEJAWSA-N 663.728 2.872 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1CSc1nc2ccccc2s1 33353841 NHEPBKPRFVMXIT-XODNFHPESA-N 606.694 2.739 50 40 KFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408685219 QHOLWSBWNUWEDQ-XRWATXQWSA-N 562.642 2.908 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(OC)c1 408942085 FNJKUXSVMZRYPC-XMMPIXPASA-N 526.615 2.979 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409262285 HJXVBTVDQDBUBL-JFWKYIDNSA-N 523.373 2.765 50 40 KFGB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCSS(C)(=O)=O)CC2 22055072 KZMCZFBQMMHSRF-KRWDZBQOSA-N 523.629 2.935 50 40 KFGB in-vitro COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 408837795 NTANTZJYGZRNQO-RWPZCVJISA-N 558.588 2.777 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409166836 GULNELNWFLDYQV-JFWKYIDNSA-N 614.824 2.716 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409254765 IRXOYRCYQRVUQM-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)ccc1OC 409322611 MEBKAIJZIACEJW-YVNNLAQVSA-N 528.299 2.934 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 1529546831 HTJSJISYNXHHDK-NLSYVLLESA-N 592.428 2.948 50 40 KFGB CSc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 32576996 INXSHOVYMCSORB-HMAPJEAMSA-N 511.467 2.628 50 40 KFGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)ccc1Cl 102995366 FPCGOTQRKRAUGJ-UHFFFAOYSA-N 587.861 2.626 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408536920 UBBUCUQIYVJXNP-SCWWFSKWSA-N 514.336 2.658 50 40 KFGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)C(=O)NC2=S)cc1C 408747267 LIPQZNXRYCCQTN-MGZHSMRGSA-N 500.580 2.705 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1)Nc1ccccc1 408997759 HRMVNLXPVKVHHW-BINVIQKJSA-N 653.692 2.875 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c(OC)c1 408923960 MHSOBWXCKLBVSV-RJRLBWOVSA-N 519.558 2.907 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770082 QONPKPAWIPWPLR-CTNGQTDRSA-N 504.568 2.521 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)N1CCCC1 409156295 FCULGGUZFFWHQN-VULFUBBASA-N 594.406 2.789 50 40 KFGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409165136 SZQNDCRUBZCDJY-LQKURTRISA-N 589.443 2.739 50 40 KFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1 409173298 IFCXHAKLEOLFOB-OCSSWDANSA-N 534.569 2.539 50 40 KFGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409382844 RYJVDKMMZZOCTL-VXKWHMMOSA-N 549.492 2.508 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Cl)OCO2 1529548790 NWYIFPHZESJOSX-OPZOHNAHSA-N 530.990 2.954 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409254896 JPKCEEPKTBNZQH-MZJWZYIUSA-N 504.971 2.748 50 40 KFGB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N/N=C/c1ccc(OC(=O)/C=C2/SC(=O)NC2=O)cc1 102886900 XIBOQXNTMRZFFZ-HRNGPSPFSA-N 568.571 2.624 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408685005 KVGWXGWMQIWYJJ-LPWJVIDDSA-N 566.630 2.752 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409169126 OWUOTJREBIDJGN-OBPDLJBASA-N 570.359 2.821 50 40 KFGB N#CC1=C(N)n2c(s/c(=C/c3ccc(Br)o3)c2=O)=C(C#N)[C@@H]1c1ccc(Br)o1 409336311 NPRZRHPXTINXBH-FDYAIDJWSA-N 520.162 2.572 50 40 KFGB COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 6973794 MFLVXTBIBYJWBG-UHFFFAOYSA-N 577.623 2.558 50 40 KFGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1cc(Cl)cc(Cl)c1 408771360 HNQYYUOSPHIZAV-UHFFFAOYSA-N 520.192 2.995 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409133005 YYNNXKDZFLPIFT-OKCVXOCRSA-N 584.626 2.846 50 40 KFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 408721157 LLRFHEHYHVNVKK-GEVRCRHISA-N 551.155 2.755 50 40 KFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408829151 OCARVLSXZJFTPA-QRGYCXFASA-N 642.756 2.621 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)c(OC)c1 408955936 PRIVRYINTUANBG-GVYDMDKTSA-N 663.478 2.738 50 40 KFGB CCOC(=O)C1=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OCC)cc1 988711 VFJACBJTPDSEBO-AMCKHAKVSA-N 517.607 2.698 50 40 KFGB COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 9833466 MKHWDTCBFVGETD-UHFFFAOYSA-N 502.774 2.591 50 40 KFGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 20533879 DNIXPXOFBDMWCK-RVDMUPIBSA-N 506.569 2.930 50 40 KFGB NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 102994685 BLLSPYHYCWOWNO-HNNXBMFYSA-N 538.866 2.577 50 40 KFGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1 409157804 RWVRYVWWZNMWAR-HNAPYZNHSA-N 608.433 2.625 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OCC)c1 409163673 WBFJQABIDDNCJS-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409375268 IBMZXSIBBWHETL-JWQCQUIFSA-N 635.626 2.985 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 1529547294 KFIVHLHORLUCHM-MCBYZNMFSA-N 533.006 2.939 50 40 KFGB O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccc1Br 100603839 YIHIVQFAXNNNRY-NKFKGCMQSA-N 522.197 2.982 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)Cc2ccccc2)cc1 408995429 CPOHNEKNYXSFGS-LQNQUEJISA-N 579.679 2.890 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409026527 RLPFBPXBRQCJPQ-BHGWPJFGSA-N 515.419 2.813 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)c(C)c1 409254478 IQFAOWJGFCZVMN-IPPBACCNSA-N 502.527 2.816 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Br)cc2)c1 409383564 ZZAJBEAHSKUDQT-VXKWHMMOSA-N 615.389 2.763 50 40 KFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2I)[C@@H](C(=O)OCC)C(=O)N1 1433795 NNVYYFQNNDOHDG-HZPDHXFCSA-N 514.341 2.715 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 103885839 ROQOYGZMOSKEAZ-WZUFQYTHSA-N 554.122 2.833 50 40 KFGB CCn1c(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)nnc1-c1cc(OC)cc(OC)c1 408638007 PNQGBCSFLXGGPY-UHFFFAOYSA-N 501.565 2.553 50 40 KFGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1O 408952304 JYJWQEVBPGQGCZ-OMXDSUCJSA-N 552.584 2.858 50 40 KFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 8819642 LASVFAAEIBHDPL-WQRHYEAKSA-N 514.541 2.766 50 40 KFGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 97947315 NJJSBHNHBYMKBO-OQKWZONESA-N 535.626 2.620 50 40 KFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 100072411 JDCDHFIRZOQZSQ-JFLMPSFJSA-N 527.530 2.868 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1ccc(C)cc1 100830943 SBIJXJCJBOQGEB-WKULSOCRSA-N 545.604 2.878 50 40 KFGB CO[C@H](O)[C@]12O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3[C@H]1Oc1nc(=O)ccn12 263607625 SDNSUZRVBFXLON-JOLONKIQSA-N 528.751 2.977 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)c1 408865419 CMKGRYZMDLGKKV-WYMPLXKRSA-N 506.968 2.830 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)cc1O 408953714 XVDKKDUCTWQIKT-OAQYLSRUSA-N 610.430 2.587 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCC)c1 1529546096 CQRSITBVVVJVKQ-NRDUTDNZSA-N 526.615 2.979 50 40 KFGB C/C(=N\NC(=O)C[n+]1ccccc1)c1sc(-c2nc(C)c(/C(C)=N/NC(=O)C[n+]3ccccc3)s2)nc1C 5810419 IGXSCTMCRNNDDL-UHFFFAOYSA-P 548.698 2.539 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408535404 NZAMJULJFHKIAU-YTIGJDNKSA-N 585.314 2.751 50 40 KFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(Br)cc(Br)c1O 409011137 MJEYAXOJAJKNJP-FOKLQQMPSA-N 541.196 2.919 50 40 KFGB COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2)cc1Cl 102992912 BVTJIHTWMNHKEE-UHFFFAOYSA-N 571.999 2.778 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408728437 MIWDZOWFOKJMDP-MFKUBSTISA-N 528.543 2.966 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2OC)cc1 409161507 YHPRRNDXTIYWLU-STBIYBPSSA-N 504.543 2.530 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 58883359 QYACZPDUBAWGMK-YUMHPJSZSA-N 509.584 2.888 50 40 KFGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584641 VKPAVCILHIJICG-OINMWHHXSA-N 547.058 2.554 50 40 KFGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)C2=O)cc1 408536411 RIQOHYAVNFAVLM-XLBLDCAYSA-N 589.561 2.588 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]12 408690551 VVSMRARFLUPKRS-NHRGSCSFSA-N 552.381 2.769 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC(=O)N1CCOCC1 409012658 KYZOBWQESRPHQM-TWKHWXDSSA-N 517.582 2.709 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 1529547204 JNWOLFIRDFYIAF-NLSYVLLESA-N 547.977 2.839 50 40 KFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1 12250485 VIPMBTYGPFQHJS-VXKWHMMOSA-N 523.567 2.982 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 100992154 VORIBDOXXVSYJJ-CCVNUDIWSA-N 536.497 2.720 50 40 KFGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 102930702 FQDNIVNLNXCLIM-UHFFFAOYSA-N 581.585 2.539 50 40 KFGB Cn1ccc(CC(=O)NNC(=O)Nc2ccc(Cc3ccc(NC(=O)NNC(=O)Cc4cccn4C)cc3)cc2)c1 102939911 UCBUAQBBDMPRSA-UHFFFAOYSA-N 556.627 2.745 50 40 KFGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)SC1=S)NNC(=O)CSc1nc2ccccc2o1 195798999 NIGOSZQEFARLRZ-WCWDXBQESA-N 816.972 2.861 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408728413 LTBCSRMSSYMEIF-AFUMVMLFSA-N 544.542 2.672 50 40 KFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 408999327 QYONPGRQIGRKNO-FCDNEXOUSA-N 583.041 2.909 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409156300 NKUKULGXLDKTLS-RFJLOWGHSA-N 608.433 2.761 50 40 KFGB Cc1c(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 97944173 ZGEPHLPYXYPOPG-PLZKBRGSSA-N 509.198 2.767 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(C)(=O)=O)cc1Cl 408825770 FUSGPPRGXNYCBK-ZVBGSRNCSA-N 520.789 2.742 50 40 KFGB CCOC(=O)Cn1cc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408949831 GFXBZFYOZJSTQA-PZPZIDGFSA-N 591.621 2.933 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409153733 MJYHPGAAKKOOFW-XHUAFICTSA-N 536.507 2.867 50 40 KFGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 12495380 OHIBUYYQZKBWIU-ZXVVBBHZSA-N 522.631 2.566 50 40 KFGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688492 WXQLFLJHQWBZQB-ZYEGKOGWSA-N 557.990 2.925 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408688815 XRWDJZITYVMQHI-IGQFXSRTSA-N 614.287 2.759 50 40 KFGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 409158929 PMZQWLABABOWRZ-YCPBAFNGSA-N 501.259 2.682 50 40 KFGB C[C@]1(CBr)Cn2c(nc(=O)c3c2NC(=O)[C@]3(NC(=O)c2ccccc2)C(F)(F)F)S1 12402482 YKTBIVFENMCUDI-IRXDYDNUSA-N 503.300 2.642 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408681120 FCXUHJFFQTYCFI-BQLFOJHWSA-N 556.251 2.899 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 97958996 OLVCYLNWQQGMLJ-JQAMDZJQSA-N 531.285 2.690 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(SCCO)c([N+](=O)[O-])c2)c1C#N 100369767 ZALSWARGXVWWNS-AQHIEDMUSA-N 538.380 2.692 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408533607 KHNLHICSUANSEC-MUKDWXQFSA-N 503.437 2.915 50 40 KFGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537742 WXHLOGBVHJMQCK-HUZSXYRPSA-N 501.474 2.622 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408686089 RZVQRURZYJIAOM-SNHGZMDHSA-N 540.370 2.603 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408837452 FOYDJGCVUMFHHK-LQKURTRISA-N 555.609 2.910 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 408947967 OILLDPCDUAGLNN-HXUWFJFHSA-N 592.428 2.948 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1 409254938 JVRMWONQXBDRIF-REMUQMNCSA-N 505.369 2.840 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 59246851 GFACPFBRAKICTB-FMCGGJTJSA-N 507.341 2.727 50 40 KFGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCCc3ccccc3)cccc2OC)cc1 408610797 UMQLKONZCKRRSB-UXHLAJHPSA-N 518.570 2.920 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409154258 GHVHGQKSNZOWGT-STBIYBPSSA-N 504.543 2.878 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)cc1 409273592 ZEUMBSHDIBUZSC-RPPGKUMJSA-N 529.347 2.835 50 40 KFGB CO[C@H]1C[C@@H](C)CC2=C(NCCCl)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@H]1O)C2=O 104211051 NDSRHDSAGOYHHW-HWWLFCNKSA-N 608.132 2.590 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 1529547636 MSLBKWCASGAWFQ-VRDMTTIJSA-N 682.493 2.648 50 40 KFGB O=C(Cn1nnc(Cn2cnc(Cl)c2Cl)n1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2153341 LIRNTHDVWKNDAG-UHFFFAOYSA-N 531.204 2.724 50 40 KFGB NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100422322 MCKDXFPWYVIPBL-VYYCAZPPSA-N 559.442 2.654 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1cccc([N+](=O)[O-])c1 408729499 BPMWSAVOJNHWPI-KEBDBYFISA-N 536.311 2.996 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(I)cc1 59246688 QBKIMAYTVSZPBE-QRVIBDJDSA-N 509.344 2.661 50 40 KFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 409028909 SYUTVUCNDAGIKE-NDZAJKAJSA-N 536.654 2.903 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1OC 409154869 PHKPLFAGFBGBCD-WCMJOSRZSA-N 552.559 2.678 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)cc1 409166547 CZICFFFDYGSVQW-VFLNYLIXSA-N 583.395 2.970 50 40 KFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 409270475 PYQAGQLQQOMZQA-XODNFHPESA-N 508.918 2.853 50 40 KFGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 409385040 GTNGUZNUHNFOAZ-CLJLJLNGSA-N 645.577 2.846 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409387144 NUTRYGDOTLNOSB-YADHBBJMSA-N 570.938 2.654 50 40 KFGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018265 JVKZJBDZGOCTDM-OPAMFIHVSA-N 566.527 2.694 50 40 KFGB O=C(COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Br)cc1 408646878 QUXTUKLPBXPATG-UHFFFAOYSA-N 538.203 2.924 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c(OC)c1 408925625 VDVWPMPPCREIRB-LIOPFRDXSA-N 535.351 2.771 50 40 KFGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2286196 TVCKTSHZNWGBRE-BSGRSYFISA-N 512.522 2.621 50 40 KFGB CCOC(=O)CNC(=O)[C@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 5707241 RRQJCRFCWPLMKD-LEWJYISDSA-N 593.680 2.722 50 40 KFGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)ccc1Br 408684415 JYLMTGJWADXWGR-MXMMTARNSA-N 518.191 2.705 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)cc2)cc1 408922335 ZJYKCQYHIMTBKX-JVWAILMASA-N 540.598 2.638 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059912 QWXRGXOJISMZEE-ZVHZXABRSA-N 514.516 2.663 50 40 KFGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 408826365 GIBFTHVGHOYGKD-UVHMKAGCSA-N 533.006 2.853 50 40 KFGB C#CCOc1ccccc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408950929 SQTFHNKLUAVFOA-DEOSSOPVSA-N 506.584 2.584 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409165772 BLJLIWLZSUSDRF-WMGMBDKSSA-N 567.824 2.874 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1 408678161 BKJLZYAUDMHAKP-HPKFOSBRSA-N 562.642 2.990 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c(=O)c1C#N 409005524 DYMWXTKQWFMNRD-CPDSRJINSA-N 531.569 2.660 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(OC)cc1 409265279 UGNVGCMVNGJPHB-HZZGJGATSA-N 505.369 2.840 50 40 KFGB CCNc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(OC)c2)cc1[N+](=O)[O-] 12528886 ILXRURPFUNRLQT-GAQODJSJSA-N 513.551 2.814 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408768292 DZWVVFHPZXPSBI-AFUMVMLFSA-N 528.543 2.972 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408981653 WAZOEFOCGQMHFS-MTDXEUNCSA-N 539.610 2.874 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409163883 ZBLPMYNEOHSDNX-UVHMKAGCSA-N 537.386 2.987 50 40 KFGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 9345952 IPZJLEFELHIJAT-XDJHFCHBSA-N 500.559 2.649 50 40 KFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 408833815 ZCOVUXMNZWOMKT-MJDZGMBVSA-N 538.626 2.695 50 40 KFGB COc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)Cc2nnc(N)s2)cc1OC 408970689 CAYJBVZWFDIGOY-WYMPLXKRSA-N 536.408 3.051 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1O 409377652 JSINLLJBZMKOTG-WOJBJXKFSA-N 561.330 2.996 50 40 KFGB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccc(N(C)C)cc4)cc1)N(C)CC3)OCO2 70670100 YFNDTORUBHZDHO-QUCVJYLXSA-N 554.611 2.807 50 40 KFGB biogenic COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccccc2OC)cc1 409024292 JIPWLCDRFGXJNK-WGOQTCKBSA-N 511.556 2.975 50 40 KFGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2)cc1 409160033 SCKWXBRHRLGHDR-FDAWAROLSA-N 548.596 2.929 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 1529548230 ZIBMKQGZRRFADN-VRDMTTIJSA-N 635.493 2.806 50 40 KFGB CSc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 100380790 OXUCWZCNIFBAKF-FXVMGJAWSA-N 558.707 2.623 50 40 KFGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1cccs1 100745888 LHUOSFJZHJWCKS-CQZKWASNSA-N 544.637 2.594 50 40 KFGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@](O)(CO)[C@@H]2O[Si](C(C)C)(C(C)C)O1 263592607 AHROWOLVZJDNSE-UFGBVDADSA-N 516.740 2.526 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1 408830492 SAQHEKWUSSXCHE-ZHZULCJRSA-N 500.511 2.935 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(C)=O 409369554 CUSILELKTBQUSC-KYJUHHDHSA-N 761.649 2.697 50 40 KFGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC 409410494 XOFBZHLWZLIJAT-GKHNXXNSSA-N 521.482 2.981 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(I)c(O)c1 408741741 NOMUPZUBXVDPHN-UKWOGYLFSA-N 587.193 2.539 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408824826 AGJVERLNFSULOZ-UBIUZYBUSA-N 568.627 2.845 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409313385 PTERUINXMXKXIW-VXKWHMMOSA-N 507.568 2.569 50 40 KFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408905420 ADVHWGNWZAYMGJ-FQIOEHTJSA-N 569.352 2.571 50 40 KFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 408905737 DDYXEBJIVWGFDE-BFTVFPACSA-N 511.316 2.813 50 40 KFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)OCc1ccccc1 408990562 OEBFVERHWRAJGU-PIICOGJCSA-N 578.323 2.616 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCCc1ccccc1 97966623 AEGKXJBHMARRCU-OCSSWDANSA-N 559.631 2.858 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1 408877453 VGBNDLRIJHEMEP-UHBFCERESA-N 547.568 2.923 50 40 KFGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408948562 PLXZJCCVTIOCQL-MHZLTWQESA-N 598.678 2.912 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 409183539 CVDBQUNUASXUDM-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)NCc1ccccc1 409247497 CPPDPFSBNGBKCN-FDAWAROLSA-N 518.570 2.556 50 40 KFGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 9191978 AODDGBHKVHDXKG-YWNAFCPWSA-N 505.600 2.990 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)c1 408685427 QQVXMIGVGMUOQC-MVXJNQHVSA-N 542.224 2.563 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(OC)c1 408924993 RGSOYIQRILVPSF-KIQZMAHNSA-N 562.535 2.983 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCC(=O)N1CCOCC1 409018985 ZTSWDWBZSCKVSA-ZVHZXABRSA-N 537.354 2.691 50 40 KFGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409152244 DQVYAMBQCAMDGC-LQKURTRISA-N 591.459 2.963 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 20061142 LOYQNGZFCKXVBF-WGOQTCKBSA-N 510.572 2.629 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408676797 AGCILAOJVFCBOD-YUEHCAIXSA-N 614.287 2.903 50 40 KFGB COc1cc(Br)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c1O 408997195 CLBDNRNMIIBRJS-SPYDPLLYSA-N 516.352 2.874 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1Br 408998212 KTUPFOYWAASKOP-CBDTXRHOSA-N 685.528 2.562 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2CCN(C)CC2)c2ccc(Br)cc21 22785454 RXZIZUBKFUFBFV-QYQHSDTDSA-N 514.424 2.517 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 58918466 LYSJBGQPEZZDAC-WGOQTCKBSA-N 511.556 2.821 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 100289664 JHTYCLQZXNKODC-OVVQPSECSA-N 553.597 2.786 50 40 KFGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OC 105511417 RVPHAEOHLDQNCP-YSURURNPSA-N 538.342 2.949 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408878246 YTQMYBCYPXJZEN-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCC(N)=O 408979939 OSCUKDKYQSLNLR-CZMJTDGBSA-N 514.579 2.510 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1 408610158 MNMQZFLIEOBKFF-WCNLIYRBSA-N 547.406 2.611 50 40 KFGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408753084 LHEVSRNFXPXIQC-OQLLNIDSSA-N 552.359 2.899 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)c(OC)c1 408922692 GMNFEHHSHUWXDO-FNYQFALQSA-N 553.616 2.967 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1 1529547939 RXBWAQVKZAKWJG-CGGVTCGFSA-N 605.069 2.785 50 40 KFGB Cn1c(=O)c2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c([N+](=O)[O-])c(=O)n(C)c2n(C)c1=O 95676833 BLNDTZRUFPSJSL-UHFFFAOYSA-N 541.504 2.653 50 40 KFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc32)cc1 101027860 CPLQZZUKYIRCMH-MEFGMAGPSA-N 506.496 2.796 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)c(OC)c1 409257323 QCCRJNCLVWCNSM-BTIIEKFUSA-N 523.359 2.979 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(Br)cc1F 409261505 CNMRWXKPCQKIFO-KBKYJPHKSA-N 517.311 2.965 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 19951493 LMYRDGAIENJKNL-WGOQTCKBSA-N 511.556 2.836 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc1CSC1=NCCS1 97967226 ZLSWZFBWGUVIBZ-YCPBAFNGSA-N 590.742 2.677 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(OC)c1 408922075 DVQVJJMLNBDTMQ-FXDWWMIYSA-N 561.389 2.883 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1 408925035 RZTQOUZWOQESGQ-OGCGYOKDSA-N 508.531 2.590 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 1529544448 GXRQULZPLPBPBI-KNMNCLCNSA-N 639.428 2.790 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)cc1O 1529544746 NIXUGTGKJKFUQB-FAPJBXQOSA-N 563.430 2.745 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 2309000 ZJBXTSBGJFBDCB-CVKSISIWSA-N 510.572 2.700 50 40 KFGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 9003982 PDRHRZUZRSWWIY-FLXZHSAZSA-N 506.584 2.995 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccccc2Cl)cc1 28212970 HZMFBPDXKNUXLI-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)C(Cl)Cl)s2)s1)C(Cl)Cl 105622225 HQHDSRATMWTOOS-UHFFFAOYSA-N 538.266 2.692 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408679021 CAOBJEOJWXGASN-ZYGGUILKSA-N 588.249 2.657 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2)cc1 408830705 NLJPWCAYIVBKGK-TYBAKLTESA-N 580.663 2.715 50 40 KFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1 409258683 YVYUKISLUYUYBH-FJEPWZHXSA-N 532.553 2.770 50 40 KFGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409264991 MCUSZOKSSAVMBJ-SDHJZUEUSA-N 531.407 2.829 50 40 KFGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)nc12 8829311 XWCRATXQWOCWAZ-CPNJWEJPSA-N 511.991 2.696 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 19953013 QKBUFQBSIHCLCH-OGLMXYFKSA-N 521.574 2.969 50 40 KFGB CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102239511 GSSHMADOQRCHEI-BEDVUQBCSA-N 512.198 2.994 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N(C)C 408940338 CDPIJVXTQXFCQF-HSZRJFAPSA-N 540.602 2.546 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409151907 HZHBQDQNKUIUPS-OCSSWDANSA-N 534.569 2.539 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cc4ccccc4oc3=O)cc2)cc1 2630222 NBFHHVWUXCZQSY-UHFFFAOYSA-N 505.552 2.997 50 40 KFGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 100432451 HMWXBRKIHRRIRC-MWLSYYOVSA-N 550.593 2.909 50 40 KFGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3cccc(Br)c3)C2=O)ccc1Br 408531531 KQTXBBIWBUIXRP-NTEUORMPSA-N 522.153 2.921 50 40 KFGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1Cl 408645320 LAOGWTWLAFWSMC-CQSZACIVSA-N 508.756 2.768 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408679017 CAOBJEOJWXGASN-VQHPVUNQSA-N 588.249 2.657 50 40 KFGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409014393 PKDGQCUGKASSQH-MSXFZWOLSA-N 555.223 2.978 50 40 KFGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)Nc1ccccc1 409230640 DRXIMLVUDZBAOL-ZSOIEALJSA-N 534.310 2.809 50 40 KFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccccc1 408868239 OQQRAJJYJIXLPE-TURZUDJPSA-N 536.610 2.513 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409239997 IXJWUQYAVDNTIS-NSIKDUERSA-N 521.267 2.679 50 40 KFGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc(OC)c1OC 13602552 SKSMQJHSMVKIBT-LNAYWGNQSA-N 517.538 2.912 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O 100053898 VCZXETSKJBMDDV-ODDBZWQPSA-N 537.485 2.804 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)cc1 409152501 BHVLFUYYJSOHJD-KBVAKVRCSA-N 564.595 2.548 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)c(OC)c1 409257325 QCCRJNCLVWCNSM-OBPDLJBASA-N 523.359 2.979 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 6073817 LDIFWLREMZOLLT-MTDXEUNCSA-N 536.610 2.815 50 40 KFGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 58873187 INAXLZBXNFKVHW-YKQZZPSBSA-N 518.570 2.920 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408684686 KGTCVRURJZQBJW-YLIJSYDGSA-N 572.250 2.733 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)c([N+](=O)[O-])c1 408948205 OZGDTNMCWISNCE-JOCHJYFZSA-N 511.560 2.788 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409315153 NMELSJGXAUTFIP-NHCUHLMSSA-N 509.540 2.591 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 8384773 OEHOVGCEEHUMOW-VJKRCDFGSA-N 538.626 2.868 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1OC 20211292 VPHHVRXNCRWYQP-YDZHTSKRSA-N 502.505 2.788 50 40 KFGB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)Oc3ccc([N+](=O)[O-])cc3)=C(SCCN/C=N/c3ccc([N+](=O)[O-])cc3)C[C@H]12 100035326 YDWAQCQEJLIZEJ-YFZFPPMRSA-N 541.542 2.914 50 40 KFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)cc2)C[C@@H](C)O1 100816491 SOFYTQOYPDKKTN-ZGOHLKDMSA-N 541.380 2.625 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccccc1Cl 408683791 IVFFFHYXOXGRKG-SQXHVFGTSA-N 562.642 2.990 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 408828654 IKWSETMWNRMLNO-UXHLAJHPSA-N 552.653 2.658 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 15978461 NDFHRUBVWHAGAJ-HOTGVXAUSA-N 523.999 2.605 50 40 KFGB O=C(NNC(=O)C(Oc1ccccc1)C(=O)NNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 102946916 WPBVUHITJCBRNV-UHFFFAOYSA-N 590.228 2.881 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408680679 DQCKPMHJQWMUCJ-FZDBZEDMSA-N 602.276 2.903 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408875104 DATPLNRXPYIZAN-JUGGUAMHSA-N 655.686 2.632 50 40 KFGB CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(N)=O 408976653 BNEXWTQJNMKQPG-BGEOKWEGSA-N 538.626 2.818 50 40 KFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 409026178 IFNBCUCPKGKKLY-KEBDBYFISA-N 566.215 2.979 50 40 KFGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NC3CC3)cc2OC)cc1 409168936 NXDJBUKTHGSALD-BRJLIKDPSA-N 564.380 2.608 50 40 KFGB CCN(CC)C(=O)Oc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc1 102278439 ZUUXABNCTZTHQC-MWLSYYOVSA-N 558.603 2.790 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1 408774810 YBEAPJYNIYROEI-UUYOSTAYSA-N 505.350 2.609 50 40 KFGB COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102972809 AEZWEZBZZBBHMT-UHFFFAOYSA-N 553.018 2.731 50 40 KFGB CCc1ccc(C(=O)N/N=C(/C)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387434 XGTQLDPXWUNPCN-ISIZEQLFSA-N 673.719 2.808 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408681121 FCXUHJFFQTYCFI-IXFQNSDBSA-N 556.251 2.899 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408868255 OYQGXDOQYBBDTH-LQKURTRISA-N 555.609 2.910 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408880600 KBTAOVMLMJZXIJ-KXACJBKOSA-N 637.715 2.673 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC(=O)O)cc1Br 1529546869 HYNOYAQQRWLWBT-OBOCUERJSA-N 635.493 2.806 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 103894604 DCKDFSTXZANHQY-RWPZCVJISA-N 545.017 2.948 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)c1 408685013 KWQHCIHIQGIUMZ-PYHGIMPFSA-N 530.213 2.707 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCC#N)c(OC)c1 408958422 YSZAQNIUEIJCLY-UDEUWVDHSA-N 555.975 2.971 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 409027499 DUVRIQGGOTVWOE-VULFUBBASA-N 543.533 2.668 50 40 KFGB COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1I 2551604 WSFWUYIHGVGKLG-UHFFFAOYSA-N 524.134 2.605 50 40 KFGB CCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)cc1 408711951 SDWMZDWRAIOMOS-FSJBWODESA-N 526.327 2.943 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2O)c(OC)c1 408926650 YZPGPGCLEOAQNQ-FXDWWMIYSA-N 516.938 2.774 50 40 KFGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)oc12 408962525 SRKXVPAOFPHSQY-LGJNPRDNSA-N 505.487 2.927 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(I)cc1 409029251 XOJHFXOZLXPALS-DJKKODMXSA-N 536.735 2.769 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377767 JTDNMJFNUSQGIU-GOTSBHOMSA-N 518.522 2.909 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1Cl 409163802 XZCCWWAXOJHTLE-VFLNYLIXSA-N 538.944 2.861 50 40 KFGB CC(C)N1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c2ccccc21 9380099 VYIREEIDLOXDGR-AMLXCYGQSA-N 502.575 2.708 50 40 KFGB CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)c(OC)c2)C=3C#N)cc1OC 100771173 ZSIJDHWHOPUQMX-FIAAEMSQSA-N 530.606 2.676 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 101052294 MAIRMMVPQMFZTA-KTSXYBPLSA-N 526.225 2.878 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1 408688978 RKAWCAZYUUDIPV-MQYQWHSLSA-N 581.055 2.853 50 40 KFGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1OC 408828178 VXYGRVIWVMOIEB-CYVLTUHYSA-N 502.527 2.818 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 12285180 OCMUNQGEURWGHN-YYADALCUSA-N 501.381 2.602 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(Br)s1 70463105 LVNRUHHUZSYXMP-JAIQZWGSSA-N 550.298 2.730 50 40 KFGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1O 105511334 ZREMINTVGPGNSZ-NUGSKGIGSA-N 524.315 2.646 50 40 KFGB COc1ccc(OC)c(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 408768835 KBALUKUTIVVEBI-UHFFFAOYSA-N 508.556 2.680 50 40 KFGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1 409263154 HSBGKTLCAFFRST-RPPGKUMJSA-N 529.347 2.835 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC 105674656 SWXNJRVDDDUEBT-YZSQISJMSA-N 526.571 2.996 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408684724 KKNYSCBTGLZAFD-RCVRETJCSA-N 556.251 2.952 50 40 KFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409310043 POVNGKCOHHCLFP-MOPGFXCFSA-N 534.388 2.838 50 40 KFGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409331577 GHWXCZSYYHEYME-YCPBAFNGSA-N 531.385 3.487 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)CC1 408800079 KFHBTNVWEAAHCA-ACXHZZMFSA-N 601.447 2.649 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)cc1 409260886 YBWASDKBCQYNLW-FJEPWZHXSA-N 532.553 2.906 50 40 KFGB O=C(CCCCC(=O)NNC(=O)c1cccc(I)c1)NNC(=O)c1cccc(I)c1 8398046 ABBAKOIKSSODFO-UHFFFAOYSA-N 634.212 2.678 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 59472790 KXIHELDGKHKEIP-WPWMEQJKSA-N 508.556 2.952 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408678786 BZMSZTMTRRSLDD-FSMQDNEQSA-N 556.251 2.953 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 408829013 NKEGPZPCTZVYEN-ZKQTYJKJSA-N 538.626 2.868 50 40 KFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408997061 QKQGKBUURPOXCS-CFRMEGHHSA-N 568.368 2.959 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)N1CCCC1 409150945 FILIXWDMNLWQIF-LGJNPRDNSA-N 582.370 2.919 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409170757 XBJZXJJAXYPYAL-HBPDMVEESA-N 561.433 2.837 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c(OC)c1 408925628 VDVWPMPPCREIRB-MVRBIIFYSA-N 535.351 2.771 50 40 KFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1)c1ccccc1 409110831 YYGUNVRPRJLJDM-UPHQNKNSSA-N 526.590 2.998 50 40 KFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2I)[C@H](C(=O)OCC)C(=O)N1 1433798 NNVYYFQNNDOHDG-HOTGVXAUSA-N 514.341 2.715 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 104680056 IFJVMERSDDZBCS-GDKBXFSLSA-N 608.717 2.753 50 40 KFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409167591 JGKNWABVHIBROA-LQKURTRISA-N 638.459 2.805 50 40 KFGB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4647197 ABJBJWZQYIERLF-FQEVSTJZSA-N 518.592 2.904 50 40 KFGB CCOc1cc(/C=N\NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)ccc1OCC(N)=O 35999781 ATEMCEWLYRTAND-VYYCAZPPSA-N 527.603 2.759 50 40 KFGB COC(=O)[C@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N/NC(N)=O)C(=O)Nc1ccc(Cl)cc1 102933500 IALRHWGGNCMHPW-REIONHIVSA-N 505.318 2.637 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 408958628 ZNRXTEHMAUUNIZ-ALUCDORFSA-N 545.936 2.977 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(Br)cc1OC(C)=O 408979155 PGDSRYKUWOBLOU-MRUKODCESA-N 542.350 2.905 50 40 KFGB CC(C)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl 5179501 BRGPJZPHCVTNNI-FGZHOGPDSA-N 502.011 2.979 50 40 KFGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 26963831 YUXYUIPWCYAHGR-OXRZLYTFSA-N 507.528 2.666 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cccc(Cl)c1 28213286 BVCKBVVDEPWAGC-LGJNPRDNSA-N 518.979 2.545 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCc1ccccc1)NCc1ccco1 408604893 JAWJBRLDTDDURW-CCVNUDIWSA-N 527.375 2.546 50 40 KFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)c(OC)c1 408779576 YWFOFZWEGSKJSM-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 408879586 BWKUIERMCOJJIX-DDBXXPGKSA-N 552.653 2.738 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)c([N+](=O)[O-])c1 408948215 OZGDTNMCWISNCE-QFIPXVFZSA-N 511.560 2.788 50 40 KFGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1O 3058163 PHXRQZLBPGBHRB-CVKSISIWSA-N 511.556 2.513 50 40 KFGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 20212845 ZODYFMDRKBHUBZ-CVKSISIWSA-N 521.039 2.956 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)c1 408691175 YNWJKHIYGNXCNN-VPZWPZHPSA-N 556.251 2.953 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408870400 VFQPNYQKXNISLB-XODNFHPESA-N 576.981 2.513 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c(=O)c1C#N 409008290 VINCOBLYJJGGAB-IPPBACCNSA-N 501.543 2.651 50 40 KFGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)c1C 409251569 AIKVJVAQZMOKMY-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379872 AMMODAXCFWJEMF-RPWUZVMVSA-N 561.547 2.559 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 59472791 WJPVSCKTFAGNOV-WPWMEQJKSA-N 508.556 2.952 50 40 KFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 103001789 BIKGZCZAWGWPOA-UHFFFAOYSA-N 580.486 2.926 50 40 KFGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409310751 WINQFOQGEVBIKS-ZWKOTPCHSA-N 510.410 2.797 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1CSc1nc2ccccc2s1 3664537 TVNVRLRAXBUXJP-LSFURLLWSA-N 522.532 2.807 50 40 KFGB O=C(N/N=C/c1c(F)cccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 100418060 XBCJDZVPSRVUKC-JEWPKMHUSA-N 565.048 2.693 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408680257 HLGBBFZSRUSFCW-OALUTQOASA-N 526.343 2.523 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409156292 NKUKULGXLDKTLS-HNAPYZNHSA-N 608.433 2.761 50 40 KFGB C=CCc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc(OC)c1O 409198614 IPFGVKOSGURTFJ-KIBLKLHPSA-N 503.353 2.530 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCC 1529548476 HHIAGAHMAHUYPP-NIHGUFKWSA-N 526.615 2.979 50 40 KFGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)c1 100049383 WXDFIZQLGPEPKE-FJEPWZHXSA-N 551.552 2.829 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1 408610163 MNMQZFLIEOBKFF-WFMQBCDOSA-N 547.406 2.611 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1ccccc1 408833005 YRPIFMUIIFORBR-BSFFCRAZSA-N 661.762 2.918 50 40 KFGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)o2)cc1 409029271 XZVLNAWVRXMODR-ZVHZXABRSA-N 514.516 2.948 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC[C@@H]1CCCO1 409115762 KJBFJIAOAJWQFQ-CRQQIFMHSA-N 626.663 2.617 50 40 KFGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O 20061129 WWOOLFCYVVFAQA-FNVGFWRISA-N 508.600 2.687 50 40 KFGB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]21 408678595 BSFBLIZOJUMEMH-RFVSGWPVSA-N 540.370 2.769 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)NNC(=O)c1ccc(Cl)cc1 408683346 HXFPTLINKCGFHM-VJQWSGFBSA-N 564.809 2.928 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]12 408690633 WDULSPSWBKKFIE-NHRGSCSFSA-N 552.381 2.769 50 40 KFGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 408710591 NTFJXLHBMPAMGR-LSHDLFTRSA-N 528.299 2.633 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCC(=O)O 409373925 WWXVWQCNHJEUSU-FBHDLOMBSA-N 527.271 2.754 50 40 KFGB C#CCOc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 1529548769 NQQZDGSFJNRTNI-GSOYBGKMSA-N 536.610 2.592 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1 12658337 JIHCTSMQYBNVFK-UHFFFAOYSA-N 507.528 2.810 50 40 KFGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccc(OC)cc1 16948882 YLQMQMKXSYOVTD-QFIPXVFZSA-N 504.543 2.926 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 408609631 KSNATLQPVAVBMH-SPIWIXLJSA-N 502.955 2.502 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)c(OC)c1 408950636 HFEWINDBCTWWFD-AQZXLPCASA-N 605.000 2.541 50 40 KFGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 8860906 NILZPRWZVNWSBY-GXTWGEPZSA-N 506.154 2.514 50 40 KFGB COc1cc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 98044964 KXNGDQNIZWXBAE-GJZUVCINSA-N 538.564 2.621 50 40 KFGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408587033 DQOJGRKTVJKRJA-WSDLNYQXSA-N 509.304 2.598 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)OC)c(OC)c1 408953282 XIUBFYJDKJIHBY-XMMPIXPASA-N 696.520 2.737 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1 1529547963 SNJVCVPEONTZJF-CGGVTCGFSA-N 649.520 2.895 50 40 KFGB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408661743 HKEFJFAVIJAXPL-UHFFFAOYSA-N 534.363 2.737 50 40 KFGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408681437 JLIFZPASBHQAPU-VJAWVROJSA-N 551.599 2.908 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408874418 BGNOWBXMQWAGER-ZMFRSBBQSA-N 508.362 2.694 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1OC 409132877 RVKSPSWVOWOJKS-LGJNPRDNSA-N 515.519 2.917 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409152421 BBMCGMNGZWEXSG-CJOYWQKLSA-N 561.433 2.837 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409175988 WNWFGGHGYUFWMR-JLHUVHHFSA-N 612.396 2.592 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@@H]2C(=O)OC)cc1 409334513 SKQSYRIEYRNQNK-LEWJYISDSA-N 509.540 2.591 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](CS)C(=O)O 103517837 WOSYRGZUEPPFDW-AVMVCAIRSA-N 600.731 2.548 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408832183 XCULMWYNGPGBKC-OKCVXOCRSA-N 547.593 2.715 50 40 KFGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 408926867 RSRXRUZZHWMOAQ-MZJWZYIUSA-N 514.991 2.934 50 40 KFGB O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409014985 RCAVNYGADAPEAT-MTJSOVHGSA-N 510.288 2.565 50 40 KFGB COc1ccc(C(=O)NN2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1OC 9591416 IDDXCEUSFMUQIF-LPHOPBHVSA-N 506.914 2.760 50 40 KFGB COc1ccc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1I 28632527 MGIUETSMZXKVGV-UKWGHVSLSA-N 515.260 2.998 50 40 KFGB C=CCOc1cccc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c1 408957556 VBFCSHKFNGBFFC-JOQGDWRCSA-N 522.558 2.980 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)NCc1ccccc1 409158844 ZECNEURLXYBOLI-STBIYBPSSA-N 504.543 2.878 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409171032 YRAUGNNIOODBLZ-BRJLIKDPSA-N 503.353 2.536 50 40 KFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)c1 409185862 ROYYTVRZFDNAEQ-UXHLAJHPSA-N 536.654 2.957 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382715 OCCWPWDODSVCHJ-DHIUTWEWSA-N 561.547 2.578 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC 9846977 PRKHIVCUFROIIZ-VULFUBBASA-N 511.556 2.774 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)c(C)c1 20208065 ZZMLEFOVDCFUDO-WGOQTCKBSA-N 500.621 2.611 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 408998272 IRQFKKSBPMTZET-NDZAJKAJSA-N 545.596 2.520 50 40 KFGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409345350 LPEREFSWEPJREL-AZPGRJICSA-N 522.583 2.704 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(NC(C)=O)cc1 1529549141 SOPUAJNNQSGBLL-NSZYMRRGSA-N 509.588 2.530 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccc(Br)cc1 408864548 XDKIPRJRJGSBMZ-LGJNPRDNSA-N 563.430 2.654 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1C 409174166 LSVNHOVLGMTPDS-IDUTXGBLSA-N 547.406 2.529 50 40 KFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 409250396 KWWKAVWMFIUBJP-IPPBACCNSA-N 502.527 2.816 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@H]2C(=O)OC)cc1 409317760 RTWKPHIZEMFLJY-RTWAWAEBSA-N 509.540 2.591 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC)c(I)c1 1529547989 UTLYPNZXOWMMFD-RLONDSQRSA-N 666.494 2.728 50 40 KFGB CCOC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 150399053 JGNDXONLUYUXKG-OHSXHVKISA-N 706.840 2.951 50 40 KFGB COc1ccc(/C=N/NC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 150645092 AYBVVCGCLIOORI-YPXUMCKCSA-N 622.946 2.695 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408800511 NHBHNDMTIHNWEL-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OCC 408921477 AEHDUHRUKKZESG-HHSRISMTSA-N 540.573 2.823 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 408948700 DDKAILQEHQQMHG-HIHCNUKRSA-N 606.386 2.792 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 409153506 IFVKGWNSESOUSJ-JLHUVHHFSA-N 561.433 2.837 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1 409161538 VHSLPCYIISTVAD-FDAWAROLSA-N 548.596 2.929 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409272247 YBFHCHXVNFFNGY-JLHUVHHFSA-N 516.982 2.728 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c(O)c1 1809412 ZWZIYKAZZMBKMS-DHRITJCHSA-N 507.580 2.841 50 40 KFGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334077 PAHAPDZUOUCSEV-WZUFQYTHSA-N 507.122 2.991 50 40 KFGB COc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 150491136 FNVJLAHKTKFDNP-UFMRRADMSA-N 640.715 2.732 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408681111 FCUAZWBMTGLTOJ-RWVSCHPSSA-N 562.642 2.988 50 40 KFGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)c(Cl)nc2c1 20211386 ZQIGPDUXSBOZHZ-WYMPLXKRSA-N 506.968 2.830 50 40 KFGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 102994484 OHNHTVBTXWIYFJ-UHFFFAOYSA-N 529.380 2.733 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@@H]21 408690440 VJNWDWHDJPNBMF-HOWVWPRWSA-N 507.930 2.660 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC(=O)OC)cc2Br)c(OC)c1 408949194 DYYVRCQUNHHZTG-MUVTXZNDSA-N 663.478 2.738 50 40 KFGB O=C(CSc1cccc2cccnc12)NN[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 3330633 XCDBWGQHRVQNRG-MRXNPFEDSA-N 532.363 2.884 50 40 KFGB COc1cc(OC)cc(C(=O)c2c(C)c(C(=O)NP(=O)(N3CCOCC3)N3CCOCC3)c3ccccn23)c1 97984901 SILYXKGPTUDPAJ-UHFFFAOYSA-N 556.556 2.998 50 40 KFGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 103033533 NBFCMXLXIVDARA-OAQYLSRUSA-N 558.012 2.697 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 103898214 FDNVEAUYJYVDFC-PXFLCDOESA-N 610.689 2.723 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408690195 UFJHSWSLLSATCD-KDURUIRLSA-N 526.343 2.523 50 40 KFGB O=C(COc1ccc(Br)cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408741427 LXNAOQBIRVZQCR-XUMUCCENSA-N 554.220 2.757 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408873341 POYAKPDDQZANLC-VUTHCHCSSA-N 550.637 2.578 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCC(=O)N1CCOCC1 409020448 PLODTXNWJXOIEA-MNBJERMJSA-N 542.592 2.941 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1OC 59444265 SLFZPYRQUUOSQK-WPWMEQJKSA-N 525.583 2.786 50 40 KFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Br)cc3)nc12 100904229 QRWHUSWDSARGPZ-JMPLCFMRSA-N 543.399 2.768 50 40 KFGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 102994238 YZHUNMXJDQTVEB-UHFFFAOYSA-N 543.668 2.760 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 105583282 KDKRWQUJTUHZNX-NDZAJKAJSA-N 558.620 2.732 50 40 KFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1)c1ccccc1 409110829 YYGUNVRPRJLJDM-DVQSINOTSA-N 526.590 2.998 50 40 KFGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2OC)cc1 409151314 GAWQWLXLQSOMHQ-CCVNUDIWSA-N 626.448 2.707 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 409259018 WZPSDBBPAAQYCV-XDWZDTHNSA-N 517.380 2.520 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409388075 TZMLMPBSIVVBQB-DHIUTWEWSA-N 518.522 2.909 50 40 KFGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)c1OC(=O)c1ccccc1 2613021 GAORMTDVNZFSDS-WCMJOSRZSA-N 579.577 2.787 50 40 KFGB COc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)cc2)C=3C(=O)Nc2ccccc2)cc1 58987071 QISHHXPBHFKMOJ-HZRUTDPJSA-N 536.613 2.993 50 40 KFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1 59886023 FTGIFEBWRMOOLY-UPHQNKNSSA-N 542.614 2.678 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408875304 JDRHRMTZYCBRKS-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(I)o2)c(OC)c1 659917 KBJQIGYAJQDBRV-MVRBIIFYSA-N 582.351 2.613 50 40 KFGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 408679212 CJIDTLZDZIPTMT-XMCHAPAWSA-N 542.386 2.993 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)c(OC)c1 408925557 UTSRBBRDLNKMBQ-ALUCDORFSA-N 561.389 2.796 50 40 KFGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408926858 ZPDHKRBWQFKNFY-OGCGYOKDSA-N 508.531 2.590 50 40 KFGB Cc1cccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)c1 6088940 WPZJIXCHKPMYFE-UHFFFAOYSA-N 540.627 2.820 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 58881962 KEXWMRLJSSATDH-UXHLAJHPSA-N 516.554 2.690 50 40 KFGB O[Si](O)(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195996432 GNUDFFAIWWTFQK-UHFFFAOYSA-N 794.156 2.774 50 40 KFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(I)c(O)c1 409388730 WLBGRBPESBAYQT-FOKLQQMPSA-N 588.196 2.761 50 40 KFGB COc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccc(Br)cc1 102992915 LALNXJLMEFCSLJ-UHFFFAOYSA-N 572.397 2.570 50 40 KFGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253576109 VKPAVCILHIJICG-NWJFTTBMSA-N 547.058 2.554 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408691445 ZWMDBMYMTMHDIM-WCVJEAGWSA-N 530.213 2.653 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1 408923627 JUYRLKMJZAIGEO-FDBZCLHMSA-N 522.558 2.980 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 408995093 IVNWWRVSFXKMMX-MSXFZWOLSA-N 506.353 2.517 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)c(=O)c1C#N 28617620 FZUIHCSJLYBYCG-BMWVXGTQSA-N 514.901 2.709 50 40 KFGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cccc2OC)cc1 408606791 AZZOWPJWBUCTPH-OCSSWDANSA-N 534.569 2.887 50 40 KFGB O=C(CSc1cccc2cccnc12)NN[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 102921437 XCDBWGQHRVQNRG-INIZCTEOSA-N 532.363 2.884 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409157828 NOVCEOVNECMYPB-HBPDMVEESA-N 608.433 2.679 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1OC 409160306 UBLDIDGRFSFXRC-KBVAKVRCSA-N 548.596 2.847 50 40 KFGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409382059 KBZMXVKWIHNXTP-FCHUYYIVSA-N 549.492 2.508 50 40 KFGB COc1ccc([C@H]2C(C#N)=C(S)N([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(C)=C2C(C)=O)cc1 5956515 GBZRSUBGIAAIIR-IDYHQMMXSA-N 630.672 2.705 50 40 KFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408829141 OCARVLSXZJFTPA-FCFFNXBQSA-N 642.756 2.621 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 15978456 NDFHRUBVWHAGAJ-JKSUJKDBSA-N 523.999 2.605 50 40 KFGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)NNC(=O)c1ccc(Br)cc1 408650516 BEAIPZSCDJEWOL-CYBMUJFWSA-N 539.180 2.569 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1C 408681017 IUBKIJNKTMLKDE-MVXJNQHVSA-N 542.224 2.563 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409151882 HXCCXRPHNMZUOS-MUKDWXQFSA-N 614.824 2.716 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 59246848 YDKHATVMWJURJW-FMCGGJTJSA-N 507.341 2.727 50 40 KFGB COc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)Nc3ccc(OC)cc31)C(=O)N2 100840570 REHGYWMNDSOTNW-UHFFFAOYSA-N 534.573 2.680 50 40 KFGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)nnn1-c1nonc1N 102445978 ZNNYVDSGQLSCDJ-XODNFHPESA-N 578.590 2.642 50 40 KFGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408689751 SNTVCNKMLHOMJK-WITHRNOMSA-N 532.218 2.959 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408876532 LYCWVWVCGOAZAN-DBFSUHOCSA-N 546.367 2.616 50 40 KFGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1 409310728 WINQFOQGEVBIKS-MSOLQXFVSA-N 510.410 2.797 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409338447 KEHSLRYTIJMPSE-PBBVDAKRSA-N 552.609 2.795 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 2175833 JDOFGYNUBPZCMU-JVWAILMASA-N 538.582 2.770 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408774564 WLCWPCNXRZFSBT-WGOQTCKBSA-N 511.556 2.836 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1Br 408841810 LQSFIUXAZXQCOL-LGJNPRDNSA-N 563.430 2.654 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccccc1 409169345 PPQOSLSZURSHLW-VFLNYLIXSA-N 538.944 2.861 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1OC 8819503 GWOWFTUEVPMVLJ-RGEXLXHISA-N 521.642 2.695 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 408611435 QYBKLKNIIREZHZ-YSURURNPSA-N 511.760 2.715 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 409110844 HENQVCYLDFYOTG-RWPZCVJISA-N 559.572 2.968 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1OC 409256628 MKSZJQDYCCPNGQ-OCSSWDANSA-N 518.570 2.839 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccccc1Br 100858403 COPLHVYWQLFCDE-XKZIYDEJSA-N 544.269 2.668 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)c1 408691172 YNWJKHIYGNXCNN-FSMQDNEQSA-N 556.251 2.953 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(NC(C)=O)cc1 408950883 SOPUAJNNQSGBLL-HSZRJFAPSA-N 509.588 2.530 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1OC 409168107 KDZPJLDZZJUOOZ-VTNSRFBWSA-N 553.015 2.861 50 40 KFGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 409265538 TUQDFBOSAJSLLN-SDHJZUEUSA-N 531.407 2.829 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C\c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC 97962864 HALUGYKTCVIYIY-BVMLUPFRSA-N 581.578 2.838 50 40 KFGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 100067263 YISMHKFMFQFXHM-ZBCDYPQOSA-N 503.577 2.735 50 40 KFGB CCOc1c(I)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 105511405 CIGYCYMMAVXOLB-YSURURNPSA-N 538.342 2.949 50 40 KFGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCCc3ccccc3)cccc2OC)cc1 408612770 YQITYRXROFPYTR-STBIYBPSSA-N 504.543 2.530 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1 408836028 PIFFUSMKUKOWIZ-FDVSRXAVSA-N 530.541 2.740 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Cl)cc1 409384785 FOVPYIBWAZUGRE-PMACEKPBSA-N 510.886 2.637 50 40 KFGB CCOc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 105584858 SBZWQKNSTPRORE-WBDWPWCHSA-N 600.719 2.698 50 40 KFGB O=C(COc1cccc2cccnc12)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408744054 YJYQEIBOQQKSJP-HDDDNDSPSA-N 526.372 2.542 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409160531 QZDMBLXORMAMLK-RFJLOWGHSA-N 561.433 2.919 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccccc1Cl 409255485 KXJSJFDGRKQXSQ-MZJWZYIUSA-N 504.971 2.748 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 28212983 NQPVEXYPJHZPIO-LQKURTRISA-N 524.599 2.603 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59646225 FXPKOZSIUGMPPB-CVKSISIWSA-N 526.571 2.713 50 40 KFGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 100376144 DWLMOKZBJLGUAO-DICXZTSXSA-N 533.006 2.537 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 100781292 BGYZZUPIXBTHQV-JURHCCSVSA-N 568.664 2.640 50 40 KFGB biogenic Cc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408690989 XPAIYXULYNXPLI-RYNGGCCYSA-N 542.224 2.643 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(C)c2)cc1 408870202 VNNZPZDXEHQSCW-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)c(I)c2)c(OC)c1 408957773 VVRZQPOXKRJIOO-OHPKEMRTSA-N 647.426 2.922 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 408609179 JOJCOCLBWHKAGR-OPEKNORGSA-N 517.380 2.821 50 40 KFGB COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)NNC(=O)c1ccncc1 100338508 MNDKSOVYLVJXNY-NSCUHMNNSA-N 514.199 2.964 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1 408686418 NBBJWUUTQIRYON-MQYQWHSLSA-N 536.604 2.744 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408841990 NBKNFHSUXLFRGO-JBIOKXMTSA-N 595.634 2.614 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)CC1 103778422 UUZWVKCAMBQAMI-FKBXNUFCSA-N 543.624 2.750 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 103896171 QKNWWGZVUQMTCK-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409383045 TXAGVAOAWGAUCL-ZEQRLZLVSA-N 561.547 2.559 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59646775 LOOAOQIWOSKCCZ-DHRITJCHSA-N 542.526 2.686 50 40 KFGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 100309574 HQOMWLLWKUMCBA-UCMJSZAQSA-N 546.624 2.641 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Br)c2)c1CN1CCCc2ccccc21 102278208 OKNLHJIBANXATM-ROTLSHHCSA-N 522.367 2.712 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 408874884 BTABWQKUWWCXDW-MUFRIFMGSA-N 559.044 2.960 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCC#N)c(OC)c1 408958421 YSZAQNIUEIJCLY-DFSPORNYSA-N 555.975 2.971 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409157723 ROYZHSAHMDOSBB-XODNFHPESA-N 614.412 2.838 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1 409164070 CCXYXMXEQNBBEL-FJEPWZHXSA-N 548.552 2.607 50 40 KFGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409382845 RYJVDKMMZZOCTL-YADHBBJMSA-N 549.492 2.508 50 40 KFGB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102994815 LPITZZSZFYHXPG-UHFFFAOYSA-N 545.961 2.630 50 40 KFGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(I)c1OCC(=O)O 408904235 GWWSWBIGZYPGGS-WNFQYIGGSA-N 518.691 2.946 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(C)c(OC)c2)c(OC)c1 408948560 CUHOKYGJFJQKQW-SJYQVLOXSA-N 510.547 2.732 50 40 KFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 13095579 GDTXFYNTSRJRST-UHFFFAOYSA-N 505.980 2.681 50 40 KFGB C=CCOc1cccc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c1 408957557 VBFCSHKFNGBFFC-MFWMZXBCSA-N 522.558 2.980 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OCC)c2)c(OC)c1 408958438 YVDMGXRANASAQZ-XGVLDKRDSA-N 526.546 2.520 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409153893 IVHMEWRITFTPRP-BHGWPJFGSA-N 505.369 2.758 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)=O)c(OC)c1 1529547643 NIEAGGXMLCJAAR-GLYQIKNISA-N 540.598 2.506 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cc2c(cc1Br)OCO2 1920547 YGQMDINHACJBLL-ODCIPOBUSA-N 533.320 2.883 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 58881946 BEPYAPQJSXYSSY-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1cccs1 100745886 LHUOSFJZHJWCKS-QOXRCMQPSA-N 544.637 2.594 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(OC)c1OC 103897272 DFIQVEJAUFBTQO-UXHLAJHPSA-N 593.662 2.856 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409166049 CFEFBCIIPXAQMX-KBKYJPHKSA-N 578.407 2.971 50 40 KFGB C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 33045662 SBQKHRWNSSUBCL-TURZUDJPSA-N 525.583 2.938 50 40 KFGB COC(=O)CN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 97972332 VYQUWECQUUMRNG-CSIDJQDRSA-N 542.548 2.515 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccccc1 408612438 VJXLLPISUNGGPK-WYMPLXKRSA-N 503.353 2.594 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)c1 408684036 JFMCFHJBUKWIBC-VYMODODKSA-N 556.251 2.952 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1 408864771 ZTCKMKKBCHILHB-LQKURTRISA-N 529.018 2.952 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)cc1O 1529545128 XVDKKDUCTWQIKT-YTIKMCPMSA-N 610.430 2.587 50 40 KFGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1OCC(N)=O 408915371 XUZDCXLLKWVJRQ-YSURURNPSA-N 525.343 2.700 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OC)c1 408950301 RXBWAQVKZAKWJG-XMMPIXPASA-N 605.069 2.785 50 40 KFGB Cc1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 8399088 OGYIOUNNGDSNQN-UHFFFAOYSA-N 614.291 2.751 50 40 KFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(=O)OC)NC(=O)[C@@H]2C(=O)OC)cc1 12250484 VIPMBTYGPFQHJS-FGZHOGPDSA-N 523.567 2.982 50 40 KFGB O=C(COc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 100479146 TWSKKELNTKQXRL-BKHCZYBLSA-N 520.458 2.561 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(Cl)c1 408690579 VZMXDXKLYQCRBI-PWTXATHPSA-N 562.642 2.990 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408730861 JPBCFYJBZGCHCV-ODCIPOBUSA-N 580.320 2.725 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C 408677007 DQEJSTBUTJVMKF-VTAJJLHNSA-N 542.224 2.563 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408683063 HHSDZTWSJSEGGO-PYHGIMPFSA-N 530.213 2.707 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1C 408690712 WLXMRQCNPVHNQJ-JNYDFHNISA-N 556.251 2.953 50 40 KFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1OC 408858783 LUZRBIWIEKZDGH-ZMOGYAJESA-N 556.435 2.956 50 40 KFGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2)ccc1Br 409259236 XMLXIBXBUVUPOK-XDWZDTHNSA-N 517.380 2.520 50 40 KFGB O=C(O)COc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409373391 RCSQKARQLNGFKC-ZBKNUEDVSA-N 609.114 2.960 50 40 KFGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 1812492 KDVDRFWWIVKBAT-YSQJQCAUSA-N 512.522 2.621 50 40 KFGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cc(Br)ccc1O 2745506 MMHZXJLZEMHAFD-FOKLQQMPSA-N 527.408 2.968 50 40 KFGB COc1cc(/C=N\NC(=O)CCCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 35153358 UBORDEBYKPOPHE-USYBVIFISA-N 530.578 2.899 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 103900041 KJVHSJZEIZAWFR-NDZAJKAJSA-N 580.663 2.587 50 40 KFGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 408755057 MHOMBVZRIZVHGW-RVDMUPIBSA-N 522.333 2.891 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)OC)c(OCC)c1 408938709 AARGDFDMKFGIPF-SANMLTNESA-N 584.651 2.522 50 40 KFGB O=C(N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NNCc1ccc(-c2cccc(C(=O)O)c2)o1 12428665 JDIQCDUUDIATLH-WKIKZPBSSA-N 516.466 2.874 50 40 KFGB COc1cc(/C=N/NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 97981102 CYFWZVSHQDLANH-MIHYEXDHSA-N 600.613 2.507 50 40 KFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 101006043 YKTDCRPWPRVDIY-PDGQHHTCSA-N 528.568 2.824 50 40 KFGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408777115 VMFALMNJTBDHLE-KAXMYJSTSA-N 570.693 2.690 50 40 KFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)c1 408872825 JKERZHNKFHKKFR-STBIYBPSSA-N 522.627 2.915 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(N)=O 408972759 WNVFRZWMOFIYIW-CJOYWQKLSA-N 563.449 2.690 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cc(C)cc(C)c2)cc1OC 408829095 NTUVYJDXZSYOFC-WKULSOCRSA-N 554.625 2.530 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408874286 ZTMLZMHELLSCFQ-OJANRJRPSA-N 595.634 2.614 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1 408923638 JWEWTFUPOAAPBZ-FDBZCLHMSA-N 523.590 2.871 50 40 KFGB NC(=O)NN=C1c2cc(S(=O)(=O)NCc3ccccc3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)NCc1ccccc1)cc2[N+](=O)[O-] 158972600 IBFPVECIGQVYJZ-UHFFFAOYSA-N 665.666 2.861 50 40 KFGB C=CCOc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cccc1OC 408954783 NNIAZTCKBKIAJM-ACHZEZRCSA-N 552.584 2.989 50 40 KFGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(I)c1 408960401 FNOWPQCTNVDXIA-ZMOGYAJESA-N 516.339 2.869 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409250346 NERTWROVZQRFCO-AUWJEWJLSA-N 534.310 2.728 50 40 KFGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](Cc1ccccc1)NC=O 4707717 IGMJUMLGHIBRFY-DHIUTWEWSA-N 508.446 2.918 50 40 KFGB CSCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)Cc1ccccc1)C(=O)NNc1ccccc1 5699329 UQEUZSKJIFIONU-NHCUHLMSSA-N 524.734 2.609 50 40 KFGB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)CC2)cc1 8743519 LECSRTCAOBGDTI-QZPFXSPMSA-N 528.613 2.540 50 40 KFGB CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)/C(C#N)=C(\C)N 97979076 FLRLRUHTWHUNER-ZAQQZEBGSA-N 562.442 2.832 50 40 KFGB O=C(N/N=C/c1ccc(I)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408855933 AANAGEWTZRUJGU-FVOVHSBVSA-N 507.737 2.841 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409168679 OEBWXTXGKLXBCQ-WAOIHUCGSA-N 547.406 2.529 50 40 KFGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(N)=O 409253947 COESOBWZXOBTTO-WNFQYIGGSA-N 532.132 2.690 50 40 KFGB NS(=O)(=O)c1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)ccc1Cl 3438211 NPABGLJWJCMAAJ-KPSZGOFPSA-N 511.579 2.982 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc2ccccc12 20215071 DXDSEIAMUJCGMS-PCLIKHOPSA-N 511.560 2.501 50 40 KFGB COc1cc(/C=N\NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 101025530 CYFWZVSHQDLANH-NORXXVMPSA-N 600.613 2.507 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](C)C(=O)O 102012985 NXGNMVVABGFORM-UFFGEHKFSA-N 568.664 2.638 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 408773043 OZHNGABRWVFXCI-NUJZUDFISA-N 553.959 2.762 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C[C@H]3OC(=O)c4ccccc43)cc2)cc1 2655534 KMVJARSWVZNHDE-HSZRJFAPSA-N 507.568 2.879 50 40 KFGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1c(CN2CCCCCC2)nnn1-c1nonc1N 8873259 LJFPVJTZNXRACJ-YSURURNPSA-N 508.370 2.688 50 40 KFGB O=C(NN=C1CCCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 20214657 ONGJJGSTNATWHF-HSZRJFAPSA-N 518.661 2.577 50 40 KFGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 105584854 SBZWQKNSTPRORE-MIAXLKPRSA-N 600.719 2.698 50 40 KFGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)C2=O)c1 408537121 UOEJFBISZTWZOW-FEGPCZTRSA-N 513.510 2.871 50 40 KFGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OCC(=O)NCc1ccccc1 408609461 JUHMZHMKJAGUER-OKCVXOCRSA-N 508.962 2.810 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409170755 XBJZXJJAXYPYAL-CJOYWQKLSA-N 561.433 2.837 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 17307460 DFSICQVPFWZDFN-UPUQCOCPSA-N 543.208 2.589 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59646648 BMMIJIBZCJXUSL-LQKURTRISA-N 555.609 2.910 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104379518 IPSJTJIXZGYCIB-XUQNZXSMSA-N 562.645 2.849 50 40 KFGB COc1cc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1I 408747126 JKJRKXPMWULAGB-IAAMAZNWSA-N 556.769 2.733 50 40 KFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)c2ccccc2)cc1 20060752 FQHBONHRADYDQU-WPWMEQJKSA-N 525.583 2.983 50 40 KFGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1OC 100585717 VDVAVZZQAVIOCP-CBZRZELWSA-N 544.406 2.737 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1 408784155 SUSAFGKDNYUDGF-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1OC 408870456 DYEYGJWUPTYJEW-RWPZCVJISA-N 558.588 2.777 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OCC)c2)c(OC)c1 408926420 XZCFITIBQOVWET-CKWAUKHYSA-N 540.573 2.823 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1Br 409003900 VVMRBTQRVIBMJV-PXGAOIJESA-N 685.338 2.958 50 40 KFGB COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)N1CCOCC1 409014037 OPFDWLWJPUIGQE-BHGWPJFGSA-N 571.222 2.927 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409166697 GAHMQWJFRLTNKN-RFJLOWGHSA-N 608.433 2.761 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@H]2C(=O)OC)cc1 409320782 CHSQCYIRXBLGDQ-PKTZIBPZSA-N 519.579 2.529 50 40 KFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1 8721613 JVPIAXRCCRPZCA-DVQSINOTSA-N 526.590 2.998 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2)c(OC)c1 408922108 FDICVMFMCXWUPB-NRDUTDNZSA-N 510.547 2.814 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)c(OC)c1 408957793 VZQLDHIURDLVHM-ZGVXQSDHSA-N 546.964 2.783 50 40 KFGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NC[C@@H]3CCCO3)o2)cc1 408878414 ANFPITHZRJWHIS-KIKHOGTISA-N 538.626 2.724 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409317756 RTWKPHIZEMFLJY-LEWJYISDSA-N 509.540 2.591 50 40 KFGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 16268447 IKFQBLRFJATPEE-YSMPRRRNSA-N 511.604 2.832 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 27527994 PPGDRODPKLLVDC-OVVQPSECSA-N 503.584 2.830 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cccc(C(F)(F)F)c1 408858771 PLEXRPCILSSBNB-VFLNYLIXSA-N 552.531 2.910 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408877860 XJWQAQZRMRGGKL-WUQZZNSYSA-N 568.627 2.845 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1O 408952084 VHTOYKOZVWDDNC-NRFANRHFSA-N 624.457 2.890 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409130995 JCCDRGTYOQRNEV-JVWAILMASA-N 541.582 2.601 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409388078 TZMLMPBSIVVBQB-PKTZIBPZSA-N 518.522 2.909 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)c1 19951431 LVOLAPXWNWSELA-WGOQTCKBSA-N 511.556 2.975 50 40 KFGB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)c2)cc1Cl 25423905 REVASAXNCGAPCU-DTQAZKPQSA-N 507.952 2.664 50 40 KFGB O=C(N/N=C/c1cccc(Br)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 103583220 ZYEKPKQENBVWSZ-OINMWHHXSA-N 591.509 2.663 50 40 KFGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O 20061175 VWUDTKQLOKPQCX-LBGKPPMZSA-N 522.627 2.729 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1 409251716 BEZKVDCUKIVECF-SIQOIFSASA-N 502.955 2.502 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70699398 YWMSBTBFCOTHTB-YYHPXQTNSA-N 592.598 2.729 50 40 KFGB Cc1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 102998183 IRDQVUSNXDUPDZ-UHFFFAOYSA-N 544.655 2.542 50 40 KFGB CC(C)COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584755 XKTGMLNYLRWPEB-SVQVGOSPSA-N 584.720 2.936 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408780688 ICWDYXXDZQGTBT-WPWMEQJKSA-N 548.581 2.738 50 40 KFGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 28212929 KGGVVSKNSIAAIC-MZJWZYIUSA-N 514.991 2.858 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(I)c1O 59483784 FGELJZZABCIPPI-LSHDLFTRSA-N 501.708 2.815 50 40 KFGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)ccc1OCC(N)=O 100311033 ZEBVFSKCAKZRKH-CCVNUDIWSA-N 561.580 2.958 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408675913 CFAGJOUYDJICFC-VTAJJLHNSA-N 542.224 2.509 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 408882171 LMDGGWSRIKTHQU-JVWAILMASA-N 541.582 2.601 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)c(OC)c1 408976197 QIVTZCHAQHPSLH-MFKUBSTISA-N 512.544 2.953 50 40 KFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1 8721614 JVPIAXRCCRPZCA-UPHQNKNSSA-N 526.590 2.998 50 40 KFGB COc1cc(/C=N/NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 97981103 CYFWZVSHQDLANH-KIZAIXKYSA-N 600.613 2.507 50 40 KFGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408689750 SNTVCNKMLHOMJK-VNUXUXBQSA-N 532.218 2.959 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(OC)c2O)c(OC)c1 408924020 MUASRAXMQXQDSP-IVCWAIIXSA-N 577.388 2.502 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2)cc1OC 409123539 CMYOHGYIIAPUAW-PXFLCDOESA-N 610.689 2.723 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 28213341 JDVAFDOZEGBMRL-JVWAILMASA-N 524.599 2.937 50 40 KFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1 20060411 ZNADBQQBVFZLRP-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 20214553 UMQQOEKEGYCBSO-PCLIKHOPSA-N 509.613 2.892 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OC 408856990 IZZQUUCBNDBERF-TUJXVDMFSA-N 651.561 2.680 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccccc1 409259326 YTZLSEGMYLVJDB-WCNLIYRBSA-N 502.955 2.502 50 40 KFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1OC(=O)N1CCOCC1 9860954 XZJIQYHNWOUSCB-HXUWFJFHSA-N 517.498 2.863 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccccc2)cc1 59472861 BCHUOCHDIYLVLL-WPWMEQJKSA-N 525.583 2.983 50 40 KFGB CCN1C(=O)/C(=N/NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccccc32)c2ccccc21 100840563 LTAQJCHXWARNLF-AMLXCYGQSA-N 502.575 2.711 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409159436 UCGBMBUQIFRTDI-BHGWPJFGSA-N 505.369 2.758 50 40 KFGB COc1cc(C(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)ccc1I 103610421 JYXJVSZGMWSAAW-MXAYSNPKSA-N 546.365 2.877 50 40 KFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 408860706 CHKDRIOWWBVAMM-TWKHWXDSSA-N 564.664 2.832 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409002165 YKVBMCCZFKMHKT-JJFYIABZSA-N 538.311 2.849 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409263099 LOYHEDIIGIPETR-LZKBWWOWSA-N 502.955 2.502 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br 1529548032 WEQOHOUQKQALMB-JOOOUNGUSA-N 649.520 2.895 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(OC)ccc3OC)cc2)cc1 58881934 XFIDUMWNBFWYQX-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O 248334532 LRXYHMMJJCTUMY-MUDKIMMKSA-N 511.575 2.855 50 40 KFGB biogenic CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC#N)c(OC)c2)c(OC)c1 408955503 OTICTHVVIACMLB-YIBCAPORSA-N 677.452 2.931 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OC)c1 1529547248 JWPWEIXVMBIYCE-MCBYZNMFSA-N 624.457 2.890 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 100145286 OWUCMCQNARIIKF-NTFVMDSBSA-N 551.625 2.742 50 40 KFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(N)=O 409223789 HVSFXCVEISWTAC-NTUHNPAUSA-N 507.284 2.805 50 40 KFGB C/C(=N\NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OCC(=O)N2CCCC2)cc1 12640789 NIHYASVCGIENIP-HTETZYSCSA-N 526.659 2.937 50 40 KFGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408681434 JLIFZPASBHQAPU-GYFFGYLLSA-N 551.599 2.908 50 40 KFGB COc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)cc2)C=3C(=O)Nc2ccccc2)cc1 58986668 QISHHXPBHFKMOJ-NHOMFQCRSA-N 536.613 2.993 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(I)c1)S(C)(=O)=O 408777753 HTWONZJSHLGSOW-KGENOOAVSA-N 515.373 2.996 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 408860570 YTKIJBAXPYCWKM-MZJWZYIUSA-N 530.990 2.558 50 40 KFGB O=C(O)COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c1 409001581 JFPJJLHCQOLXLS-QVGKIPNLSA-N 607.426 2.795 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409261347 AMZCLPHLOHVKFX-MUKDWXQFSA-N 523.373 2.765 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@H]2C(=O)OC)cc1 409334515 SKQSYRIEYRNQNK-RTWAWAEBSA-N 509.540 2.591 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408683813 IXCBTZFGMSHBCV-ZLWAIGGYSA-N 572.250 2.735 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 409373405 RPTYAKRKWDJMTI-JJFYIABZSA-N 541.298 2.843 50 40 KFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408824869 ATIHTLMPNAFMAD-WYMPLXKRSA-N 517.361 2.918 50 40 KFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 12371198 NWLMQQCCWXTUNV-MZJWZYIUSA-N 506.471 2.711 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408828215 LNKVYOAUYCDDJW-JFLMPSFJSA-N 528.562 2.768 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(Br)c2)cc1 408861126 NOSBJSRBABDQET-MZJWZYIUSA-N 559.442 2.967 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(I)cc1 409025699 YXFPQJBDBQIQRO-UFFVCSGVSA-N 545.424 2.702 50 40 KFGB N#CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409128653 SXRDLTOLDLROIL-LQKURTRISA-N 524.530 2.845 50 40 KFGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Br)cc2)c1 409383562 ZZAJBEAHSKUDQT-FGZHOGPDSA-N 615.389 2.763 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 13129861 IWCFQAHCEONAJN-UHFFFAOYSA-N 516.601 2.686 50 40 KFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c(O)c1 108913626 NMKHXAIAPOYQHL-HHSRISMTSA-N 539.589 2.577 50 40 KFGB CCc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408685580 LPYNNSPMARVRDH-ZKOVTCOQSA-N 556.251 2.897 50 40 KFGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408767047 HZXLOFWZVFACCW-CFRMEGHHSA-N 504.952 2.899 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382798 OZGNQAREEKYJKH-LOSJGSFVSA-N 575.574 2.949 50 40 KFGB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)cc(OC)c1 20287371 XXYSJNZAFWODEB-BKUYFWCQSA-N 509.544 2.788 50 40 KFGB COc1cc(/C=N/NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)/C=C1\SC(=O)NC1=O 97981100 HCQYIOFFCNYVIL-NCFNWFKISA-N 598.597 2.632 50 40 KFGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)NNC(=O)c1ccc(Br)cc1 408650517 BEAIPZSCDJEWOL-ZDUSSCGKSA-N 539.180 2.569 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408691415 ZUANEARCDZCCRN-IPIVWIDTSA-N 614.287 2.902 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408875105 DATPLNRXPYIZAN-VJLPIKFPSA-N 655.686 2.632 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59646461 FRXGSGTWEFZZFE-AFUMVMLFSA-N 526.527 2.956 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857143 QGOZYBXMYYVRLZ-CVKSISIWSA-N 558.569 2.975 50 40 KFGB CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](CCCNC(N)=O)C(N)=O 222860943 UQRQGHMQKAXOTE-DHIFEGFHSA-N 737.767 2.572 50 40 KFGB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)c1ccc(Br)cc1 408648627 ZZGXVWVOENWHHR-UHFFFAOYSA-N 519.373 2.771 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408683807 IXCBTZFGMSHBCV-JWIFSJIDSA-N 572.250 2.735 50 40 KFGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409257631 RKQPCRSVJLHOKV-IPPBACCNSA-N 502.527 2.816 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 15223367 HKOMFCMLKZMNNA-JVWAILMASA-N 525.583 2.816 50 40 KFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccccc1 28213438 ZCDDWUQRQPKCQX-DVQSINOTSA-N 526.590 2.998 50 40 KFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(C(=O)O)cc1 103865237 ABYPWLVZLOQQRB-MXAYSNPKSA-N 567.380 2.749 50 40 KFGB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccccc4)CC3=O)cc2)cc1 408663484 YKHLTWKZLJXPPP-IBGZPJMESA-N 503.511 2.845 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 408779191 BQAZNDDLPBPJBL-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)cc1 408799230 KAICBWRMQYBVGQ-ZMFRSBBQSA-N 526.347 2.694 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(C)(=O)=O 408832510 QZMIWALMYFHPPY-ODCIPOBUSA-N 518.773 2.756 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCC(=O)O 408979651 NREHBPPIBBCASR-JMJNUIHMSA-N 501.536 2.719 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(I)c1)S(C)(=O)=O 408779082 QMLULMXUXABSTF-KGENOOAVSA-N 515.373 2.915 50 40 KFGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1 408612625 WFOHCLSCQAZUQJ-XODNFHPESA-N 527.375 2.812 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408688126 PZBFHFQTYGRPAC-YUEHCAIXSA-N 525.385 2.591 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OCC)c1 408940631 CQRSITBVVVJVKQ-XMMPIXPASA-N 526.615 2.979 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2)cc1 408980016 PMUOSFCUAMEMFM-CVKSISIWSA-N 508.556 2.684 50 40 KFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 409028751 RITUCTMPFSURJL-TWKHWXDSSA-N 564.664 2.832 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409155595 LUQZCCYNHLFKGU-OPEKNORGSA-N 564.380 2.663 50 40 KFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccc(F)c(Cl)c1 409249912 JRXYLVMJFGRKDP-XKJRVUDJSA-N 526.908 2.992 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 409368180 OJYYGNWENIBQDU-FOKLQQMPSA-N 539.326 2.964 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1 408862125 FNPMCCQDBDVGNB-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409122336 YAEIVUOVURHROT-LQKURTRISA-N 571.608 2.992 50 40 KFGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 409263394 MKUPPDWDKQMLEL-OCVIWRJKSA-N 531.407 2.829 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1Cl 408683967 NWHVDXREJLCGQW-DQOWRFHUSA-N 548.615 2.600 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)O 408749052 KQAIDTBZBIIHCG-AWQFTUOYSA-N 513.244 2.825 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408958613 ZMHGFCZPPNPQFO-UHBQPSNTSA-N 694.479 2.962 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408684981 KQRNQBFVTMXNBE-PBDPTEOLSA-N 562.642 2.988 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 408978092 GZHZKOOUKKYHPZ-YZSQISJMSA-N 523.571 2.937 50 40 KFGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1cccc(I)c1 409025844 YGRQDURDGHVDMR-XDHOZWIPSA-N 516.317 2.506 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCC(=O)N1CCOCC1 409254742 JGGWLWLUVLYYHN-RGKQAONTSA-N 573.444 2.589 50 40 KFGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)C2=O)cc1 408533253 JRWIPRWUIDUZFR-SQEMJAKJSA-N 513.510 2.871 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1Cl 408682992 MDWQJLDJOGZDFS-MXMMTARNSA-N 562.642 2.908 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccccc1Cl 408684710 KIXAFVREXHXLNV-USZNOCQGSA-N 536.604 2.744 50 40 KFGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408790496 PQRCLFOWLLOWSN-FMCGGJTJSA-N 535.376 2.618 50 40 KFGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408879551 BTAUEZCJTXCDCW-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cc([N+](=O)[O-])ccc1O 408918078 FUJOAVAYSVATQU-FMQZQXMHSA-N 553.050 2.979 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(F)cc1 409150163 AABADVXOSXAISE-AMVVHIIESA-N 536.516 2.737 50 40 KFGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccccc2)c1 409377731 JIGZQGCBNLBKOD-VXKWHMMOSA-N 504.495 2.600 50 40 KFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 20061220 KYODYGHIODVUPW-QZCBGFPPSA-N 530.647 2.781 50 40 KFGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)c1 408535960 PGRZXUBQVJWLLQ-SQEMJAKJSA-N 513.510 2.871 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408666571 RBDWVFKRNBGHEO-UHFFFAOYSA-N 548.390 2.985 50 40 KFGB O=C(NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(COc2ccccc2)cc1 13129064 CXEDNKWZBUOHCP-UHFFFAOYSA-N 512.544 2.952 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 100996886 PCRPATDPWQFKRN-RPPGKUMJSA-N 564.380 2.686 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 102993834 APAQJTGDOOSRGD-UHFFFAOYSA-N 599.518 2.862 50 40 KFGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cccc2OC)cc1 408616068 VKJALEBTXRCHCF-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 408954110 NAGYCZMYHTVEDV-JXHYGPBUSA-N 525.518 2.632 50 40 KFGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028236 JYNUWFBGCZBCBR-NLTKLDOMSA-N 510.572 2.648 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)c(OCC)c1 1529544744 NENXDWRZSRNNSQ-NSZYMRRGSA-N 512.588 2.676 50 40 KFGB Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)s1 1825539 XZDHQKFWUWITAJ-SSDVNMTOSA-N 521.353 2.942 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 6073815 SDFIFAQGRKDDPL-WPWMEQJKSA-N 553.597 2.946 50 40 KFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)cc2)C[C@H](C)O1 100816493 SOFYTQOYPDKKTN-VINFRAOFSA-N 541.380 2.625 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 408843131 RMLLHLHBTUJYBA-NDZAJKAJSA-N 552.653 2.739 50 40 KFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1 408866512 HSWJKSHFFPUAIR-ZMFRSBBQSA-N 526.347 2.694 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)cc1OC 408940237 CAKONOCZXXRWDF-HSZRJFAPSA-N 512.588 2.589 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409383561 ZZAJBEAHSKUDQT-FCHUYYIVSA-N 615.389 2.763 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1F 103864879 JGKCPLIDTCPTOU-MSXFZWOLSA-N 527.334 2.800 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N\NC(=O)c1ccc(Cl)cc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150387155 YUPDSCFYOHAMPZ-QVZWOMTESA-N 680.110 2.899 50 40 KFGB O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408779501 XLHIZRDLUUDWBZ-DYIFSOBNSA-N 578.672 2.760 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)OC)c(Br)c1 408952095 VINVNHWXFHGRHF-XMMPIXPASA-N 619.494 2.886 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 4178364 DFSICQVPFWZDFN-LZVXQSAGSA-N 543.208 2.589 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 102446624 MAYVDNJTFPNSRB-IPPBACCNSA-N 606.600 2.673 50 40 KFGB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 112231910 MRIDPSUMTAEBQN-BKUYFWCQSA-N 539.570 2.796 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)cc2)cc1 408862057 HXPVESGYHQYOKV-LQKURTRISA-N 570.624 2.646 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)ccc1OC 408945582 LBVPAKYSWAQNCE-HSZRJFAPSA-N 512.588 2.589 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)OC)c(I)c2)c(OC)c1 408954056 MUBKQBJKCFVTCL-JOOOUNGUSA-N 680.452 2.572 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 28213120 BGQRUSGGRYGFHY-JVWAILMASA-N 524.599 2.937 50 40 KFGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584732 SOIBTDGGFUFJDU-UIZNLQPJSA-N 570.693 2.688 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(OCC)c1 408946967 NENXDWRZSRNNSQ-HSZRJFAPSA-N 512.588 2.676 50 40 KFGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccccc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409377729 JIGZQGCBNLBKOD-FCHUYYIVSA-N 504.495 2.600 50 40 KFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 103865036 JFAYVEINHVHMCN-ZMOGYAJESA-N 568.368 2.959 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC(C)=O 408751668 BHSYGTYGHPDPSR-VWXZLZIGSA-N 587.436 2.987 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c(OC)c1 408953597 MDZOPLABLIWGPV-ZGVXQSDHSA-N 638.415 2.734 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 1529547667 NZAPAVUUKPGEDU-CTKYRQKOSA-N 592.428 2.948 50 40 KFGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N/N=C/c1cccc(Br)c1 9368738 UYLWADKJRNHZJC-ZVHZXABRSA-N 507.410 2.504 50 40 KFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 20208840 DKEOGPWMUVDRNK-YZSQISJMSA-N 500.621 2.557 50 40 KFGB CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)/C(C#N)=C(/C)N 103133631 FLRLRUHTWHUNER-RMWKRFJVSA-N 562.442 2.832 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408680708 DSKVRHYFPUSJDQ-VTAJJLHNSA-N 542.224 2.645 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409256412 KZDALOYFTKXCOL-VULFUBBASA-N 519.396 2.848 50 40 KFGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc4c(cc3Br)OCO4)s2)cc1 1953738 OXLCDYPAJIFDAX-LSFURLLWSA-N 518.349 2.983 50 40 KFGB CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F 8691558 INXKFUXJUKWNRA-HZPDHXFCSA-N 508.799 2.588 50 40 KFGB O=C(CO/N=C/c1ccccc1Cl)NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 20510154 DMNHGWPYPKTYLL-SQEMJAKJSA-N 504.930 2.745 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)N1CCOCC1 409255302 HDFJMRJNIKFZMX-LGJNPRDNSA-N 523.373 2.719 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccco1 409370142 LVOCUOKXEZBGDT-MSOLQXFVSA-N 535.292 2.883 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OC)c1 1529547265 JWPWEIXVMBIYCE-RLKVMJCBSA-N 624.457 2.890 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(Cl)c1 408686776 SVANKUZYVYRALW-DJWYYIDESA-N 548.615 2.600 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1C 408690713 WLXMRQCNPVHNQJ-YZEAIEHJSA-N 556.251 2.953 50 40 KFGB Cc1oc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1Br 408838646 YXJBRHPEZIFUQT-IBUSPFOHSA-N 595.497 2.565 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 408860784 FBVKZJXRNYXQCL-KIBLKLHPSA-N 521.901 2.827 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409262006 GXERHJNIVYIQIG-WKULSOCRSA-N 508.506 2.627 50 40 KFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 28213054 INOUMQQECMRARO-RDRPBHBLSA-N 522.627 2.649 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 28213347 BNFKDFGGRXZWTM-WGOQTCKBSA-N 510.572 2.629 50 40 KFGB COc1cc(/C=N\NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 33342998 BNUABCKSURGDIW-FJLJVCJUSA-N 515.526 2.570 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1Cl 408683789 IVFFFHYXOXGRKG-MTJCSHQQSA-N 562.642 2.990 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408867693 LKMSCOAYNVHROU-DBFSUHOCSA-N 546.367 2.616 50 40 KFGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1OC 2362774 SUYYANMUYZFFOF-ROMGYVFFSA-N 501.381 2.929 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2c(C)c(Br)c(O)c(Br)c2O)cc(OC)c1OC 4017873 ZLCIAXRUXQEDIY-HCBMXOAHSA-N 575.210 2.837 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@H]1c1cccc(Br)c1 409310845 WYQONQPVSNVEEY-QZTJIDSGSA-N 504.362 2.829 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100772178 YWMSBTBFCOTHTB-BVYRJELOSA-N 592.598 2.729 50 40 KFGB biogenic O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccccc1O 408730163 FXGHNEGVVOIHTL-KEBDBYFISA-N 507.313 2.793 50 40 KFGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OCC 408921468 AEHDUHRUKKZESG-CKWAUKHYSA-N 540.573 2.823 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(I)o1 408948545 PJHOXLRXCXQKHS-IBGZPJMESA-N 568.393 2.769 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409170884 WYSKRVATFLZDKC-NHHTYEGYSA-N 608.433 2.679 50 40 KFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409257938 UWZSQVSGZVSYQP-WKULSOCRSA-N 502.527 2.762 50 40 KFGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1 27022806 OLDMOWXAUHDIOD-CBIIRDDDSA-N 505.600 2.992 50 40 KFGB Cc1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(=O)n(-c2ccccc2)n1C 101077369 ZGEPHLPYXYPOPG-SJJUBHFPSA-N 509.198 2.767 50 40 KFGB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 8871666 IEMWMIFCKLWTOY-UYRXBGFRSA-N 521.642 2.613 50 40 KFGB COc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13987493 UBORDEBYKPOPHE-DPCVLPDWSA-N 530.578 2.899 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc([N+](=O)[O-])c1 59490213 BCTABBSDRZTZTQ-AFUMVMLFSA-N 514.491 2.851 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)NNC(=O)c1ccccc1Cl 408682470 GMVQQYMZJFRRAE-YUEHCAIXSA-N 564.809 2.928 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 408860947 JEXHHPVBMHLKED-PKOLSWDWSA-N 574.837 2.878 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(OC)c1 1529546366 FNJKUXSVMZRYPC-NRDUTDNZSA-N 526.615 2.979 50 40 KFGB CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)NN 5460852 MQIUTMWQFMSIHY-DNQXCXABSA-N 550.616 2.817 50 40 KFGB CCOc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)c(OCC)c2)C=3C#N)ccc1OC 97968500 OGPSPRBWFWXIBX-XEBCXGCGSA-N 530.606 2.676 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N\NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150387519 MNDRUMGFNGAUDC-UIWBIBACSA-N 730.554 2.525 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 408871435 YEQVVTWIYPBCJB-SCWWFSKWSA-N 621.837 2.720 50 40 KFGB COc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OC 409318490 YKOLMCVCXAOEQY-NKVSQWTQSA-N 514.272 2.544 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)c(I)c1 1529546307 FAPRFBPIQAOGHB-YIQTUUEOSA-N 594.431 2.882 50 40 KFGB COC(=O)[C@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N\NC(N)=O)C(=O)Nc1ccc(Cl)cc1 17211584 IALRHWGGNCMHPW-NWMZFLTLSA-N 505.318 2.637 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1OC 100371850 KZAJLIKUCAZMSY-JFLMPSFJSA-N 529.546 2.960 50 40 KFGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(C[C@@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c3ccccc23)cc1 102579217 JTGSQMGGBLQOGS-YKQYNWIQSA-N 539.702 2.717 50 40 KFGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1cccs1 217401915 LHUOSFJZHJWCKS-LRVISPHRSA-N 544.637 2.594 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409269883 APNSXTSYGDGHMQ-WMIHPGJUSA-N 516.982 2.810 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(OC)c1 1529546367 FNJKUXSVMZRYPC-OGCGYOKDSA-N 526.615 2.979 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)cc1 408689360 YQIZXVRNDHGMBF-DJWYYIDESA-N 593.066 2.709 50 40 KFGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)c1 408779540 YCYOZKVEOBKGLC-FMCGGJTJSA-N 535.376 2.618 50 40 KFGB CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1 409010543 FOHAIZLOXFBJID-AFUMVMLFSA-N 520.380 2.615 50 40 KFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409027382 CWJZEQMXLMKGTN-ZMOGYAJESA-N 587.436 2.928 50 40 KFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OC)c2O)Cc2ccccc2)c1 409368368 ZWXIZZBOEQOHRZ-YSMPRRRNSA-N 513.572 2.759 50 40 KFGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccc(Br)cc32)cc1 217417163 DDOFOYDREXONKQ-ZWZYYQGRSA-N 606.477 2.942 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408686356 MXZHVPDJMBZZQA-MXMMTARNSA-N 518.191 2.705 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408862478 ZJXNNQWQFKNKMV-RUDKWAFVSA-N 523.995 2.594 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1O 1529549206 VHTOYKOZVWDDNC-IHRBSIFWSA-N 624.457 2.890 50 40 KFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(I)c(O)c(I)c1 98001287 BRWHIHAVDGENOD-QPSGOUHRSA-N 567.096 2.621 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1OC 408861044 LOYHICKORJAPHI-WGOQTCKBSA-N 511.556 2.821 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)c(OC)c1 408955441 ORKVMOLFJZUSKJ-ZGVXQSDHSA-N 667.413 2.937 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408994202 HEWJLEQRPQFOSO-FMCGGJTJSA-N 554.341 2.569 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(Cl)c2)cc1 409128238 DXYHHVFISHHQSB-MZJWZYIUSA-N 530.990 2.558 50 40 KFGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 199419154 BJHLFLHFDAMJKO-UHFFFAOYSA-N 516.602 3.000 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408679003 BZMSZTMTRRSLDD-NLXTZRDGSA-N 556.251 2.953 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408690199 UFWKJQPWQPVUPC-IXFQNSDBSA-N 556.251 2.953 50 40 KFGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1 409154893 PITPAWRHYRBDTH-VVEOGCPPSA-N 660.421 2.821 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 100270842 PWRAUGLAYFZZAG-OGLMXYFKSA-N 547.593 2.528 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408679015 CAOBJEOJWXGASN-NCOADZHNSA-N 588.249 2.657 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(OC)c1 408945135 KFIVHLHORLUCHM-OAQYLSRUSA-N 533.006 2.939 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409026439 OXJPDDHPVORBSI-FYJGNVAPSA-N 513.357 2.772 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc(F)c1 409132863 RURHDARHPCVRCA-MZJWZYIUSA-N 516.526 2.899 50 40 KFGB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102994812 CJZTZWGHTKYDAG-XMMPIXPASA-N 623.109 2.676 50 40 KFGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253568419 LEQYBQRIKUSPLB-BGEOKWEGSA-N 580.610 2.920 50 40 KFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OC 408863359 NOLZLEGLDXHFRT-YDZHTSKRSA-N 526.409 2.947 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408884115 SRWYBFMWHUYXGK-JVWAILMASA-N 525.583 2.901 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NC1CCCCC1 162398284 WABAXCCVVDFWOT-BSFFCRAZSA-N 667.810 2.728 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408684683 KGTCVRURJZQBJW-FEFJZCGJSA-N 572.250 2.733 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 409028850 RNXWKCUKRJVZQT-JVWAILMASA-N 541.582 2.601 50 40 KFGB CN1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 409115992 KXISSRHMORPRJB-UHFFFAOYSA-N 526.400 2.684 50 40 KFGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(C)=O 409225517 PCHRGEXRXXLRNP-UHFFFAOYSA-N 535.509 2.882 50 40 KFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 409267863 WRFFIANAYHGPNS-WKULSOCRSA-N 502.527 2.762 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@H]2C(=O)OC)cc1 409334516 SKQSYRIEYRNQNK-SFTDATJTSA-N 509.540 2.591 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 33355483 VXKFJCMVLPPTCO-YPXUMCKCSA-N 622.946 2.695 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1cc(Br)ccc1O 408731597 NVTFTEYTTUROFV-DNTJNYDQSA-N 550.307 2.768 50 40 KFGB CO[C@H]1C[C@@H](C)CC2=C(NCCCl)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1O)C2=O 104211044 NDSRHDSAGOYHHW-YSPOXHGQSA-N 608.132 2.590 50 40 KFGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(C[C@H](O)CN3C[C@@H](C)C[C@H](C)C3)c3ccccc23)cc1 104585976 JTGSQMGGBLQOGS-PKKFMYCISA-N 539.702 2.717 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408689067 XZMSIRIBPFHMCL-MVXJNQHVSA-N 542.224 2.563 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)S(C)(=O)=O 408837738 MOGRQSLIMJFYQR-SSDVNMTOSA-N 514.398 2.700 50 40 KFGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408941417 DONYGBLKKKCVSK-XMMPIXPASA-N 506.584 2.584 50 40 KFGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1 409024678 NCTCJTOFUZWUFB-NDZAJKAJSA-N 564.664 2.963 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764182 NYIPGVVSGSDTCL-HKUYNNGSSA-N 510.522 2.791 50 40 KFGB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)cc2)C[C@@H](C)O1 100816496 SOFYTQOYPDKKTN-MZBHRJQMSA-N 541.380 2.625 50 40 KFGB CCOC(=O)/C(C#N)=C\C(C(=O)OCC)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 100913786 GHVULNIXJUHLLP-VYFZMYBASA-N 501.893 2.622 50 40 KFGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408780871 MKGNSXHUZMWVNR-NUJZUDFISA-N 530.368 2.650 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 408868815 OYMUSKVRGMCLKY-CVKSISIWSA-N 504.584 2.570 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC[C@H]1CCCO1 409115764 KJBFJIAOAJWQFQ-PDFSKNBMSA-N 626.663 2.617 50 40 KFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(F)c(Cl)c1 409268688 XORYHFYLVKEYPX-XKJRVUDJSA-N 526.908 2.992 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 2068403 DFSICQVPFWZDFN-HBIPKPMISA-N 543.208 2.589 50 40 KFGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 13658654 XATCTORQKJNVFS-OLGPUJBVSA-N 514.541 2.726 50 40 KFGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 102995392 YEUZRVWXAKMQQG-INIZCTEOSA-N 538.401 2.912 50 40 KFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c1C#N 105511401 ACZCHKRRLKOHFA-NUGSKGIGSA-N 524.315 2.559 50 40 KFGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1 409011965 IFJZHDSYHYGHIK-CFRMEGHHSA-N 500.602 2.785 50 40 KFGB O=C(O[C@H](C(=O)NNC(=O)c1ccccc1O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409381309 STCXMQSNISOCTI-VQTJNVASSA-N 561.330 2.996 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)O 408858102 JPBWULCDRGVSJG-VQXFCIMOSA-N 509.968 2.506 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 100093873 PMZMIZUUNBPSPJ-IIELIFRRSA-N 565.652 2.672 50 40 KFGB COc1cc(C(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1I 408746210 CGRKIYXDXPYDFI-MBTNSHOVSA-N 550.378 2.696 50 40 KFGB COc1ccccc1/C=N/NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 408766382 CZWLWFVZVFCATA-MTDXEUNCSA-N 533.610 2.839 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1OC 408863062 KNQUIXYBYHXARP-CGKHLXHRSA-N 568.652 2.876 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)cc2)cc1 408863124 LGQUTMVZINISBY-RTQNPRDOSA-N 691.788 2.927 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)=O)c(OC)c1 408947004 NIEAGGXMLCJAAR-XMMPIXPASA-N 540.598 2.506 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409168678 OEBWXTXGKLXBCQ-APYSBUGJSA-N 547.406 2.529 50 40 KFGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 409382068 KBZMXVKWIHNXTP-VXKWHMMOSA-N 549.492 2.508 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382721 OCCWPWDODSVCHJ-XZOQPEGZSA-N 561.547 2.578 50 40 KFGB C[C@@]1(CBr)Cn2c(nc(=O)c3c2NC(=O)[C@@]3(NC(=O)c2ccccc2)C(F)(F)F)S1 12402481 YKTBIVFENMCUDI-IAGOWNOFSA-N 503.300 2.642 50 40 KFGB COc1cc(/C=N\NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 33342997 BNUABCKSURGDIW-PLIDZJGOSA-N 515.526 2.570 50 40 KFGB C[C@H](Sc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc(O)cc2O)s1)C(=O)N/N=C/c1ccc(O)cc1O 100953341 RERKKYYNUBCWHS-XRIIBFBVSA-N 562.655 2.622 50 40 KFGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)C1=O 408537515 VVEKUQMXRIAUJF-ZGLHNQSKSA-N 589.561 2.588 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408875489 JGFUVIWDCUQONV-ZMOGYAJESA-N 519.377 2.904 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2)cc1OC 409114188 DIKSYIZLPFJYNN-WGOQTCKBSA-N 511.556 2.821 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1 1529547797 OZGDTNMCWISNCE-XZVVGHKBSA-N 511.560 2.788 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764185 NYIPGVVSGSDTCL-IEBWSBKVSA-N 510.522 2.791 50 40 KFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(=O)OC)NC(=O)[C@@H]2C(=O)OC)cc1 12250483 VIPMBTYGPFQHJS-FCHUYYIVSA-N 523.567 2.982 50 40 KFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 101006055 CRMOFGPMARMKHL-RGEXLXHISA-N 533.653 2.773 50 40 KFGB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 102994778 OQNCZDWGIBQKSN-UHFFFAOYSA-N 579.513 2.996 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl 103896552 ARAPLLLRRVEODT-MZJWZYIUSA-N 530.990 2.558 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408688270 QIRICLNHGFXUTF-KBXIAJHMSA-N 530.213 2.653 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408772252 FRZDGAFMUGFKED-VUTHCHCSSA-N 546.653 2.896 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1O 408879277 CTDHQGYJRLFCNL-AWQFTUOYSA-N 535.214 2.842 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCC)c2)c(OC)c1 408953537 LXUJRCFHYVHKTC-SIMLIIDHSA-N 510.547 2.814 50 40 KFGB Cc1c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c2ccccc2n1C 408998604 MQEDNTFVEHMIQJ-CDYIUOCRSA-N 571.634 2.657 50 40 KFGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1C 409260202 MMTRWHIUECFIMW-IPPBACCNSA-N 502.527 2.816 50 40 KFGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377769 JTDNMJFNUSQGIU-PKTZIBPZSA-N 518.522 2.909 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409378448 PHELNOCZXSNEOG-LOSJGSFVSA-N 575.574 2.949 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccccc2)cc1 408863653 PXBPZJFMDKZEQD-WPWMEQJKSA-N 525.583 2.983 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(C)cc1 408998998 VSPWVJRYTGUUHF-CFRMEGHHSA-N 523.371 2.970 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1Cl 20209268 KMWGBYQARDUVJT-MFKUBSTISA-N 507.012 2.648 50 40 KFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 20211020 GXYRHAVRINDLOT-BHGWPJFGSA-N 503.455 2.776 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 100362685 NLYNTXOTLDMYAF-OCSSWDANSA-N 534.569 2.539 50 40 KFGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 102998915 ZARVFQNRXDPHRD-IBGZPJMESA-N 527.002 2.951 50 40 KFGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408533622 KIKVFNFTTCGZPP-BIXBROTJSA-N 575.363 2.891 50 40 KFGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c(Br)c(Br)c1O 16134339 PMNOIWKFIWWIDF-DSSQYWTPSA-N 511.170 2.906 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)OC)c(OC)c1 408953280 XIUBFYJDKJIHBY-DEOSSOPVSA-N 696.520 2.737 50 40 KFGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)c1 12690187 HMMKYYPUGGRUSM-NRFANRHFSA-N 523.615 2.648 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)c1 59647147 WBBTYNUWEITZHJ-JVWAILMASA-N 540.598 2.638 50 40 KFGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cccc2OC)cc1 408609554 KEKMMUOXFVFRBA-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB C#CCOc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 408947082 NQQZDGSFJNRTNI-DEOSSOPVSA-N 536.610 2.592 50 40 KFGB C[C@]1(CBr)Cn2c(nc(=O)c3c2NC(=O)[C@@]3(NC(=O)c2ccccc2)C(F)(F)F)S1 12402480 YKTBIVFENMCUDI-DLBZAZTESA-N 503.300 2.642 50 40 KFGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 28213524 UBAOXGIWXIGKHO-STBIYBPSSA-N 522.627 2.915 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC 409126381 BSAPOUCLSFTJMS-RWPZCVJISA-N 559.572 2.968 50 40 KFGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(=O)OC)cc3)[C@@H](C(=O)OC)C(=O)N2)cc1 409317702 RVIXAUIWARSWCV-FCHUYYIVSA-N 523.567 2.982 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)Cc2ccccc2)cc1 100350940 WKBBNYMCNSYXKF-HOFFDHMBSA-N 594.690 2.710 50 40 KFGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCC(N)=O)c(OCC)c1 408999430 CUJXIBYQRPLBMG-YJHJRWQXSA-N 621.432 2.843 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409264228 NWYVFYFEHRMLEQ-LUOAPIJWSA-N 502.886 2.865 50 40 KFGB Cc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3nc(C)c(C(=O)NNS(=O)(=O)c4ccc(C)cc4)s3)nc2C)cc1 5810474 VWRTWNGUYRVLDU-UHFFFAOYSA-N 620.760 2.747 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 28213468 KQMGKCUIDVLVBT-JVWAILMASA-N 530.647 2.748 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 408872124 KXJBJNXQDZZJJR-VULFUBBASA-N 545.415 2.659 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)c(OCC)c2)c(OC)c1 408952933 LBJGZODAQXIEPG-WHYXJLTFSA-N 565.583 2.716 50 40 KFGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 26963818 YUXYUIPWCYAHGR-GTENMVSRSA-N 507.528 2.666 50 40 KFGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 59401638 OQTBSCMADWBLCK-MZJWZYIUSA-N 514.991 2.934 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc(OC)c1OC 100057862 DGVJPGSIFCSIGI-BGABXYSRSA-N 502.527 2.510 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)Cc2ccccc2)cc1 100070574 RSIIIBQEFCBCGK-KVSGHJDXSA-N 621.716 2.660 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(C)c2C)cc1 409024173 ATOYKOCWIJXAMD-RWPZCVJISA-N 508.600 2.822 50 40 KFGB C[C@H](C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028235 JYNUWFBGCZBCBR-AXNZHVIBSA-N 510.572 2.648 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 408949676 FVNYLDZFFRIEIH-ALUCDORFSA-N 545.936 2.977 50 40 KFGB CN(C)N(C)C(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 165134209 VQPFSIRUEPQQPP-HVNZXBJASA-N 546.716 2.719 50 40 KFGB in-vitro CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)O)c(Br)c1 408947980 OJHXFCNQJGEBHI-QHCPKHFHSA-N 605.467 2.798 50 40 KFGB O=C(CCCC(=O)N/N=C/c1ccc(I)o1)N/N=C\c1ccc(I)o1 97946003 SSEWRQHRBXIFDM-NCEWWTOFSA-N 568.109 2.853 50 40 KFGB CCOC(=O)Cn1cc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408949827 GFXBZFYOZJSTQA-LKGCXEJMSA-N 591.621 2.933 50 40 KFGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 2277644 JTSGUXLSRUONRQ-VOTSOKGWSA-N 536.180 2.822 50 40 KFGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1CSc1nc2ccccc2o1 2542030 MJITUDRPLYOWLF-YSURURNPSA-N 505.520 2.747 50 40 KFGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 59443884 FJRQZZSVEMWIEV-CVKSISIWSA-N 513.572 2.759 50 40 KFGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 102993859 YOFTYPHZHVLFBB-QHCPKHFHSA-N 625.136 2.935 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c1 105583479 PRCUTAQFGVOZRG-JVWAILMASA-N 541.582 2.601 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc(OC)c1OC 408531546 HATJUYPCYLBXML-XLBLDCAYSA-N 573.562 2.888 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408680706 DSKVRHYFPUSJDQ-DJQNJWNESA-N 542.224 2.645 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)c1 408685425 QQVXMIGVGMUOQC-JYUSNPHGSA-N 542.224 2.563 50 40 KFGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 408996814 AUADXTSZDPQLLL-ZZFYKZSPSA-N 605.486 2.783 50 40 KFGB O=C(CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl 100044193 GTQJAWTVKCDGBA-UHFFFAOYSA-N 552.198 2.833 50 40 KFGB O=C1C(NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc21 101027828 YOWYJGSCDZAZAB-XHPQRKPJSA-N 521.467 2.696 50 40 KFGB Cc1ccc(C(=O)O)cc1NC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408672907 PDIIQYRMHJYLNQ-FNFFVJSTSA-N 502.159 2.554 50 40 KFGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cc(I)cc(I)c1O 408988304 RYYVRDCOMXYDOF-IFRROFPPSA-N 592.110 2.544 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 409381099 DYTGNHBVJZUNHU-RPWUZVMVSA-N 585.525 2.829 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)c1C 59857944 IZWHFMAHWBBPLX-UXHLAJHPSA-N 536.654 2.957 50 40 KFGB O=C(NCCCCCCNC(=O)NNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc(Br)o1 97948525 FCBDKJUIIZYRLN-UHFFFAOYSA-N 578.218 2.546 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)NNC(=O)c1ccc(Cl)cc1 408684639 KAFPGIGOTDMYFE-VJQWSGFBSA-N 564.809 2.928 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1[N+](=O)[O-] 408688600 RBBFWYCMUSRXHV-JYUSNPHGSA-N 587.221 2.553 50 40 KFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770104 CWBGRWACBZQWRW-FPOVZHCZSA-N 504.568 2.521 50 40 KFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc32)cc1 101027859 OIPYKNNUOFEITE-MEFGMAGPSA-N 506.496 2.796 50 40 KFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC(N)=O)c(OCC)c1 408905736 DDVMJPCPNOUUET-WUERFNLMSA-N 535.395 2.519 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)cc2)cc1OC 409349556 QUWXUOZEMOOBKH-AZPGRJICSA-N 522.583 2.704 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(C(=O)O)cc1 59490211 QLIDHCIFSKGKJJ-VULFUBBASA-N 513.503 2.641 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC 97962863 LJHDRIQFWAMYCZ-DBFSUHOCSA-N 535.509 2.540 50 40 KFGB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NNC(=O)c1ccc(Br)cc1 98050552 HXLNAYMJUZGVMJ-UHFFFAOYSA-N 530.301 2.959 50 40 KFGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408924094 NVMFVCCFZCFGIA-FDBZCLHMSA-N 522.558 2.980 50 40 KFGB CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1 6135760 MSERQXQDISNBLV-LFTZEHOFSA-N 500.508 2.653 50 40 KFGB O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccco1 100747853 NOKRDKLOXOSPBX-BMUCUYCASA-N 536.386 2.761 50 40 KFGB biogenic CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 409027548 FMLBTKCGYCELQR-MFKUBSTISA-N 525.543 2.529 50 40 KFGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 409265535 TUQDFBOSAJSLLN-IPWRAFNYSA-N 531.407 2.829 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409383042 TXAGVAOAWGAUCL-DNQXCXABSA-N 561.547 2.559 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 59646443 OCQPTNJSXFKUEM-UXHLAJHPSA-N 601.081 2.932 50 40 KFGB CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 169808151 YEJYGCSQLCXHSL-DFLSAPQXSA-N 558.700 2.729 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 408830868 NUIBISOLMBNCEQ-OGRMWHIBSA-N 612.730 2.864 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409160530 QZDMBLXORMAMLK-HNAPYZNHSA-N 561.433 2.919 50 40 KFGB Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)CNC(=O)c1cccc(F)c1 3081715 QWBMMZKLAYHXQK-GEVRCRHISA-N 503.122 2.950 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408683860 IZQSBQPQYUSBFF-JYUSNPHGSA-N 542.224 2.645 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409151282 ACYGGTWVFMRIKN-JFWKYIDNSA-N 567.824 2.874 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C[C@@H]3OC(=O)c4ccccc43)cc2)cc1 2655532 KMVJARSWVZNHDE-QHCPKHFHSA-N 507.568 2.879 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 3295391 HYOHEEMQKRRGGY-UHFFFAOYSA-N 548.621 2.653 50 40 KFGB N#C/C(=C\c1cc(I)cc(I)c1O)c1n[nH]c(N)c1C#N 4067314 KBRSUQUKZDFYQL-LREOWRDNSA-N 503.041 2.843 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20210399 KLMURHQEJCFPSL-MFKUBSTISA-N 505.593 2.722 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 100087358 MXYKLTLFOOBMQN-CEUNXORHSA-N 536.654 2.974 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 150363638 KIYXVPNYVWUDJY-FFWFIYGGSA-N 639.687 2.931 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(OC)c1 408942083 FNJKUXSVMZRYPC-DEOSSOPVSA-N 526.615 2.979 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1C 409174168 LSVNHOVLGMTPDS-YTLAKBNPSA-N 547.406 2.529 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548029 WEBDSOTZHGUCIC-QLPUOYLQSA-N 550.637 2.982 50 40 KFGB COc1ccc(C(=O)NN2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1OC 9591427 IDDXCEUSFMUQIF-QFBILLFUSA-N 506.914 2.760 50 40 KFGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 13658651 XATCTORQKJNVFS-LVGSUZFTSA-N 514.541 2.726 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 100270856 YNKOKDARILXRGW-RDRPBHBLSA-N 561.620 2.601 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408535401 NZAMJULJFHKIAU-BIXBROTJSA-N 585.314 2.751 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1[N+](=O)[O-] 408688604 RBBFWYCMUSRXHV-WITHRNOMSA-N 587.221 2.553 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(C)(=O)=O)cc1 409185582 MVSRZTRPOAJXCH-WSDLNYQXSA-N 514.398 2.781 50 40 KFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)N1CCOCC1 51330999 RDFOOVOFCPLXIL-OAQYLSRUSA-N 517.498 2.863 50 40 KFGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(I)c(O)c1 97958865 ZOWMEMNFWVVHOP-WYMPLXKRSA-N 532.338 2.574 50 40 KFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 100328205 QXUVGJOEQVPJDQ-JFLMPSFJSA-N 529.546 2.960 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2OC)c(OC)c1 408925032 RZRXNRRCZAPLCS-ALUCDORFSA-N 516.938 2.687 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1O 408993645 WXJBBHHWIDGFBS-SPYDPLLYSA-N 563.352 2.716 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c(=O)c1C#N 409006796 LATGRNWUSXGEMT-NUJZUDFISA-N 501.543 2.651 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2)cc1OC 409117186 NQUYPXJBQZHDIT-WPWMEQJKSA-N 508.556 2.952 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409170437 VRARIODAXYRLCQ-HURLIOHXSA-N 566.396 2.991 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c1 408893262 LRFVFWVSYLNPGW-ZMOGYAJESA-N 505.984 2.768 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c(OC)c1 408953593 MDZOPLABLIWGPV-UELCYLQASA-N 638.415 2.734 50 40 KFGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1cccs1 888089536 LHUOSFJZHJWCKS-KKYNJWJVSA-N 544.637 2.594 50 40 KFGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 13758282 AODDGBHKVHDXKG-LTNULWHISA-N 505.600 2.990 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)c1cccc2ccccc12 19955225 XKWGGJYPQYDYCZ-UHFFFAOYSA-N 501.362 2.841 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408690315 UWSVSBCGNNBCTL-YZEAIEHJSA-N 572.250 2.735 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2)cc1 408842575 QNJXYVMRIRETLF-OGLMXYFKSA-N 538.626 2.944 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379870 AMMODAXCFWJEMF-BJKOFHAPSA-N 561.547 2.559 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]12 408690632 WDULSPSWBKKFIE-MQYXYMALSA-N 552.381 2.769 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 408858662 JZTRXEDIGANDFP-UXHLAJHPSA-N 536.654 2.957 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)c(OC)c1 408957464 UPMJNAKHMXEMKM-OJESDODKSA-N 619.425 2.641 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCC(=O)N1CCOCC1 409009241 CHNBFHUZFUWKHU-AFUMVMLFSA-N 520.380 2.858 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccccc1 409172644 DZEMGYLJSWJSEH-VFLNYLIXSA-N 583.395 2.970 50 40 KFGB O=C(NNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NNC(=O)c3ccccc3)ccc1-2)c1ccccc1 2690031 JIMQLUAENOGVPV-UHFFFAOYSA-N 562.629 2.504 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(Cl)cc2)cc1 59885441 KTLYFVBBBBWCBB-MZJWZYIUSA-N 530.990 2.558 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)cc1 408882204 LTERNDPWCZULEA-MUXKCCDJSA-N 584.383 2.563 50 40 KFGB Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 2520777 LOBUIWCWUBOECS-CCVNUDIWSA-N 519.541 2.700 50 40 KFGB COc1ccc(OC)c(NC(=O)CCC/C(CC(=O)c2ccc(O)c(OC)c2)=N\NC(=O)C[N+](C)(C)C)c1 5889184 OODYGKFUHFEBLN-VUTHCHCSSA-O 529.614 2.978 50 40 KFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc([N+](=O)[O-])c3)C(=O)C3=C2CC=CC3)cc1 101181502 SEMHXHCGVOJUNN-MEFGMAGPSA-N 508.512 2.781 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(N)=O 408972760 WNVFRZWMOFIYIW-HBPDMVEESA-N 563.449 2.690 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409267140 SPKRPOKLLDDQCI-BRJLIKDPSA-N 517.380 2.902 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@@H]2C(=O)OC)cc1 409320765 CHSQCYIRXBLGDQ-DHIUTWEWSA-N 519.579 2.529 50 40 KFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408685215 QHOLWSBWNUWEDQ-KSXHKMMQSA-N 562.642 2.908 50 40 KFGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1OCC(N)=O 408808758 NGBFOVPNBHDNLD-LICLKQGHSA-N 519.339 2.820 50 40 KFGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1 408972765 WUYQNCPNAPOLQF-IPWRAFNYSA-N 533.423 2.682 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1 409155729 MIYZSDIOYXTWHP-WYMPLXKRSA-N 505.369 2.840 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408676380 DALGOXPSGIPQLN-JYUSNPHGSA-N 542.224 2.509 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)c1 408786067 KYDHRQVAAWKAIU-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1C 409258473 UEWBZWUJFHQPDP-IPWRAFNYSA-N 531.407 2.829 50 40 KFGB CN1C(=O)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c2ccccc21 2328802 UAOWCTUECRJGKJ-ZPEMYOGYSA-N 502.575 2.711 50 40 KFGB COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 2651453 VUGFIWGCBRLEIT-UHFFFAOYSA-N 505.512 2.856 50 40 KFGB O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 12533616 YFNDFHJOMSXPEA-INIZCTEOSA-N 504.615 2.676 50 40 KFGB Cc1ccc(NC(=O)CS[C@H](CC(=O)Nc2ccc(I)cc2)C(=O)NN)cc1 27490452 HHKGOLHGBPMWQF-MRXNPFEDSA-N 512.373 2.659 50 40 KFGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 100145277 FGECUTGMJKGENC-LXFFMDAQSA-N 578.691 2.744 50 40 KFGB COc1c(/C=N/NC(=O)c2cc(CO)on2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238755 CDEVGFWPOIJBOA-UPISZDBRSA-N 526.477 2.552 50 40 KFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3ccc([N+](=O)[O-])cc3)c2C(=O)N/N=C/c2ccc(OC)cc2)cc1 105917136 OJPCBDPZGQZRSL-DPCVLPDWSA-N 542.512 2.721 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)O 408749284 NCBMBSGCVKTKFI-AWQFTUOYSA-N 513.244 2.825 50 40 KFGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408833224 SCWUJXCVZCAGJZ-RDRPBHBLSA-N 571.055 2.923 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(OC)c1 409156318 NMAVIOOWYBGJNZ-FJEPWZHXSA-N 548.552 2.607 50 40 KFGB COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O 43019438 LRXYHMMJJCTUMY-VGJUDYQKSA-N 511.575 2.855 50 40 KFGB biogenic O=C(N/N=C\c1cc(I)c(O)c(I)c1)[C@H]1COc2ccccc2O1 100882167 ISBQLGWEGRCBIT-TZFWNBKVSA-N 550.090 2.892 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1C 408691228 YXJGKDNUVWZYCS-TUVASFSCSA-N 530.213 2.707 50 40 KFGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1 409321530 GRAMMTWMDZOBOW-ROUUACIJSA-N 510.410 2.845 50 40 KFGB N#Cc1ccccc1NC(=O)/C(=N/NC(=O)c1ccncc1)[C@@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] 104297247 WXYCTCTYUJIRLK-CWPBYQMCSA-N 525.441 2.547 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]21 408683316 HTTHXOXPCVZYAU-UHVFKWDWSA-N 507.930 2.660 50 40 KFGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)n1 1055997 DIBNMCDMWCFJGP-ODCIPOBUSA-N 505.130 2.593 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408684583 PEEWDOAIWKXVEC-LHVLRZJLSA-N 582.167 2.965 50 40 KFGB C[C@H](NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1 408691156 YMIIJMLOTZENCE-HAOZDGGVSA-N 556.251 2.575 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1 20215204 LOSHKQXRZQTMMT-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N/N=C\c1ccccc1OC(=O)/C=C1\SC(=O)NC1=O 101025533 JZZZEKOEQVCNQE-CYICYEOYSA-N 568.571 2.624 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OC)c1 409165067 RYCNHSHNQUZZKG-BRJLIKDPSA-N 503.353 2.536 50 40 KFGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 3314690 INOZUKTZXBLPRO-UHFFFAOYSA-N 545.639 2.616 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59646768 LCHROIDYFIHBMG-AFUMVMLFSA-N 542.526 2.656 50 40 KFGB Cc1cc(/C=N\NC(=O)c2cccnc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 102984519 ABDGCNJQGDOPQC-CEUNXORHSA-N 536.658 2.874 50 40 KFGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)C1=O 408528501 BKVYPUFWWSNPBR-LDWYRGJHSA-N 513.510 2.871 50 40 KFGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408781832 FDWKDCPPIUCDOM-KLFZOUAXSA-N 540.667 2.599 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)ccc1OCc1ccc2c(c1)OCO2 409001433 IMZDNCDBTZUWRB-VZMSQQDDSA-N 650.685 2.772 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1O 409377651 JSINLLJBZMKOTG-VQTJNVASSA-N 561.330 2.996 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20212013 QHAAMRXUGJLAOQ-DHRITJCHSA-N 526.011 2.985 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408679540 CPWUQTFGKWTRRA-RTBURBONSA-N 528.359 2.747 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408681115 FCUAZWBMTGLTOJ-ZKRMKBECSA-N 562.642 2.988 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC(C)=O 408751667 BHSYGTYGHPDPSR-BLTFUYFMSA-N 587.436 2.987 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1OC 408808278 FIGZTGOZDSUNTE-AQLQTECXSA-N 590.420 2.668 50 40 KFGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 409381597 HKWVIYVBTZBQTF-DHIUTWEWSA-N 575.574 2.968 50 40 KFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 20214707 RLOYQSHSFMQAMX-STPJHCLOSA-N 505.593 2.721 50 40 KFGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 59960523 HRZDPBGJIOIARM-YKQZZPSBSA-N 524.618 2.731 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)c1 408768957 MYNORXXNCBOPDR-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1OC 408780762 JTXIFQQFGRSWMU-WGOQTCKBSA-N 511.556 2.975 50 40 KFGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)c(Cl)c1 408922685 QOWXBUAYVVBGJX-UHFFFAOYSA-N 520.192 2.995 50 40 KFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(Br)cc1F 409258404 XKMUPTPSIADYSO-KBKYJPHKSA-N 517.311 2.965 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 8384782 OEHOVGCEEHUMOW-ZKQTYJKJSA-N 538.626 2.868 50 40 KFGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1 13749775 LRATVSWGICDNFH-RUEWRVDLSA-N 502.369 2.585 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc(Br)c1OCc1ccccc1F 97966667 QYMHKFLBEDQSCO-VVEOGCPPSA-N 644.462 2.708 50 40 KFGB CCOc1c(I)cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC 100544914 CHGYFMILYYWLEU-VROXFSQNSA-N 561.340 2.831 50 40 KFGB O=c1c(S(=O)(=O)c2ccccc2)cn(C[C@H](Br)CBr)c(=O)n1-c1ccccc1 101411978 VFKMLBSEWKWJGB-CQSZACIVSA-N 528.222 2.990 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccc(Cl)cc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150387159 YUPDSCFYOHAMPZ-UPUGEWLGSA-N 680.110 2.899 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1 408824842 BABYJZUHOOYLHB-UXHLAJHPSA-N 568.627 2.717 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(F)cc2)cc1OC 409123804 IDJGQLYOTGZDKT-CRQQIFMHSA-N 628.679 2.863 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)Cc2ccccc2)cc1OC 100304638 PAYJCZKHTRPCPL-LQNQUEJISA-N 582.679 2.948 50 40 KFGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccc(Br)cc1 138991409 IARNDUSVJKNCHS-QGZVFWFLSA-N 510.344 2.960 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408679523 CPDBTESKWAHWFO-WGUMKBCVSA-N 600.260 2.511 50 40 KFGB CCOc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408684684 KGTCVRURJZQBJW-OICUQTODSA-N 572.250 2.733 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382719 OCCWPWDODSVCHJ-PKTZIBPZSA-N 561.547 2.578 50 40 KFGB CCOC(=O)COc1cccc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 1529548744 NAHBIDSWPJBUFJ-BAWRWLFMSA-N 554.625 2.514 50 40 KFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(S(=O)(=O)N4CCOCC4)c(Cl)cc3Cl)ccc21 3315255 IUXQBDROLVUWAM-UHFFFAOYSA-N 540.429 2.767 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 28212902 BVVDNTMUMGHDFY-VULFUBBASA-N 500.964 2.550 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408681583 FOZCCSZBUAMIFT-MUEHPZDASA-N 592.668 2.998 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 409259016 WZPSDBBPAAQYCV-MTYDYXEWSA-N 517.380 2.520 50 40 KFGB CN1CCN(CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)CC1 22933789 IDGFKYZRPZNTNI-QLYXXIJNSA-N 520.815 2.553 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1 408943050 GXRQULZPLPBPBI-HXUWFJFHSA-N 639.428 2.790 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCC#N)c([N+](=O)[O-])c2)c(OC)c1 408952592 KSRHMWWNSRWOOV-BACQFCBESA-N 645.423 2.988 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 408827448 JQBVEFBLFKIYGE-MFKUBSTISA-N 551.463 2.757 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1c(C)cccc1C 409165132 SYVLNPIAXXZWSI-NHHTYEGYSA-N 608.433 2.679 50 40 KFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)c(C)c1 409252914 VHKZTEPEVMVCRW-IPPBACCNSA-N 502.527 2.816 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1 1529547964 SNJVCVPEONTZJF-JYJOXHSLSA-N 649.520 2.895 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1 9232868 UCYVGRIYABLVGW-BRJLIKDPSA-N 505.369 2.698 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1OCC 10001242 TZURKFNLMVXBSM-GLYQIKNISA-N 513.547 2.661 50 40 KFGB COc1ccccc1/C=C\C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 19850541 RUPLGWMDVNTEJE-KCQUWNLESA-N 521.437 2.579 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 408830862 NUIBISOLMBNCEQ-KVKZSELESA-N 612.730 2.864 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 408883620 VEFHTQGWAQDQIW-JVWAILMASA-N 553.597 2.844 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(OC)c1 408925469 TZCZMMPVJFFZTD-JPTVRAALSA-N 505.531 2.815 50 40 KFGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408948559 PLXZJCCVTIOCQL-HHHXNRCGSA-N 598.678 2.912 50 40 KFGB NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 409264662 QWXDMYAUYHWFSW-SCDVKCJHSA-N 500.103 2.748 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344406 PSLGCXYGIOMZRQ-MFKUBSTISA-N 528.543 2.966 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C 408682338 GBZBDZUDWVSSMV-SYMSYNOKSA-N 530.213 2.707 50 40 KFGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)c1 408786177 GHCHXCQMWIKJDD-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(C)=O 409222844 FCFPMJDROPWDAR-UHFFFAOYSA-N 537.525 2.973 50 40 KFGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 27022812 OLDMOWXAUHDIOD-QFXXMJIKSA-N 505.600 2.992 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 28213105 PEMCTMWWFUXYND-WGOQTCKBSA-N 500.621 2.739 50 40 KFGB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 138951636 MLZAJKWHIOGUHH-GOSISDBHSA-N 516.392 2.931 50 40 KFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 28212964 HEUORVQXAZEIIL-LQKURTRISA-N 508.600 2.767 50 40 KFGB C[C@H](NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1 408688348 QPPWUVZPXNDZIJ-AEBUTONISA-N 556.251 2.573 50 40 KFGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 408784858 UOJXKXOVORUSBZ-UHFFFAOYSA-N 519.299 2.707 50 40 KFGB O=C(c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1)N1CCOCC1 105969497 IRBOCRCFXHRGAV-UHFFFAOYSA-N 528.569 2.603 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=C[C@H]1C(=O)N(c2ccccc2)N=C1C 408945498 KXKWCHOAESWIQW-HYBUGGRVSA-N 548.625 2.562 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 408954115 NAGYCZMYHTVEDV-ZGCZVDSBSA-N 525.518 2.632 50 40 KFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(I)o1)OCc1ccccc1 408994339 YPASSIJMSCPMLM-GENGVREBSA-N 507.288 2.595 50 40 KFGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccccc1OC 409020641 RLBYCPOTNTZPIS-IBBHUPRXSA-N 561.595 2.750 50 40 KFGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 2634680 LMOAXWMVLDKGLL-UHFFFAOYSA-N 531.472 2.818 50 40 KFGB COc1ccccc1/C=C/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 34807454 RUPLGWMDVNTEJE-UAZDYKOFSA-N 521.437 2.579 50 40 KFGB CN1CCN(CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)CC1 100270469 GDZJTLLLAPNBEP-MEFGMAGPSA-N 543.447 2.754 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 408831066 PKTPGSQJGNZNNJ-IAEWTUJKSA-N 580.663 2.715 50 40 KFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 408905738 DDYXEBJIVWGFDE-LTNVFZTJSA-N 511.316 2.813 50 40 KFGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1OCC(=O)O 408910305 GUALSGDECKMJFA-LSFURLLWSA-N 512.300 2.909 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408957089 SFVHCEIVKJWTTN-IRSOAJISSA-N 552.584 2.989 50 40 KFGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408967378 QERUFYCZKBCAGM-NUGSKGIGSA-N 511.247 2.626 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 58883362 YEELDBJFRPMNBW-VEILYXNESA-N 523.611 2.931 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C\c2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 100330462 IDDQDWALZRBHCN-YSMPRRRNSA-N 529.571 2.772 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408682029 FWOTXRCLVLIMBK-YWALVYIISA-N 556.251 2.953 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408686353 MXZHVPDJMBZZQA-KSXHKMMQSA-N 518.191 2.705 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(OC)c1 408921649 BSSYNWKVJVHYEB-UFIDKHRZSA-N 562.535 2.983 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@@H]2C(=O)OC)cc1 409320785 CHSQCYIRXBLGDQ-XZOQPEGZSA-N 519.579 2.529 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1O 409377649 JSINLLJBZMKOTG-PMACEKPBSA-N 561.330 2.996 50 40 KFGB COc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 150453625 SIJXFKDEPSJYKI-UHFFFAOYSA-N 645.941 2.994 50 40 KFGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)c1 408535958 PGRZXUBQVJWLLQ-FEGPCZTRSA-N 513.510 2.871 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408688817 XRWDJZITYVMQHI-YUEHCAIXSA-N 614.287 2.759 50 40 KFGB O=C(COc1ccc(Cl)cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408740031 CNVHIKCCBGLLIE-XYJSHWMKSA-N 509.769 2.647 50 40 KFGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408952594 WHEQWGXHAPLCDX-RUZDIDTESA-N 536.610 2.592 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409153083 KTEDEKVJGKFXDR-LNNIYNOTSA-N 622.460 2.988 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 59921691 XWIURZLUETUCPX-OEAKJJBVSA-N 508.394 2.787 50 40 KFGB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408668087 UUGNQKJSHBKECS-GOSISDBHSA-N 560.401 2.763 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccc(F)cc1 408777091 VJVKJLCVPAYEMO-KSEXSDGBSA-N 523.340 2.749 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1C#N 409224653 INDBBQFBQFVFET-UUASQNMZSA-N 502.268 2.852 50 40 KFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409317758 RTWKPHIZEMFLJY-NHCUHLMSSA-N 509.540 2.591 50 40 KFGB CCOC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 13122604 NJOAFPNHDYSMDG-XSFVSMFZSA-N 501.543 2.524 50 40 KFGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 36235342 VQHATQAFVGIBFA-LWSQSVBFSA-N 504.455 2.959 50 40 KFGB CCOc1cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)ccc1OCC(=O)N1CCOCC1 409009020 BECBDFQWRRZMSR-QFEZKATASA-N 567.380 2.700 50 40 KFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1)S(C)(=O)=O 409143027 YOFFFFHOECRENG-MTDXEUNCSA-N 508.600 2.584 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Br)cc2)c1 409383566 ZZAJBEAHSKUDQT-YADHBBJMSA-N 615.389 2.763 50 40 KFGB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 2643819 ZWZXHMKDGWZSHA-UHFFFAOYSA-N 537.550 2.751 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1[N+](=O)[O-] 408691048 XVZYDUQLEGABSD-OKMDKAJHSA-N 587.221 2.551 50 40 KFGB CN(CC(=O)N/N=C/c1cc(Br)ccc1O)S(=O)(=O)c1ccc(Br)cc1 16186797 OPBXMCWHBKCNSC-DJKKODMXSA-N 505.188 2.688 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 408827571 KRSJKEVKUKXVEX-STBIYBPSSA-N 568.652 2.953 50 40 KFGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408866304 HFMVRXHGJMLJFU-RDRPBHBLSA-N 571.055 2.923 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1Br 409003902 VVMRBTQRVIBMJV-VOZXZEHESA-N 685.338 2.958 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c(OC)c1 20210814 SSFXWGRTIKFOKP-YDZHTSKRSA-N 502.505 2.788 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)c(OC)c1 20210881 QBUANGPURVXGME-WYMPLXKRSA-N 506.968 2.830 50 40 KFGB C[C@H](NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1 408691159 YMIIJMLOTZENCE-ZDNHHBMASA-N 556.251 2.575 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)cc2)cc1 408824886 AXJFEWOFUGZICS-JVWAILMASA-N 540.598 2.638 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408831613 WFZISFOSFZSTLP-MUFRIFMGSA-N 559.044 2.960 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409258792 VJYIVLSBTBCFPO-LHPMMCHCSA-N 520.945 2.641 50 40 KFGB O=C(COc1ccccc1I)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409388755 VYZRFEIEPDQVLB-MSXFZWOLSA-N 602.223 2.820 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548030 WEBDSOTZHGUCIC-SJHQEIOHSA-N 550.637 2.982 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332495 XYQWXNKOILAJSN-AFUMVMLFSA-N 573.540 2.874 50 40 KFGB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\NNC(=O)CC#N)c3ccccc3C2=O)c1 102931062 PQGFLYLYHFKHDM-PGMHBOJBSA-N 531.550 2.558 50 40 KFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408817543 WDQFKJOYLIHCNI-WKIKZPBSSA-N 511.922 2.594 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408864993 BMCKFRORTFQCCB-NPAZAKLCSA-N 591.008 2.949 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409166780 GOKULKCFRKHAJL-OPEKNORGSA-N 505.369 2.678 50 40 KFGB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100874912 FTMTXESUGBVYCA-BXBPSZQVSA-N 500.187 2.800 50 40 KFGB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccccc4)CC3=O)cc2)cc1 408663486 YKHLTWKZLJXPPP-LJQANCHMSA-N 503.511 2.845 50 40 KFGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccccc2)c1 409377732 JIGZQGCBNLBKOD-YADHBBJMSA-N 504.495 2.600 50 40 KFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cc(Br)ccc3O)nnn2-c2nonc2N)cc1 2374327 FSKIFORRNDVFQR-AUEPDCJTSA-N 513.312 2.530 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@@H](CS)C(=O)O 70707685 WOSYRGZUEPPFDW-NRJJYZDVSA-N 600.731 2.548 50 40 KFGB Cc1ccc(S(=O)(=O)NNP(=O)(NNS(=O)(=O)c2ccc(C)cc2)NC(=O)c2ccc(Br)cc2)cc1 102620186 KOKSVGNFQMIEIT-UHFFFAOYSA-N 616.456 2.870 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409166146 BRYOQXUBGJAQHD-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409170436 VRARIODAXYRLCQ-FCUAXUHVSA-N 566.396 2.991 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 58883355 VMSHCUOJWQFGEP-YSMPRRRNSA-N 512.588 2.524 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C#N)C=CN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 101024840 WPJSCVOHMKPYEI-JKLQHZFJSA-N 515.438 2.530 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408689068 XZMSIRIBPFHMCL-VNUXUXBQSA-N 542.224 2.563 50 40 KFGB COCCCn1c(SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)nc2sc3c(c2c1=O)CCC3 6904590 VXPQYCFMHPXLFV-UHFFFAOYSA-N 532.644 2.554 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(=O)(=O)c1ccccc1 59472860 HFYNHRFSUCWJCT-WPWMEQJKSA-N 525.583 2.983 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100284657 JAYFQUBRVUXGGH-NTFVMDSBSA-N 552.609 2.538 50 40 KFGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 8721631 NPFJRXKFVRHPJR-MZJWZYIUSA-N 512.588 2.508 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1CCOCC1 17595831 RFCLLQKHVGGNPP-JFLMPSFJSA-N 538.630 2.508 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)cc1O 408947011 NIXUGTGKJKFUQB-NRFANRHFSA-N 563.430 2.745 50 40 KFGB COC(=O)[C@H](CSSC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1 150399039 VBJJHDDRAZSKSJ-KKUQBAQOSA-N 730.862 2.539 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408689861 STSVZVLNRGBKAW-KBXIAJHMSA-N 530.213 2.707 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408691192 YTAXZNNCNUQYME-ZTDCLBERSA-N 570.234 2.537 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409164149 DALSJKUIUQFZQS-RFJLOWGHSA-N 561.433 2.919 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccc(C(F)(F)F)cc1 6133714 NRLAKLMKCWQLEN-DHRITJCHSA-N 533.370 2.925 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(OC)c1OC 408871054 VPUZGIPNFXJOQT-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)OCC)C(=O)N1 1433797 NNVYYFQNNDOHDG-JKSUJKDBSA-N 514.341 2.715 50 40 KFGB N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nnc(N2CCOCC2)n1-c1ccccc1 102942915 WVEDOYUEPZADSL-ATJXCDBQSA-N 503.519 2.799 50 40 KFGB O=C(O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc1N1CCOCC1 102994413 QBUWWUNLFBZXMM-RZRDZNJRSA-N 528.197 2.504 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 409262537 IRMMDYVSNXZQNQ-RWPZCVJISA-N 502.543 2.623 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 12539023 PDZOEUBEKNGKQD-QHCPKHFHSA-N 524.574 2.521 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccccc1C(F)(F)F 408688757 XJEDXNVBSGKGND-JUYHGQFASA-N 582.167 2.965 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Br)cc1 409379579 XYMLMFBKLJCLSF-PMACEKPBSA-N 555.337 2.746 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1 408683448 IBVKUSPDIBIFJW-CRWXNKLISA-N 536.604 2.744 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2C)c(OC)c1 408949694 FWSJHFOUKDCPOR-XGVLDKRDSA-N 510.547 2.732 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(NC(C)=O)cc1 408950887 SOPUAJNNQSGBLL-QHCPKHFHSA-N 509.588 2.530 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c(OC)c1 408957080 SEQDMSLYEWXFFQ-IVCWAIIXSA-N 606.386 2.792 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(I)cc1)S(C)(=O)=O 408773207 HJDLDIKMIIXYCY-KGENOOAVSA-N 515.373 2.996 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408785791 ZIHSVSHRSZHYNQ-MXAYSNPKSA-N 577.413 2.786 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409272302 YBFHCHXVNFFNGY-NHHTYEGYSA-N 516.982 2.728 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408685009 KVROAUXTXFHCRC-PSWKNJSVSA-N 542.224 2.645 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408687174 OJPJNJHQVVTBLL-WCVJEAGWSA-N 530.213 2.707 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 1088038 WGEKQKCDPJAJOS-UHFFFAOYSA-N 521.187 2.559 50 40 KFGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 14360539 MYICDCYHQOOYRF-INIZCTEOSA-N 502.540 2.794 50 40 KFGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)cc2)S(C)(=O)=O)cc1C 59401633 AAWBARHGJHXORJ-RWPZCVJISA-N 508.600 2.898 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](CS)C(=O)O 103517839 WOSYRGZUEPPFDW-UFFGEHKFSA-N 600.731 2.548 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1[N+](=O)[O-] 408688601 RBBFWYCMUSRXHV-MVXJNQHVSA-N 587.221 2.553 50 40 KFGB C#CCOc1c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(Br)cc1OC 408997251 DJAHANHSAQDXBG-QKZGRNMVSA-N 667.513 2.640 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@H]2C(=O)OC)cc1 409320778 CHSQCYIRXBLGDQ-GOTSBHOMSA-N 519.579 2.529 50 40 KFGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCC(=O)O 408710699 WBPHMOLXNLGXSM-LSHDLFTRSA-N 528.299 2.934 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)o1)C(=O)Nc1cccc(Cl)c1 408806781 BRUHIGGIRBTRCW-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409152665 KXRXZJGWUTTXRU-BRJLIKDPSA-N 564.380 2.745 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 408827433 HHFQDMIRPLMOLQ-LQKURTRISA-N 554.625 2.946 50 40 KFGB O=C(CNC(=O)c1ccccc1I)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 1298033 FOGFJBJYRWSEAQ-FAJYDZGRSA-N 582.354 2.817 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)cc(OC)c1OC 408530762 FSTJCWMARYQPKB-TYYADWJGSA-N 577.594 2.564 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408865694 DNIFDOFXOWUEHN-RAWMCFOBSA-N 547.311 2.838 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(OC)ccc(C)c4s3)cc2)CC1 11758010 IMNFGSDPHWJZBW-UHFFFAOYSA-N 533.632 2.833 50 40 KFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 28213046 MISOFCQVKLHVLM-OGLMXYFKSA-N 508.600 2.607 50 40 KFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H]1CCCO1 97947317 BFTWTXIBDRVMQK-UQTDQPHJSA-N 547.637 2.762 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC 408778768 KCDPUYGSXGOJDG-RDRPBHBLSA-N 563.636 2.847 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(F)cc2)cc1OC 409339288 GWUJMNIEOFRUFF-ZZIIXHQDSA-N 526.546 2.535 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc(Br)c(O)c(Br)c1 17413995 QNJLPGAFPHKGCU-SJGMLKTKSA-N 540.193 2.697 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59646458 CONQIZFSKWAMGZ-JFLMPSFJSA-N 570.580 2.809 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)c1 408877558 VTBWMUNQWDANHR-WGOQTCKBSA-N 500.621 2.739 50 40 KFGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(C)=O 409223656 JCNAKQIQIRWXOW-UHFFFAOYSA-N 537.525 2.973 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409252458 XWOVWLMNUIMDQP-ZVBGSRNCSA-N 528.372 2.882 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409170155 UAVAUGRJXIYJNV-YSURURNPSA-N 570.771 2.699 50 40 KFGB O=C(Cc1ccccc1)N/N=C(/C1=Nc2ccc([N+](=O)[O-])cc2N[C@H]1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 104295698 OSMQTLIEDLTQMN-BQCITWTGSA-N 504.459 2.768 50 40 KFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1 408997203 CMTVXMWGYANBBF-IPWRAFNYSA-N 549.422 2.873 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409163196 NJSKFUYECASYAG-APYSBUGJSA-N 547.406 2.529 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1 409175130 QISJEJNRQHQEBX-LZKBWWOWSA-N 547.406 2.611 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 102658268 UTWBUOTXVVOIPF-DCIMDAQESA-N 526.225 2.878 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)NNC(=O)c1ccccc1Cl 408682358 GEHNQGKNTGYSBI-KPIIRZJKSA-N 564.809 2.928 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409264395 LDVWEDSPDYEXCC-AMVVHIIESA-N 532.553 2.825 50 40 KFGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1[N+](=O)[O-] 9329022 NXZVRSVTPWFFGB-FSJBWODESA-N 509.508 2.596 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1C 408690614 WBKHRKZMDABJAI-CODIQVEGSA-N 556.251 2.952 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccccc1Cl 409268737 YJGRZNLLTWMJMW-XODNFHPESA-N 508.918 2.853 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 20213015 KNFFRPHMDHGONP-CVKSISIWSA-N 521.039 2.956 50 40 KFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)c1 28213166 JFGJYKVGMLLODT-MZJWZYIUSA-N 512.588 2.508 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408660540 AHGSDQXMROPVOT-UHFFFAOYSA-N 534.363 2.739 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1 408678164 BKJLZYAUDMHAKP-OOLZNYFQSA-N 562.642 2.990 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1 409251712 BEZKVDCUKIVECF-LZKBWWOWSA-N 502.955 2.502 50 40 KFGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)nnn1-c1nonc1N 2351989 XDPVETOLWYBUMV-BHGWPJFGSA-N 528.371 2.861 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1 9066529 DWJBHHFYNMKTMA-WPWMEQJKSA-N 522.583 2.727 50 40 KFGB CCOc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc1 25783814 PBJORMYCFCTUKH-YUMHPJSZSA-N 501.551 2.738 50 40 KFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)ccc1OCc1cccc2ccccc12 97966592 PMKYSSHQFZNRKF-WCMJOSRZSA-N 583.609 2.569 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408688117 PZBFHFQTYGRPAC-BZDUYGCESA-N 525.385 2.591 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCC(N)=O 408872161 AEJRCIMOHVCFPA-ROJKJRQJSA-N 634.880 2.511 50 40 KFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(I)o1)OCc1ccccc1 408994340 YPASSIJMSCPMLM-VYPBGABDSA-N 507.288 2.595 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409268433 TXZLLTDNZYFOKQ-VULFUBBASA-N 519.396 2.848 50 40 KFGB NCCCC[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NN)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460465 MOMPTAGUZWFRFO-KAYWLYCHSA-N 591.665 2.883 50 40 KFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccccc1Cl 409266821 YQMOQZFSEWJOSV-XODNFHPESA-N 508.918 2.853 50 40 KFGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Br)cc2)ccc1OC(C)=O 409379829 ZWXBZYJTMCQIGR-UIOOFZCWSA-N 731.461 2.614 50 40 KFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@H]2C1 8442021 XZWYBEIJACNHEQ-RPLLCQBOSA-N 516.646 2.932 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(I)cc(I)c2O)cc(OC)c1OC 98001286 IMSAVAQSIRJHPB-LIMNOBDPSA-N 639.184 2.507 50 40 KFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409026571 SGLKFRUYSWIKRU-RDRPBHBLSA-N 571.055 2.923 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029270 XZSVCJKTLJZJAO-UZWMFBFFSA-N 640.715 2.686 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409170781 XFXWBWPWWIJAER-OPEKNORGSA-N 505.369 2.678 50 40 KFGB COC(=O)c1cccnc1NC(=S)NNC(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 20618291 KWEXDXJSNZWUNQ-UHFFFAOYSA-N 511.938 2.670 50 40 KFGB COc1cc(C=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 85886441 BNUABCKSURGDIW-QHCPKHFHSA-N 515.526 2.570 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(Br)c2)c(OC)c1 408956650 RLJGTZOABBXKKG-ALUCDORFSA-N 561.389 2.883 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408683865 IZQSBQPQYUSBFF-VNUXUXBQSA-N 542.224 2.645 50 40 KFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)c1 408873091 MTGRSZCFMCPYLH-MZJWZYIUSA-N 512.588 2.508 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@H]2C(=O)OC)cc1 409317762 RTWKPHIZEMFLJY-SFTDATJTSA-N 509.540 2.591 50 40 KFGB O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 100057059 QPWZPIALBBRFKO-QOMWVZHYSA-N 530.404 2.839 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408682823 HBHWDSZCSIOADF-IXFQNSDBSA-N 600.260 2.513 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)c(I)c1 1529546025 CKZBMEHXFPGGFV-BMJWKCNQSA-N 652.467 2.640 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 13785156 BNUABCKSURGDIW-JSPCPOQUSA-N 515.526 2.570 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)c1 20060680 SWZDVKCQQJGHMD-JVWAILMASA-N 525.583 2.901 50 40 KFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)c1 28213089 IHGOPOMVXKJGPI-RDRPBHBLSA-N 522.627 2.649 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344023 FLBHBFNRUMLXKD-CVKSISIWSA-N 527.555 2.756 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408685909 MGDDOBDSOKSGGV-CODIQVEGSA-N 556.251 2.952 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408773436 REGDUOZGLSSNHK-JVWAILMASA-N 538.582 2.925 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 408877770 WWUOZDSYXLFGMZ-JFLMPSFJSA-N 570.580 2.809 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(OC)c1 408923773 LXQNRFJTWBNNGZ-BDWZVBCLSA-N 505.531 2.897 50 40 KFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409315136 NMELSJGXAUTFIP-LEWJYISDSA-N 509.540 2.591 50 40 KFGB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC#N)cc1Br 103134417 BYYVDQIKTYFMQK-ADLMAVQZSA-N 562.851 2.885 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 408855714 CRNDPQIDSIHOOC-LQKURTRISA-N 570.624 2.646 50 40 KFGB COCc1c(Br)c(C)nc(OCC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c1C#N 409222667 DAGKLKOVAOIMAK-UHFFFAOYSA-N 537.168 2.785 50 40 KFGB O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccc(Br)cc1 823378 PFSGZQMYDBPCFH-PTGBLXJZSA-N 522.197 2.982 50 40 KFGB Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)NNC(=O)c1ccc(Br)cc1 929966 YUHYBRTXZWRQGZ-UHFFFAOYSA-N 514.409 2.792 50 40 KFGB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1C=CC(C#N)=C[C@H]21 103873389 WPJSCVOHMKPYEI-NMIHRBCNSA-N 515.438 2.530 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1Cl 408856262 BRJQXVXBFTWHCL-UVHMKAGCSA-N 549.005 2.553 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OCC)c1 409169906 SWHSNBCFEBNEFA-DHRITJCHSA-N 505.369 2.842 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409251519 PJGPKVBYRBYLMK-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB CCOc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 2282145 HFPNYZAAFBMNTI-JVCXMKTPSA-N 500.511 2.611 50 40 KFGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccccc1 4175167 LSXCXWSRXHPUFM-UBXVHVAWSA-N 513.182 2.581 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 100093880 PMZMIZUUNBPSPJ-CGKHLXHRSA-N 565.652 2.672 50 40 KFGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)c1 102994290 OMRFUKFFLBPURI-UHFFFAOYSA-N 550.688 2.515 50 40 KFGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408952497 WEBDSOTZHGUCIC-SANMLTNESA-N 550.637 2.982 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC#N)c(OCC)c1 408953732 XXQKSRWEQBVUEH-RUZDIDTESA-N 551.625 2.873 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 409027956 VOPMSCWUZRHUSM-ZVHZXABRSA-N 527.515 2.998 50 40 KFGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 409196386 UMIHVUZCYIZVAM-XLCPLWEUSA-N 503.397 2.759 50 40 KFGB Cc1nc(C)c(NC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1NC(=O)NNC(=O)c1c(C)nc2ccccn12 96021975 SVIZQGQLKDZAES-UHFFFAOYSA-N 569.586 2.544 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)O 103522563 BGYZZUPIXBTHQV-JPDYEWESSA-N 568.664 2.640 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408677507 ATCDHIZATWQPDX-DRXMDHDWSA-N 592.668 2.997 50 40 KFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409159686 RUOXVVNTOUHOAV-BRJLIKDPSA-N 505.369 2.760 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC 409248102 BZFFLCXCTHZLSL-OCSSWDANSA-N 518.570 2.839 50 40 KFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)c1 28213178 UXOVSNZDUGDAET-STBIYBPSSA-N 522.627 2.915 50 40 KFGB CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](SC#N)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 104076533 KNVWFCHBELVGHR-IVAOSVALSA-N 513.615 2.737 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccccc1C(F)(F)F 408688756 XJEDXNVBSGKGND-HOWZHXDLSA-N 582.167 2.965 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1 408688976 RKAWCAZYUUDIPV-LVEBTZEWSA-N 581.055 2.853 50 40 KFGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCC(=O)OC 409371224 FESMIMXNEGBTRQ-JJFYIABZSA-N 541.298 2.843 50 40 KFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 20061219 KYODYGHIODVUPW-FGAYPWGZSA-N 530.647 2.781 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408687172 OJPJNJHQVVTBLL-SYMSYNOKSA-N 530.213 2.707 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408690201 UFWKJQPWQPVUPC-YZEAIEHJSA-N 556.251 2.953 50 40 KFGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408768538 XUWZJRZCTURWOB-ROTLSHHCSA-N 553.822 2.941 50 40 KFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2c(c1)OCO2 408992410 BDVDDVKDYVHFPB-ROTLSHHCSA-N 567.380 2.780 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(I)cc1 409023093 IYZRDCGDQQTIEC-DNTJNYDQSA-N 580.198 2.699 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2O)c1-c1ccccc1Cl 1873869 SBSKLKVFMBCDPO-GZIVZEMBSA-N 503.704 2.785 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]21 408690769 WPSDCHGFIWLSKB-UHVFKWDWSA-N 507.930 2.660 50 40 KFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1OC 408776479 ZRVUSSKKSCLFLJ-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408781291 BYXBEWDODHXAFD-OGLMXYFKSA-N 547.593 2.528 50 40 KFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 408825446 ANMKZPWNKSUQAZ-CCVNUDIWSA-N 545.017 2.867 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 408947571 NZAPAVUUKPGEDU-HXUWFJFHSA-N 592.428 2.948 50 40 KFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2)OCc1ccccc1 408985178 ACSHSRQAMIFQJD-YLUJQFKGSA-N 514.336 2.889 50 40 KFGB CCCn1nc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2c1=O 13148220 RXQKHESLXPWJDM-UHFFFAOYSA-N 508.538 2.640 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408864991 BMCKFRORTFQCCB-JDLKFOHLSA-N 591.008 2.949 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409310045 POVNGKCOHHCLFP-RBUKOAKNSA-N 534.388 2.838 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408538228 ZINMRGVZGRBSMM-PKOLSWDWSA-N 561.336 2.501 50 40 KFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408771463 GPBJBYZKYYFQMZ-FMCGGJTJSA-N 519.377 2.918 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 408944730 JNWOLFIRDFYIAF-FQEVSTJZSA-N 547.977 2.839 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2OCC)cc1 409249952 KFXAGAXOLNAAHN-STBIYBPSSA-N 528.606 2.883 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC)c(Br)c1 1529548008 VINVNHWXFHGRHF-ZJAURVBUSA-N 619.494 2.886 50 40 KFGB CC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408686976 OATWIBQWFCRCTF-YZEAIEHJSA-N 570.234 2.539 50 40 KFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccc(-n2cccc2)cc1 9478057 SYCWZBINNCORPV-OGLMXYFKSA-N 508.546 2.740 50 40 KFGB CCc1ccc(O[C@@H]2O[C@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 12659781 KRZYBMJVFWZNJJ-OUUBHVDSSA-N 520.316 2.583 50 40 KFGB biogenic COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100518931 DFSICQVPFWZDFN-IPWHYPCCSA-N 543.208 2.589 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101052213 UTWBUOTXVVOIPF-KTSXYBPLSA-N 526.225 2.878 50 40 KFGB CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 408685503 LJKIWKGCXPZVRP-GOSISDBHSA-N 516.348 2.608 50 40 KFGB CC/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408833204 RYGKJTZONUAQPF-WBWFXSCKSA-N 600.719 2.698 50 40 KFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 409142406 KHEKTTUTLUCARH-RWPZCVJISA-N 545.017 2.948 50 40 KFGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(N)=O 409251805 BRMVOSCMFPFKOY-AFPJDJCSSA-N 501.708 2.971 50 40 KFGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1 409375644 NLCXTMYFWFRRDI-CFRMEGHHSA-N 522.421 2.938 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 59883201 IGUHHUZDQPCCQA-JVWAILMASA-N 540.598 2.638 50 40 KFGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)cc1 408535942 PEMKBTVFHODXNU-FEGPCZTRSA-N 513.510 2.871 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC 409162626 GMABQXGUIMWNFK-KBVAKVRCSA-N 548.596 2.847 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 58881959 WRNYWDCTDHHPCL-STBIYBPSSA-N 502.527 2.647 50 40 KFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C3=C2CC=CC3)cc1 101181499 JTUKVVZCYUOKNT-MEFGMAGPSA-N 508.512 2.781 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408687255 ONYTXTOZAIRPPE-JNYDFHNISA-N 570.234 2.539 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408837314 CBIFBAJYEANXEF-NDZAJKAJSA-N 580.663 2.587 50 40 KFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(N(CC)CC)cc3O)nnn2-c2nonc2N)cc1 9357168 NPKXFDKQDNJXOB-VULFUBBASA-N 505.539 2.614 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408685911 MGDDOBDSOKSGGV-YWIVVUNNSA-N 556.251 2.952 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1OC 408785190 ZLVANXLKLBMROE-RDRPBHBLSA-N 563.636 2.847 50 40 KFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409025355 PRFACJIINIPJNJ-LPYMAVHISA-N 528.372 2.556 50 40 KFGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 408763132 HSCPMCINGSHETM-XNTDXEJSSA-N 522.333 2.891 50 40 KFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 58881929 KKUSCNLNWFBBTK-STBIYBPSSA-N 504.543 2.530 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409169979 RPDZCMHQBSMHBV-LIMNOBDPSA-N 502.152 2.970 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547517 LLDXDPXMOXPODK-WZAVBVGXSA-N 584.651 2.522 50 40 KFGB COc1cc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 35153360 UBORDEBYKPOPHE-XFPKHNAPSA-N 530.578 2.899 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2)cc1 59443684 ZFYVMIARNHOQCQ-VULFUBBASA-N 508.556 2.715 50 40 KFGB CCOC(=O)[C@@H]1C(=O)C(CN(CCCl)CCCl)C(=O)[C@@H](C(=O)OCC)C1c1cc(OC)c(OC)c(OC)c1 104154728 GTCNZQGJCQXCFS-APHPEJJXSA-N 576.470 2.702 50 40 KFGB CO[C@H]1C[C@@H](C)CC2=C(NCCCl)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@H]1O)C2=O 104211038 NDSRHDSAGOYHHW-UWLHQVGNSA-N 608.132 2.590 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408680709 DSKVRHYFPUSJDQ-YWALVYIISA-N 542.224 2.645 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cccc(Cl)c1 408860552 YCEONVINQGVIRS-STBIYBPSSA-N 543.045 2.994 50 40 KFGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408951376 TWDYBJAUPYVHTF-VWLOTQADSA-N 554.625 2.514 50 40 KFGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1 2289316 QAHMLWDFRYWOPI-QPJJXVBHSA-N 536.180 2.822 50 40 KFGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O 20061128 WWOOLFCYVVFAQA-CLCAUBNZSA-N 508.600 2.687 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)c(C)c1 28213149 BWAVUXFCSFFDKV-MZJWZYIUSA-N 512.588 2.508 50 40 KFGB c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(CN3CCOCC3)oc2N2CCOCC2)cc1 33355050 VSUPYDSLSCORAM-UHFFFAOYSA-N 514.586 2.963 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344243 KWIHSXJVOAYSHS-MFKUBSTISA-N 528.543 2.966 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409160529 QYVRDYGFMXZZNO-KKMKTNMSSA-N 590.374 2.985 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377482 IQXASZDEZIMTNN-GOTSBHOMSA-N 534.521 2.609 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1 409002111 SMZPIKXIAYQULZ-QRVIBDJDSA-N 509.344 2.661 50 40 KFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(Br)c(O)c(Br)c1 409012308 QHGHXTUPDVZTFL-FOKLQQMPSA-N 541.196 2.919 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409255570 IAWYFTVYYAHBCM-HNAPYZNHSA-N 516.982 2.810 50 40 KFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1I 971719 GLHJYIBUQYEWMY-AWEZNQCLSA-N 514.117 2.620 50 40 KFGB O=C(CN(C(=O)n1ccnc1)N(CC(=O)NCc1ccco1)c1nc2ccccc2o1)NCc1ccco1 13566958 VSGWMGQOABYAJD-UHFFFAOYSA-N 517.502 2.535 50 40 KFGB CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)nc(N)[nH]c43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195761115 CWVNMKRKFJYCCC-CNTRQJEFSA-N 525.755 2.917 50 40 KFGB in-vitro Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 408860609 ZZWHCQARJHHBBP-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)cc1OC 409310051 PQFLKAKENBVBHO-MYKKPKGFSA-N 541.342 2.725 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409377484 IQXASZDEZIMTNN-XZOQPEGZSA-N 534.521 2.609 50 40 KFGB O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 3169817 HXDXYIRLLLKRJD-LKUDQCMESA-N 507.772 2.638 50 40 KFGB COc1ccc(/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 38799114 QNYYSEPUJTWEGC-ZPXSHNHFSA-N 502.593 2.832 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 100284307 OPSJYYHZDSBSSV-LQKURTRISA-N 555.609 2.910 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(Br)c1 408870421 VRTWXULMGUIMCM-DNTJNYDQSA-N 533.198 2.857 50 40 KFGB O=C(CCl)N(NC(=O)P(=O)(N1CCOCC1)N1CCOCC1)c1ccc(Br)cc1 3190914 JFJKDELKYVCGKP-UHFFFAOYSA-N 509.725 2.503 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408841991 NBKNFHSUXLFRGO-OJANRJRPSA-N 595.634 2.614 50 40 KFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409025419 QYMAFZMBCGXYBQ-KGENOOAVSA-N 515.373 2.996 50 40 KFGB CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)O 103522561 BGYZZUPIXBTHQV-DZRHZBLYSA-N 568.664 2.640 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc(OC)c1OC 408535645 OIPCRCRSPAOBSV-XCHWQBBTSA-N 573.562 2.888 50 40 KFGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)c1 408537897 XZMKJUOXYQKZFV-OACFBJNDSA-N 501.543 2.846 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408800189 NOBBLBSUWITNCI-QNKGDIEWSA-N 617.684 2.927 50 40 KFGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 408834332 VXRAKSUFWIUORL-QRQIAZFYSA-N 526.615 2.582 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(Cl)cc1 409384787 FOVPYIBWAZUGRE-UXHICEINSA-N 510.886 2.637 50 40 KFGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 2053800 FZZLJZKCKMYYRC-JQAMDZJQSA-N 503.475 2.572 50 40 KFGB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 2654833 HQJIQPZKTUNCQV-UHFFFAOYSA-N 525.967 2.984 50 40 KFGB Cc1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408681604 FPPJTSWSLBPAON-ITJKTZAOSA-N 542.224 2.643 50 40 KFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408740470 GFMOVGZGVNGVAH-PZEXIZOFSA-N 536.389 2.616 50 40 KFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 408922775 SBTQWFXABYPTKR-YSRRJJCPSA-N 512.382 2.881 50 40 KFGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3663335 BERUFKKUDVBCQA-HZHRSRAPSA-N 520.589 2.979 50 40 KFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(C)(=O)=O)cc1 59436960 UHVUGHGFPNKRJV-AEOXGOBCSA-N 514.398 2.780 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 100203243 DWQSPYLSAFFFPC-JJFYIABZSA-N 550.347 2.518 50 40 KFGB CCOC(=O)[C@H]1C(=O)C(CN(CCCl)CCCl)C(=O)[C@H](C(=O)OCC)C1c1ccc(OC)c(OC)c1OC 104154720 RORYMSBJNFWMIT-PEVDHWGLSA-N 576.470 2.702 50 40 KFGB O=C(Cc1ccccc1)N/N=C(/C1=Nc2ccc([N+](=O)[O-])cc2N[C@@H]1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 104295692 OSMQTLIEDLTQMN-NGFVJXHGSA-N 504.459 2.768 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408675190 AJIZRRJFACKAFR-JNYDFHNISA-N 600.260 2.513 50 40 KFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OCC(N)=O)c(OCC)c1)c1ccccc1 408998608 BMFBBTGNFPEGQV-WUERFNLMSA-N 582.395 2.882 50 40 KFGB Cc1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(=O)n(-c2ccccc2)n1C 101077367 ZGEPHLPYXYPOPG-JQOWZUPLSA-N 509.198 2.767 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408689066 XZMSIRIBPFHMCL-JYUSNPHGSA-N 542.224 2.563 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(OC)c1 409156275 RQKYJDFPUGODQN-OCSSWDANSA-N 534.569 2.887 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccc(Cl)cc1 409158327 YCVRKAJLYRXIAY-IBNQTYSGSA-N 537.798 2.865 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408686735 NRVSHJAAIIRUCV-IFPKNTHLSA-N 572.250 2.733 50 40 KFGB CC/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408833201 RYGKJTZONUAQPF-JJMKSGPCSA-N 600.719 2.698 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1OC 1529544326 CAKONOCZXXRWDF-NSZYMRRGSA-N 512.588 2.589 50 40 KFGB CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCOc1ccc(-c2nnc(C)nn2)cc1)(OCC)OCC 1857791869 KTMPHUUZMIOJLF-UHFFFAOYSA-N 639.823 2.632 50 40 KFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 3252757 OLFZGUMEBVGQLU-XNTDXEJSSA-N 528.524 2.982 50 40 KFGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc12 17247134 DBBKUUVCHZZUBG-OKILXGFUSA-N 506.606 2.868 50 40 KFGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 103033998 NEKQABSXPWUQPL-UHFFFAOYSA-N 515.341 2.666 50 40 KFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNS(=O)(=O)c3ccc(Br)c(C(=O)O)c3)c2)cc1 3450459 MPKTXZJSVMUCSA-UHFFFAOYSA-N 584.426 2.580 50 40 KFGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=C1CCC(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 33354280 VHBKWZOQNJNIOU-UHFFFAOYSA-N 556.448 2.623 50 40 KFGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1cccc(I)c1 408785346 WOKLODQTJRFONL-SDGJFRJFSA-N 652.536 2.895 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408868051 NCZDHHLHXUSQOD-PPDIBHTLSA-N 532.340 2.939 50 40 KFGB COc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408995860 BRVPCZJZGQQMJO-LQNQUEJISA-N 598.678 2.961 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccc(I)cc1 409024586 FHIWWPSNPHXQOZ-STBIYBPSSA-N 634.496 2.945 50 40 KFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409229928 AZCCPYYQYKTSEZ-SDQBBNPISA-N 538.273 2.558 50 40 KFGB O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408874055 YYIUNWIWZNXXIV-QDTIIGTASA-N 516.341 2.608 50 40 KFGB O=C(N/N=C/c1ccccc1Br)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 100054167 JGZPLIVKRBHTBG-OINMWHHXSA-N 591.509 2.663 50 40 KFGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409383040 TXAGVAOAWGAUCL-BJKOFHAPSA-N 561.547 2.559 50 40 KFGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)C2=O)cc1 408536410 RIQOHYAVNFAVLM-BLTJSFDWSA-N 589.561 2.588 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1C 408691208 YVOGXLBXQURXBX-LBCGREOCSA-N 556.251 2.953 50 40 KFGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409336815 UWOZDYBGPMUZOL-IRXDYDNUSA-N 516.403 2.626 50 40 KFGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(I)c1O 3116153 DBYRNBLITSBQBL-LSFURLLWSA-N 501.708 2.929 50 40 KFGB NCCCC[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460450 MOMPTAGUZWFRFO-SVBPBHIXSA-N 591.665 2.883 50 40 KFGB COc1cc(/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104379508 IPSJTJIXZGYCIB-KSFPGZNDSA-N 562.645 2.849 50 40 KFGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408874139 ZBOVXAAZCKKOOY-RHANQZHGSA-N 540.642 2.890 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409159063 YUWVYUBIPRNICD-UVHMKAGCSA-N 537.386 2.987 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC 100304923 FFVQIXZKBHMVOF-YZSQISJMSA-N 526.571 2.996 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccc1Br 408740813 IFCCEPIKMCWMQK-UWPAOYMWSA-N 524.194 2.991 50 40 KFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@H]3CCCO3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322999 MCQCDXLSIRCCGL-JSNMRZPZSA-N 507.996 2.505 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 1529547297 KFIVHLHORLUCHM-RLKVMJCBSA-N 533.006 2.939 50 40 KFGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1 2331540 QKBRQORXWPLIHL-PGGKNCGUSA-N 508.370 2.544 50 40 KFGB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNC(=S)NCc1ccc2c(c1)OCO2 2634355 XBTWSWKPLKWFCR-UHFFFAOYSA-N 516.576 2.973 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)NNC(=O)c1ccc(Cl)cc1 408683350 HXFPTLINKCGFHM-VTLVALNESA-N 564.809 2.928 50 40 KFGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408813271 OZNHOQJTFMBFLB-CHHVJCJISA-N 522.295 2.995 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408862447 YWLJXLRPLJIVAE-WPWMEQJKSA-N 508.600 2.936 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(Cl)c2)cc1 409124910 BYRLULPIXPDIPK-UXHLAJHPSA-N 601.081 2.932 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409167119 GUZKWLJNLKVBAD-KIBLKLHPSA-N 501.754 2.877 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc(Cl)cc(Cl)c1 409184243 JOMLHTNSILBJQA-FSJBWODESA-N 530.390 2.655 50 40 KFGB CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)ccc1OC 409321652 IXTMIJBXGKUFEZ-MYKKPKGFSA-N 541.342 2.725 50 40 KFGB CSCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)Cc1ccccc1)C(=O)NNc1ccccc1 5699331 UQEUZSKJIFIONU-SFTDATJTSA-N 524.734 2.609 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2c(O)ccc3ccccc23)c1CN1CCCc2ccccc21 25784140 AYPZXEBTHXZDQQ-MUXKCCDJSA-N 509.530 2.808 50 40 KFGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 217452249 XRMAYSDANCORFU-MTZAUBMASA-N 525.609 2.788 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1 408922620 GDNUQRFLVLOZLC-UELCYLQASA-N 591.415 2.805 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409166696 GAHMQWJFRLTNKN-HNAPYZNHSA-N 608.433 2.761 50 40 KFGB CCOC(=O)c1ccc(N2C(=O)/C(=C\NNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 8692195 BGLMKQDFXAHMCZ-VNSJDZJPSA-N 513.506 2.852 50 40 KFGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12137546 OARQPYLSDHBYPJ-UHFFFAOYSA-N 528.631 2.842 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 59443731 KZNOGVPFYHDECA-YZSQISJMSA-N 523.571 2.937 50 40 KFGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 408609050 JFJGHEUOJSQFRS-ROJKJRQJSA-N 517.380 2.520 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409387136 NUTRYGDOTLNOSB-FCHUYYIVSA-N 570.938 2.654 50 40 KFGB COc1c(I)cc(I)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 103786097 LNJQSRDRYIORQX-ONNFQVAWSA-N 561.121 2.611 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408685011 KVROAUXTXFHCRC-YWALVYIISA-N 542.224 2.645 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408832596 UXSPQOWWMZUWFM-ZCTHSVRISA-N 610.689 2.595 50 40 KFGB C#CCn1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c2ccccc21 408923693 KFIPFTSPODWWPO-FCRNLXMDSA-N 529.553 2.613 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409266758 RHHLPEGEVKKMDK-KQCGQVILSA-N 523.373 2.765 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)O)c(OC)c1 408946392 MSLBKWCASGAWFQ-HSZRJFAPSA-N 682.493 2.648 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(Cl)c1 409164309 GNFZFPMQWMGTFU-VFLNYLIXSA-N 538.944 2.861 50 40 KFGB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408666097 NSJALGPCTYLQFI-UHFFFAOYSA-N 534.363 2.739 50 40 KFGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1O 408958223 XXXUJSSTBREIAV-HHSRISMTSA-N 522.558 2.849 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408680259 HLGBBFZSRUSFCW-RTBURBONSA-N 526.343 2.523 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408682467 GMVQQYMZJFRRAE-BZDUYGCESA-N 564.809 2.928 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1O 408952086 VHTOYKOZVWDDNC-OAQYLSRUSA-N 624.457 2.890 50 40 KFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(=O)c1C#N 409006441 JILHDMQWDHZFGY-NUJZUDFISA-N 501.543 2.651 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1OC 150475037 UMVDSAJWPZYGKI-SUQIAIHDSA-N 638.743 2.762 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N(C)C 408940341 CDPIJVXTQXFCQF-QHCPKHFHSA-N 540.602 2.546 50 40 KFGB O=C(CNC(=O)c1ccccc1Br)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2282656 OALKTAAVFKFQOY-FAJYDZGRSA-N 535.354 2.975 50 40 KFGB COc1ccc(O)c(/C=N/NC(=O)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2C(=O)N/N=C/c2cc(OC)ccc2O)c1 8384532 FOZRSEIDWTXUND-HNZHSOEWSA-N 587.549 2.796 50 40 KFGB Cc1sc2nc(CC(=O)NNC(=O)CNC(=O)c3sc4ccccc4c3Cl)[nH]c(=O)c2c1C 13039314 ORMIPBSRQXMMCU-UHFFFAOYSA-N 503.993 2.589 50 40 KFGB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc1)N(C)CC3)OCO2 70670121 YICIAVYJQQMWGA-SGYITJBJSA-N 556.539 2.649 50 40 KFGB biogenic CN1C(=O)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 96570030 UAOWCTUECRJGKJ-LQAAPGBJSA-N 502.575 2.711 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2c(c1)OCO2 408998901 VHBVMEFYRCBVPR-MYKKPKGFSA-N 506.353 2.548 50 40 KFGB CCOc1cc(/C=N/NC(=O)CSn2nnnc2-c2ccccc2)cc(I)c1O 3664474 UUFKEXIDXNOQFP-KEBDBYFISA-N 524.344 2.696 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OC 1529547782 OXHOBHBOYUTZFL-YICJJFKUSA-N 512.588 2.589 50 40 KFGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408678436 FMTBEMFRBJUVCO-NZJUZQPCSA-N 557.990 2.925 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(OC)c1 408957791 VZEUGRNZFODVAY-IVCWAIIXSA-N 561.935 2.683 50 40 KFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cn1c(C)c(Br)c(COC)c(C#N)c1=O 409004692 PXAXSGVPBXTLKI-OPEKNORGSA-N 533.383 2.842 50 40 KFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccc(Cl)cc1 409247891 DNHHOEBGOPSOLP-XODNFHPESA-N 508.918 2.853 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409253472 BMKGKQRNDVDSQI-MUFRIFMGSA-N 504.543 2.796 50 40 KFGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1C 6013555 XGTBBNWSENSDHJ-UHFFFAOYSA-N 507.572 2.695 50 40 KFGB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 38152790 WQFSFIJYGDPANA-HNNXBMFYSA-N 532.475 2.599 50 40 KFGB CSc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 100380796 OXUCWZCNIFBAKF-PSQINSSGSA-N 558.707 2.623 50 40 KFGB CCN(CC)c1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 100858419 MJGJZGALWAAPMR-UQQQWYQISA-N 536.496 2.752 50 40 KFGB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc1 102994038 BJDSVTJAKQXDLJ-KRWDZBQOSA-N 557.492 2.937 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408677516 ATCDHIZATWQPDX-KRWMYACASA-N 592.668 2.997 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)c1 408869982 USWXECXEWCRNGN-LQKURTRISA-N 570.624 2.646 50 40 KFGB O=C(c1ccccc1Br)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccccc1 706286 SAGBDRJFUDRWTN-UHFFFAOYSA-N 520.386 2.934 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 408609591 KHGURGCHAUNANX-LGJNPRDNSA-N 533.379 2.626 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408779400 WEFOXTYNOJWIRE-MFKUBSTISA-N 525.543 2.907 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)c1 409024038 HQMIDARUTQBONR-JVWAILMASA-N 541.582 2.601 50 40 KFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409267911 PWSZWWGYDWEOCW-VULFUBBASA-N 519.396 2.848 50 40 KFGB O=C1N=C(O)N(c2ccc(I)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl 9087446 XSGZSMGLQWNANS-LCYFTJDESA-N 510.675 2.550 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1 408607188 CMPVOUZEGFHAIU-XODNFHPESA-N 543.374 2.512 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408675479 AWJFYGGJKVWYJL-HGDKLDNCSA-N 578.641 2.608 50 40 KFGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)ccc1Br 408684413 JYLMTGJWADXWGR-KSXHKMMQSA-N 518.191 2.705 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)c(OC)c1 408955437 ORKVMOLFJZUSKJ-UELCYLQASA-N 667.413 2.937 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccccc1 409165964 BTCRYZUNNCTTFS-MZJWZYIUSA-N 596.422 2.699 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C)c1 409257292 PVBSBJROIWAFCT-IPPBACCNSA-N 518.526 2.516 50 40 KFGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O)c1ccc(Cl)cc1 409381313 STCXMQSNISOCTI-WOJBJXKFSA-N 561.330 2.996 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 20047787 LXJURVPBQCEQJW-JVWAILMASA-N 525.583 2.901 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1Cl 408683788 IVFFFHYXOXGRKG-HGDKLDNCSA-N 562.642 2.990 50 40 KFGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OCC(=O)O 408904039 CSMGMGBINJMAKX-YSURURNPSA-N 535.294 2.841 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C)cc2C)cc1 28212952 YBAKZAJSMSHLAW-RWPZCVJISA-N 508.600 2.822 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408676795 AGCILAOJVFCBOD-IGQFXSRTSA-N 614.287 2.903 50 40 KFGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)O 408858101 JPBWULCDRGVSJG-QJTDOHDFSA-N 509.968 2.506 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)Cc2ccccc2)cc1 408869526 SFDKITGGNMSDOA-BIZUNTBRSA-N 603.657 2.884 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)c(OC)c1 408924003 MPSVPTRENMDWSN-NRDUTDNZSA-N 525.562 2.609 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408958612 ZMHGFCZPPNPQFO-SBLXYKOCSA-N 694.479 2.962 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/[C@@H]1C(=O)N(c2ccccc2)N=C1C 1529544652 KXKWCHOAESWIQW-HRHKXWMISA-N 548.625 2.562 50 40 KFGB COc1c2c(c(OC)c3c(=O)cc(C/C(=N/NC(=O)C[n+]4ccccc4)C(=O)Nc4cc(C)ccc4C)oc13)OCO2 5812482 VKFQKLWJVAEJID-UHFFFAOYSA-O 573.582 2.797 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(C)cccc4s3)cc2)CC1 8683766 ZLSBQISVXSOJGH-UHFFFAOYSA-N 503.606 2.824 50 40 KFGB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)CI)cc21 408533809 PDDUKLWJXUCEJQ-UHFFFAOYSA-N 505.360 2.577 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)cc1 408675746 CBASNRIPEGISLA-DJWYYIDESA-N 548.615 2.600 50 40 KFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408877434 VVWJRTNXWDVYOV-WPWMEQJKSA-N 541.561 2.916 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C 408690710 WLXMRQCNPVHNQJ-BQLFOJHWSA-N 556.251 2.953 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1O 408943218 HGNYQHNJPSEIGX-OAQYLSRUSA-N 502.980 2.931 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC(C)=O)c(OC)c1 408944996 JZCDJHQPGYSUPI-DEOSSOPVSA-N 570.624 2.514 50 40 KFGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cc(Br)cc(OC)c1O 2097664 KYTBSRGZGIVYMT-BHGWPJFGSA-N 557.434 2.976 50 40 KFGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1[C@H](Cl)[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 245240668 RGVQYTFOJGDTOK-REPLKXPHSA-N 510.934 2.758 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Br)o1 408949400 QVTUYCLLORHOQZ-IBGZPJMESA-N 521.393 2.927 50 40 KFGB CCOC(=O)COc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 408953141 WWAPTHVVYAZCHO-VWLOTQADSA-N 584.651 2.522 50 40 KFGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c2ccccc2c1=O 2633566 SHWSBAMOIQQWJZ-UHFFFAOYSA-N 523.546 2.992 50 40 KFGB O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994990 AQRGXSPSWSBSBJ-FQEVSTJZSA-N 538.607 2.944 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 408682354 GEHNQGKNTGYSBI-BZDUYGCESA-N 564.809 2.928 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OC 408856993 IZZQUUCBNDBERF-ZVMZLPNLSA-N 651.561 2.680 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547515 LLDXDPXMOXPODK-FCRNLXMDSA-N 584.651 2.522 50 40 KFGB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 3360136 JDYCDGHMRKYPLN-UHFFFAOYSA-N 546.399 2.892 50 40 KFGB O=C1[C@H]2[C@H](C(=O)N1CCN1C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 256028157 WOFYQUJNULCFLN-IYGHBOEQSA-N 672.006 2.542 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc2c(c1)OCO2 408993486 DJHRMRGZSYWSAX-MYKKPKGFSA-N 506.353 2.548 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(I)cc1 409024881 IOCVWCZRZLPKCE-MFKUBSTISA-N 598.463 2.599 50 40 KFGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 409254844 GBVNKZXGABMATE-STBIYBPSSA-N 504.543 2.878 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC)c(OCC)c1 1529545651 AARGDFDMKFGIPF-FCRNLXMDSA-N 584.651 2.522 50 40 KFGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 101007482 NHRTZUCWHIVCRH-JOBJLJCHSA-N 562.676 2.903 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 101052296 MAIRMMVPQMFZTA-QQPMLANJSA-N 526.225 2.878 50 40 KFGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408772111 BCRZKMWNNXUOFJ-NUJZUDFISA-N 530.368 2.650 50 40 KFGB O=C(N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408847134 PJOSAQMTRNKVGN-SBUZPKSBSA-N 578.772 2.862 50 40 KFGB COC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409242203 VMISREMMGHDOAN-ODCIPOBUSA-N 544.371 2.501 50 40 KFGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 409381097 DYTGNHBVJZUNHU-DNQXCXABSA-N 585.525 2.829 50 40 KFGB COC(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 13527444 SUZFKANDNULJHV-UHFFFAOYSA-N 515.460 2.847 50 40 KFGB CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 165342638 HYSPJPGXSALJRR-JOMNFKBKSA-N 737.767 2.808 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C 408682335 GBZBDZUDWVSSMV-FZKCQIBNSA-N 530.213 2.707 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1 408683449 IBVKUSPDIBIFJW-LVEBTZEWSA-N 536.604 2.744 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408837378 DMPTZTVTWKUQJZ-ZKQTYJKJSA-N 538.626 2.868 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OC(C)=O)c(OC)c2)c(OC)c1 408955542 OVPHHVRVVVHKQT-JQKUNRSSSA-N 680.452 2.954 50 40 KFGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1C#N 409005534 DYUPTPBOGGMOAK-NUJZUDFISA-N 517.542 2.963 50 40 KFGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1cc(OC)ccc1O 2187558 YZMWCMXVGOMVCP-BUVRLJJBSA-N 521.617 2.785 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc2)cc1OC 100304514 IIBLFNLKAHDRHY-CVKSISIWSA-N 542.570 2.962 50 40 KFGB COc1ccc(Br)cc1/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 100852241 GFNKZZKATZKEIM-QRVIBDJDSA-N 574.295 2.677 50 40 KFGB O=C(COc1ccccc1Cl)NNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 103039942 QINPWPFIMPVEGM-UHFFFAOYSA-N 529.018 2.691 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408682824 HBHWDSZCSIOADF-JNYDFHNISA-N 600.260 2.513 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408685007 KVGWXGWMQIWYJJ-RNJOBUHISA-N 566.630 2.752 50 40 KFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408996861 KFKDUHKHXVFFKY-VEILYXNESA-N 539.610 2.631 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409171017 YKLGSYFEFZGTES-LUOAPIJWSA-N 594.337 2.816 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409257377 SJFNMKYSWNIRBX-OPEKNORGSA-N 517.380 2.821 50 40 KFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1O 59490207 ZBTUWPLCZVQFLC-VULFUBBASA-N 515.519 2.657 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857191 SCBDTZHBNLXJCH-CVKSISIWSA-N 556.553 2.883 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408860046 RGDSGKBMYZOTQP-LQKURTRISA-N 555.609 2.910 50 40 KFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2OCC)cc1 409153975 JKFKGEHGKJXGAS-WCMJOSRZSA-N 562.579 2.997 50 40 KFGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc(OC)c1OC 15134240 MQEUWRZJCWTWRE-IPPBACCNSA-N 509.490 2.951 50 40 KFGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1 19953756 KPEFRTNJGVNDBE-HADWXUJASA-N 515.373 2.995 50 40 KFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 100351883 IFJVMERSDDZBCS-DLOXVRGRSA-N 608.717 2.753 50 40 KFGB COc1cc(/C=N\NC(=O)CCSCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104376803 WWHFOGVOTCGARH-XFPKHNAPSA-N 562.645 2.852 50 40 KFGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccncc3)C2=O)SC1=S)NNC(=O)c1ccncc1 150454895 YXAKIQAGPWMLKH-WCWDXBQESA-N 728.904 2.752 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1 408683452 IBVKUSPDIBIFJW-SYQHCUMBSA-N 536.604 2.744 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1 408819199 WZVHDFVXVWUJQU-ZRGSRPPYSA-N 502.314 2.930 50 40 KFGB COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1O 408868666 NYHMEKWXFZLANV-AWQFTUOYSA-N 535.214 2.842 50 40 KFGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)c(OC)c1 408873861 WIVBFODTBCPMCV-VIZOYTHASA-N 522.295 2.995 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409247448 CGSLHHVXQMKXIL-BHGWPJFGSA-N 503.353 2.512 50 40 KFGB CN1CCC(=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 59444646 UCVBWMRYODUHHW-UHFFFAOYSA-N 507.454 2.880 50 40 KFGB O=C(CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccccc1 100557554 LSXCXWSRXHPUFM-DBRRIZINSA-N 513.182 2.581 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(I)cc1 409025445 VBJMHRNLDRPQHO-UFFVCSGVSA-N 545.424 2.702 50 40 KFGB COc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 12568400 WRQKNNMISDNMDZ-KRWDZBQOSA-N 511.556 2.811 50 40 KFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 19952764 XSBFDAKAXXBNSB-UHFFFAOYSA-N 514.361 2.512 50 40 KFGB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(C(=O)N/N=C\c6ccc(Cl)cc6)=NO[C@H]45)[C@H]3C2=O)cc1OC 59501449 CAPXRKXPGPCLOF-JWYRHJRQSA-N 550.999 2.672 50 40 KFGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100557650 ROIGSQZNJHPUNL-IPWHYPCCSA-N 527.209 2.889 50 40 KFGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccccc1O 105442881 GKCKUYYMVYLAJN-TURZUDJPSA-N 533.610 2.926 50 40 KFGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584727 SOIBTDGGFUFJDU-SSGMYWTASA-N 570.693 2.688 50 40 KFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408777636 DTJZQLUGPAFOST-RDRPBHBLSA-N 561.620 2.755 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NC[C@H]1CCCO1 408837509 HLXDVZSTOCSDJY-UJEJHLKSSA-N 595.634 2.614 50 40 KFGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1 4017899 YWBGXCYLKKXJPY-GCFMLEDASA-N 642.308 2.972 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c(OC)c1 58881865 KRAPVYZGWSSDSL-STBIYBPSSA-N 504.543 2.530 50 40 KFGB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC#N)cc1Br 103134410 BYYVDQIKTYFMQK-VOJFVSQTSA-N 562.851 2.885 50 40 KFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408533610 KHNLHICSUANSEC-WMGMBDKSSA-N 503.437 2.915 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408691444 ZWMDBMYMTMHDIM-SYMSYNOKSA-N 530.213 2.653 50 40 KFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408779051 PYOPMYPYIJYKTR-MSXFZWOLSA-N 504.952 2.817 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)cc1 408866363 FGPAJXGKIYIBEP-MUXKCCDJSA-N 584.383 2.563 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/[C@@H]1C(=O)N(c2ccccc2)N=C1C 1529544647 KXKWCHOAESWIQW-BJMHHOSZSA-N 548.625 2.562 50 40 KFGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 15978458 NDFHRUBVWHAGAJ-CVEARBPZSA-N 523.999 2.605 50 40 KFGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408533625 KIKVFNFTTCGZPP-YTIGJDNKSA-N 575.363 2.891 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409325018 WPZSNUVSQUULED-QZTJIDSGSA-N 510.410 2.701 50 40 KFGB COc1cc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc(OC)c1OC 12137515 PUZHJQVCXPSUQP-UHFFFAOYSA-N 517.604 2.694 50 40 KFGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c3ccc(Br)cc32)cc1 104042600 DDOFOYDREXONKQ-OUYCHWKJSA-N 606.477 2.942 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409254356 DMNLTHZMYVXCNT-OCSSWDANSA-N 518.570 2.839 50 40 KFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccccc1Cl 409259932 HZHNFPSNTFNOBC-XODNFHPESA-N 508.918 2.853 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)c(OC)c1 408957888 WOPNKSWNJUOKSW-SKOAPIPBSA-N 710.478 2.882 50 40 KFGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 20214203 GAVNHHJLPWOXBO-OEAKJJBVSA-N 513.488 2.857 50 40 KFGB CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nnc1-c1cccc(NC(C)=O)c1 408637991 PDEYUKFAAYRXKC-UHFFFAOYSA-N 502.984 2.895 50 40 KFGB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1C 408691207 YVOGXLBXQURXBX-FSMQDNEQSA-N 556.251 2.953 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)c(OC)c1 408955939 PRIVRYINTUANBG-SKOAPIPBSA-N 663.478 2.738 50 40 KFGB O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C\C=N\NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 101708671 PXTPSITZQVIGHT-LWKKFVLGSA-N 602.152 2.690 50 40 KFGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)c1C#N 409065896 VDNPKWRQNSPFQN-DBFSUHOCSA-N 562.539 2.872 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@@H](CS)C(=O)O 100782981 WOSYRGZUEPPFDW-CQFMBXSDSA-N 600.731 2.548 50 40 KFGB biogenic C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408684982 KQRNQBFVTMXNBE-YAMWFFNZSA-N 562.642 2.988 50 40 KFGB COC(=O)CN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 2542372 VYQUWECQUUMRNG-JLGDEJIISA-N 542.548 2.515 50 40 KFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@H]2C1 97940243 JNGUHFCCOAKBHN-JYFHCDHNSA-N 546.628 2.678 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@H]21 408690442 VJNWDWHDJPNBMF-UKYAFMKFSA-N 507.930 2.660 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 408690711 WLXMRQCNPVHNQJ-IXFQNSDBSA-N 556.251 2.953 50 40 KFGB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408744130 YUWZZVOLNLNYTM-QDCCHXAWSA-N 506.971 2.742 50 40 KFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC 408876674 PTOUCWDNEXTZAN-UXHLAJHPSA-N 607.645 2.984 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409110620 FKYYZIHFSSEXCQ-STBIYBPSSA-N 568.608 2.969 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)N1CCOCC1 409150910 FOSKEXMTRAJHGH-LGJNPRDNSA-N 567.824 2.828 50 40 KFGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1Br 409263373 KNCJZWCOFOKAES-ROJKJRQJSA-N 517.380 2.520 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857188 XUHNMTPZVJWUCT-ZVHZXABRSA-N 543.514 2.866 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc(OC)c1OC 408531541 HATJUYPCYLBXML-BLTJSFDWSA-N 573.562 2.888 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408604270 HYFZYMAOYLCPLZ-BHGWPJFGSA-N 545.761 2.745 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408877858 XJWQAQZRMRGGKL-VOWJQMTESA-N 568.627 2.845 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1 408926653 VPZDMAKABJPSNK-UXHLAJHPSA-N 601.081 2.932 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)c(OC)c1 408948671 DBNTXQHNBUUBFU-AQZXLPCASA-N 649.451 2.650 50 40 KFGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1OC 409332922 SJBPBTNNXWVVBP-AZPGRJICSA-N 522.583 2.704 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc2)cc1 2300084 NJIUAWLEIIUJAT-MFKUBSTISA-N 512.544 2.953 50 40 KFGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1 12585318 BHMQQEDTIXDVQH-HZHRSRAPSA-N 513.845 2.949 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]12 408683311 HTTHXOXPCVZYAU-MQYXYMALSA-N 507.930 2.660 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(OCC)c1 408946970 NENXDWRZSRNNSQ-QHCPKHFHSA-N 512.588 2.676 50 40 KFGB CCNc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(OC)c2)cc1[N+](=O)[O-] 12528887 ILXRURPFUNRLQT-RLAYTXFSSA-N 513.551 2.814 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccc(Cl)cc1 28213306 IIEUGAVMEQCFQC-LGJNPRDNSA-N 518.979 2.545 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(Br)s2)c1CN1CCCc2ccccc21 102278497 GVNBHSDKBWTNBQ-RMORIDSASA-N 528.396 2.773 50 40 KFGB CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)nc(N)[nH]c43)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 195818085 CWVNMKRKFJYCCC-LNNXQNCSSA-N 525.755 2.917 50 40 KFGB O=C(N/N=C/c1ccc(I)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408855934 AANAGEWTZRUJGU-LEBHLANCSA-N 507.737 2.841 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1OC 408876377 LCCHOEPTYPHELI-JVWAILMASA-N 540.598 2.638 50 40 KFGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1 408925034 RZTQOUZWOQESGQ-NRDUTDNZSA-N 508.531 2.590 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409166953 GRWKXFGTPTUFHP-PNQUVVCRSA-N 648.385 2.952 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br 1529548031 WEQOHOUQKQALMB-BKVYHCDLSA-N 649.520 2.895 50 40 KFGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408926856 ZPDHKRBWQFKNFY-NRDUTDNZSA-N 508.531 2.590 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857183 FKWUNCJRZMZZNM-ZVHZXABRSA-N 543.514 2.866 50 40 KFGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 100365683 KDVDRFWWIVKBAT-FLIRZAHCSA-N 512.522 2.621 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 408999033 JUYBVSIEWBZGCI-UXHLAJHPSA-N 533.560 2.651 50 40 KFGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 2247831 ZJFSWXXHOXHYFL-LIMNOBDPSA-N 518.277 2.887 50 40 KFGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3209961 YFNXUKQKVCOJAA-YZSQISJMSA-N 538.538 2.599 50 40 KFGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)c1 408537908 XZMKJUOXYQKZFV-VUDVWZHNSA-N 501.543 2.846 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408675855 CBYJPAODJQTHIW-IGQFXSRTSA-N 614.287 2.903 50 40 KFGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)c1 408768735 IQRWYQNYQRMRGF-DEDYPNTBSA-N 501.346 2.606 50 40 KFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1OC 408783684 OJNROEDYMSSPRH-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB COc1cc(Br)c(/C=N\NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)cc2Br)cc1OC 100936199 WYKJMDCXUBHUMM-NFXRTZMGSA-N 572.210 2.846 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409174523 NAXMZUCFDZMKQB-HBPDMVEESA-N 608.433 2.679 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1c(C)cccc1C 409256296 NFRDEVVLVUUSSF-AMVVHIIESA-N 532.553 2.825 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(OC)c1 408954443 ZIBMKQGZRRFADN-QHCPKHFHSA-N 635.493 2.806 50 40 KFGB COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Cl)c1OCC(=O)O 409085628 CGZJCVYYJXPVNJ-GZIVZEMBSA-N 517.707 2.979 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409156780 HAOUHNSVINWRGY-MZJWZYIUSA-N 504.971 2.667 50 40 KFGB CCOC(=O)CNC(=O)[C@@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 5707240 RRQJCRFCWPLMKD-NHCUHLMSSA-N 593.680 2.722 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408683064 HHSDZTWSJSEGGO-TUVASFSCSA-N 530.213 2.707 50 40 KFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)c(OC)c1 408784193 UIVLPMDSIABQIA-FYJGNVAPSA-N 531.372 2.615 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1OC 409269418 JDGLNJAEFYBGNV-OKCVXOCRSA-N 522.533 2.669 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1 103898757 VRBSPWFZUYSLMF-STBIYBPSSA-N 543.045 2.994 50 40 KFGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1OCC(=O)O 408913106 PLSMXHLCKKYVFE-ODCIPOBUSA-N 518.691 2.946 50 40 KFGB N#CC1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C(N)=O)[C@H]1c1c(Cl)cccc1Cl 2224294 CGOCXDVHOBAEPV-NXADEVLQSA-N 521.788 2.922 50 40 KFGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccccc2O)C(C)C)cc1 6190717 YTRAWZKLCQUWCJ-HSZRJFAPSA-N 504.543 2.869 50 40 KFGB COc1cc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc(OC)c1OC 8766070 DZYMBPDNKXBWGB-LICLKQGHSA-N 505.549 2.514 50 40 KFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 28213091 UXGWTKGJDLQXIR-JVWAILMASA-N 524.599 2.937 50 40 KFGB O=C(COc1ccccc1I)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 103845387 YXCAAXGSZUTVNC-DHRITJCHSA-N 546.365 2.634 50 40 KFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 408859219 QYRUCGYSGONGNI-NDZAJKAJSA-N 564.664 2.887 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC(=O)OC)cc1Br 408952507 WEQOHOUQKQALMB-RUZDIDTESA-N 649.520 2.895 50 40 KFGB C[C@@H](OC(=O)COCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000440 OUUAZMMZDUIKDV-HZPDHXFCSA-N 622.499 2.990 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 408537767 XCMUXXCUSHWOGV-SLSPDHCBSA-N 508.126 2.826 50 40 KFGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N3CCOCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409313569 CLTMPGYAFACEBL-ZWKOTPCHSA-N 528.414 2.722 50 40 KFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 28213470 BUBCRHQWAYWBRT-JVWAILMASA-N 524.599 2.937 50 40 KFGB COc1ccc(/C=C\C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 38167885 KDVDRFWWIVKBAT-MAHOEKLZSA-N 512.522 2.621 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408691297 ZGFINJVJPIKQAA-NDBASXRHSA-N 556.251 2.952 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408862473 ZJXNNQWQFKNKMV-CPUXBYDOSA-N 523.995 2.594 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409115754 HAEOJYNIMHJPHF-JFLMPSFJSA-N 557.581 2.765 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 2350241 FPIRECNRJXJKMP-CVKSISIWSA-N 524.555 2.697 50 40 KFGB COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)NCc3ccccc3)CC2=O)cc1 408603879 HIQLLDJRYAJVMC-FQEVSTJZSA-N 518.570 2.895 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408679604 CRYSFWUZIALEKO-VPZWPZHPSA-N 556.251 2.899 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408683864 IZQSBQPQYUSBFF-MVXJNQHVSA-N 542.224 2.645 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OCC)c2)c(OC)c1 408926423 XZCFITIBQOVWET-HHSRISMTSA-N 540.573 2.823 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1O 408943214 HGNYQHNJPSEIGX-NRFANRHFSA-N 502.980 2.931 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)c(OC)c1 408957792 VZQLDHIURDLVHM-UELCYLQASA-N 546.964 2.783 50 40 KFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)c1C 408842492 PRFSCDGZADMPSX-CUVDRZIWSA-N 554.694 2.826 50 40 KFGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 409381600 HKWVIYVBTZBQTF-XZOQPEGZSA-N 575.574 2.968 50 40 KFGB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 20287347 IGPSFPSVJPJQEC-MOSHPQCFSA-N 501.337 2.932 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cc(C)cc(C)c2)cc1 28212958 LPZPPLJUFNUGMW-RWPZCVJISA-N 508.600 2.822 50 40 KFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70699402 YWMSBTBFCOTHTB-RUJSLRRESA-N 592.598 2.729 50 40 KFGB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 138658191 JCFZSPKODCWLAM-KRWDZBQOSA-N 515.950 2.654 50 40 KFGB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408678048 BHAHEOBGSBYEDI-VMMLZTJMSA-N 570.234 2.537 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59646770 LGDPVKSMSKMSRT-AFUMVMLFSA-N 544.542 2.672 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408690312 UWSVSBCGNNBCTL-BQLFOJHWSA-N 572.250 2.735 50 40 KFGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(I)cc1 409027297 GCOZHOXTGBJWLP-XDHOZWIPSA-N 516.317 2.506 50 40 KFGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408689747 SNTVCNKMLHOMJK-MVXJNQHVSA-N 532.218 2.959 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]12 408690768 WPSDCHGFIWLSKB-NHRGSCSFSA-N 507.930 2.660 50 40 KFGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1O 408952300 JYJWQEVBPGQGCZ-KIQFVGOMSA-N 552.584 2.858 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cccc(Cl)c1 409159543 QZMHMSOWINBFKK-IBNQTYSGSA-N 537.798 2.865 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 408683874 NQXZWRFDZUAVMJ-HDLCADABSA-N 543.963 2.536 50 40 KFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(I)c(O)c1 408741737 NOMUPZUBXVDPHN-CGYLCNSDSA-N 587.193 2.539 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCC#N)c([N+](=O)[O-])c2)c(OC)c1 408952601 KSRHMWWNSRWOOV-KWZXLHROSA-N 645.423 2.988 50 40 KFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1C 409258476 UEWBZWUJFHQPDP-SDHJZUEUSA-N 531.407 2.829 50 40 KFGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)cc1 409375626 NEAYCCBMJFMIGL-XZOQPEGZSA-N 534.521 2.609 50 40 KFGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 4157299 XLVPOSFANWBCSX-ZMJVMEFTSA-N 578.051 2.953 50 40 KFGB NCCCC[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NN)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460462 MOMPTAGUZWFRFO-SXOMAYOGSA-N 591.665 2.883 50 40 KFGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)SC1=S)NNC(=O)c1ccccc1Cl 150454395 XSEVHRAFRQKDFO-FMQUCBEESA-N 711.656 2.928 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408680678 DQCKPMHJQWMUCJ-BDXSIMOUSA-N 602.276 2.903 50 40 KFGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 97976947 DUBCNCYBKCNSPB-QGYQQZFISA-N 534.270 2.999 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 103902086 VZGGOHOQDTUIMN-CGKHLXHRSA-N 568.652 2.876 50 40 KFGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408684638 KAFPGIGOTDMYFE-JXYJOFSCSA-N 564.809 2.928 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408686359 MXZHVPDJMBZZQA-XRWATXQWSA-N 518.191 2.705 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408679018 CAOBJEOJWXGASN-YVSFHVDLSA-N 588.249 2.657 50 40 KFGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1I 409237958 YFRDBAYPBOXNNL-WTKPLQERSA-N 523.068 2.562 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409258795 VJYIVLSBTBCFPO-ZAKSKNOPSA-N 520.945 2.641 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccco2)=C(C#N)[C@@H]1c1cccc(Br)c1 409310848 WYQONQPVSNVEEY-ZWKOTPCHSA-N 504.362 2.829 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1cc(C(F)(F)F)ccc1Cl 59882661 WCFDGENEILNSBC-NPAZAKLCSA-N 591.008 2.949 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c(OC)c1 100332387 XIZRCTBADCENIO-MTDXEUNCSA-N 583.623 2.794 50 40 KFGB Cc1cccc(C)c1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408682026 FWOTXRCLVLIMBK-DJQNJWNESA-N 556.251 2.953 50 40 KFGB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408688271 QIRICLNHGFXUTF-PYHGIMPFSA-N 530.213 2.653 50 40 KFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408860336 YZJRKSIWEBPXGS-FIMPJCGCSA-N 580.663 2.715 50 40 KFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 409258194 UDGQSNXMCUSEIV-OKCVXOCRSA-N 508.962 2.810 50 40 KFGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 100147079 MGDKVLWGJVHDFC-WUKQQSQZSA-N 564.664 2.702 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409112706 GFLBGAMAIPMBBW-RWPZCVJISA-N 559.572 2.740 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20213990 SCTZLKOQALEXLE-WGOQTCKBSA-N 511.556 2.947 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 59443735 ZVDAWFTWGVFVHW-JVWAILMASA-N 522.583 2.757 50 40 KFGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H]1CCCO1 101143040 BFTWTXIBDRVMQK-YVVITCHPSA-N 547.637 2.762 50 40 KFGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccco1 104207443 NOKRDKLOXOSPBX-QBYFQKRUSA-N 536.386 2.761 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 408958629 ZNRXTEHMAUUNIZ-FXDWWMIYSA-N 545.936 2.977 50 40 KFGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 409256511 OXKQVOWZFKRKHG-XIMCHAMWSA-N 517.380 2.520 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(OC)ccc1OC 1529547437 LBVPAKYSWAQNCE-BZHYDHQASA-N 512.588 2.589 50 40 KFGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 28212896 JIDCBKAUQXHKNR-VULFUBBASA-N 500.964 2.550 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 59443680 XGHRQKNGPMFXGX-MFKUBSTISA-N 509.544 2.894 50 40 KFGB C[C@@H](c1ccccc1)n1c(N/N=C2/C(=O)N(CCBr)c3ccccc32)nc2c1c(=O)[nH]c(=O)n2C 97968823 MOCCNCJAFDNWIV-ABBNIBMJSA-N 536.390 2.590 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1C 408690616 WBKHRKZMDABJAI-YWIVVUNNSA-N 556.251 2.952 50 40 KFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1Br 408784809 VKBTZQOMQZIYJN-UUYOSTAYSA-N 505.350 2.609 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC 409158928 YMWRAGOGXBCFLN-KBVAKVRCSA-N 548.596 2.847 50 40 KFGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F 8691559 INXKFUXJUKWNRA-HOTGVXAUSA-N 508.799 2.588 50 40 KFGB COc1c(O)ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1[N+](=O)[O-] 15135142 AKTFXCBEENLAFE-GVSPRCSJSA-N 504.455 2.959 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1 408615026 KZZRUAVGFKFKFJ-RPPGKUMJSA-N 529.347 2.835 50 40 KFGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408682822 HBHWDSZCSIOADF-BQLFOJHWSA-N 600.260 2.513 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC#N)c(OC)c2)c(OC)c1 408955493 OTICTHVVIACMLB-COWWJRFYSA-N 677.452 2.931 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2O)c(OC)c1 408957444 UNGFVLYEFBTFAZ-GMHBOUQGSA-N 638.415 2.734 50 40 KFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccccc1Cl 409159772 XIHHBEPZNZFMCK-OUPCILMJSA-N 537.798 2.865 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409247805 BLSOZFNRJTUSJV-LUOAPIJWSA-N 502.886 2.865 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857296 WSFBWYHYIAXEFJ-AFUMVMLFSA-N 542.526 2.656 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 104680098 KZRYYHWUALSTIY-LPSZMKJGSA-N 635.743 2.703 50 40 KFGB O=C1[C@H]2[C@H](C(=O)N1CCN1C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 256028156 WOFYQUJNULCFLN-GTDUKCNHSA-N 672.006 2.542 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(OC)c1 408922073 DVQVJJMLNBDTMQ-ALUCDORFSA-N 561.389 2.883 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1C 409252585 UCAOANNCPCSKOW-IPPBACCNSA-N 502.527 2.816 50 40 KFGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100047062 HQKLGVHCMJLYHU-AMVVHIIESA-N 539.516 2.959 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 105583484 YWHBSEMNXKWDMX-JVWAILMASA-N 541.582 2.601 50 40 KFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OCC(N)=O)c(OCC)c1)c1ccccc1 408998606 BMFBBTGNFPEGQV-NPSPNJCMSA-N 582.395 2.882 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC 409368472 XIVMARMCSSZCNL-FOKLQQMPSA-N 539.326 2.964 50 40 KFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c1C#N 100180223 DKHYXHCPOGHZMN-QPJQQBGISA-N 606.158 2.852 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Br)o1 408949402 QVTUYCLLORHOQZ-LJQANCHMSA-N 521.393 2.927 50 40 KFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 58881987 JJFNYZLBXWFXNN-LQKURTRISA-N 518.526 2.978 50 40 KFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 102998978 PGFVSVQITPWZNQ-UHFFFAOYSA-N 591.623 2.948 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408805172 JDNGAFFIYGXMNH-RAWMCFOBSA-N 547.311 2.838 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCC 408943230 HHIAGAHMAHUYPP-HSZRJFAPSA-N 526.615 2.979 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(OC)c1 408954439 ZIBMKQGZRRFADN-HSZRJFAPSA-N 635.493 2.806 50 40 KFGB COc1cc(/C=N/NC(N)=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 1105190 CYYYKHZHOJULBJ-YPXUMCKCSA-N 546.371 2.592 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 13785154 BNUABCKSURGDIW-YJGSSNSBSA-N 515.526 2.570 50 40 KFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 28213109 MCVUPGVXPUPSCR-OGLMXYFKSA-N 508.600 2.607 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408775520 HUQICNOUMFCZTK-AFUMVMLFSA-N 526.527 2.956 50 40 KFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408859732 QAGMENVWOCZHGG-AJBULDERSA-N 594.690 2.977 50 40 KFGB COC(=O)[C@H](/C(=N/NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC)c1nc2ccc(Cl)cc2[nH]c1=O 5724019 ZDYDZLAMGKYVRL-VQTQVJGFSA-N 548.943 2.661 50 40 KFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409316611 ZQWRUNMZNNUEOO-ZWKOTPCHSA-N 508.394 2.551 50 40 KFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408683343 HXFPTLINKCGFHM-JXYJOFSCSA-N 564.809 2.928 50 40 KFGB Cc1ccc(S(=O)(=O)N(CC(=O)NNC2=c3cc(Br)ccc3=NC2=O)c2ccc(Cl)cc2C)cc1 59857447 OHHCVJUIVQEELJ-UHFFFAOYSA-N 575.872 2.504 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cccc(Br)c1 408830690 SNYXEMUJMGRKOQ-LGJNPRDNSA-N 563.430 2.654 50 40 KFGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N3CCOCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409313565 CLTMPGYAFACEBL-QZTJIDSGSA-N 528.414 2.722 50 40 KFGB COc1ccc(OC)c(NC(=O)CCC/C(CC(=O)c2ccc(O)c(OC)c2)=N/NC(=O)C[N+](C)(C)C)c1 17194853 OODYGKFUHFEBLN-CEUNXORHSA-O 529.614 2.978 50 40 KFGB CCc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408681122 FCXUHJFFQTYCFI-JNYDFHNISA-N 556.251 2.899 50 40 KFGB CN(CC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 102993757 JGHPUKBUQFBGNF-NRFANRHFSA-N 574.084 2.692 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](CS)C(=O)O 103517842 WOSYRGZUEPPFDW-MISICIAASA-N 600.731 2.548 50 40 KFGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408729245 BLTXRAHNIKZJNK-KEBDBYFISA-N 536.311 2.996 50 40 KFGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 103033531 NBFCMXLXIVDARA-NRFANRHFSA-N 558.012 2.697 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 408611685 RPOCFDHFEPVQTC-PGGKNCGUSA-N 511.760 2.633 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 409027289 FUTJEGOAHBGPIT-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(=O)OC)cc3)[C@H](C(=O)OC)C(=O)N2)cc1 409317706 RVIXAUIWARSWCV-VXKWHMMOSA-N 523.567 2.982 50 40 KFGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@](O)(CO)[C@H]2O[Si](C(C)C)(C(C)C)O1 263592608 AHROWOLVZJDNSE-UTYWTXRGSA-N 516.740 2.526 50 40 KFGB CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 408671171 YRLLTWLJADKCOQ-UHFFFAOYSA-N 503.939 2.876 50 40 KFGB C[C@H](NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1 408688353 QPPWUVZPXNDZIJ-HBNJZJSWSA-N 556.251 2.573 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408772088 AQMOLKPCZWYQAG-WPWMEQJKSA-N 548.581 2.738 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccccc1 409259328 YTZLSEGMYLVJDB-WFMQBCDOSA-N 502.955 2.502 50 40 KFGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@](O)(CO)[C@H]2O[Si](C(C)C)(C(C)C)O1 263592609 AHROWOLVZJDNSE-WCCBULMPSA-N 516.740 2.526 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1[N+](=O)[O-] 408688602 RBBFWYCMUSRXHV-VNUXUXBQSA-N 587.221 2.553 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408690200 UFWKJQPWQPVUPC-JNYDFHNISA-N 556.251 2.953 50 40 KFGB COc1cccc(OCCOc2c(Br)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2OC)c1 408968631 AKDOAZPGBYAYBQ-WYMPLXKRSA-N 536.408 3.051 50 40 KFGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccncc2)cc1 6924838 OXBIHDZYNHWDJC-AREMUKBSSA-N 553.575 2.850 50 40 KFGB COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(\C#N)C(=O)NCc3ccco3)CC2)cc1 9375607 GVCXHSBSVCLJCS-LVZFUZTISA-N 510.554 2.846 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(F)c1 103864882 KZMQGDQXHFDMQJ-MSXFZWOLSA-N 527.334 2.800 50 40 KFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccccc1 28213435 ZCDDWUQRQPKCQX-UPHQNKNSSA-N 526.590 2.998 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(OC)c1 408957790 VZEUGRNZFODVAY-GDWXBDPWSA-N 561.935 2.683 50 40 KFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1C(=O)O 409125060 BUNBWCUPDRWIFG-VULFUBBASA-N 513.503 2.641 50 40 KFGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSC1=NCCS1 2372604 XIDSDPIHWSJZJY-GEVRCRHISA-N 528.407 2.648 50 40 KFGB CCc1ccc(O[C@H]2O[C@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 12659782 KRZYBMJVFWZNJJ-OBKDMQGPSA-N 520.316 2.583 50 40 KFGB biogenic CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 408612606 WCESLVHFSALQKT-LGJNPRDNSA-N 535.395 2.850 50 40 KFGB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 408690767 WPSDCHGFIWLSKB-MQYXYMALSA-N 507.930 2.660 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408871496 ZQPLYBAXZORCTM-OCSSWDANSA-N 547.593 2.715 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 408877871 VDHZSPLPGCAUIU-WGOQTCKBSA-N 511.556 2.593 50 40 KFGB CC(C)(C)OC(=O)NNS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 17063381 DMDLJAQBMRPJIC-HXUWFJFHSA-N 521.592 2.774 50 40 KFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1O 101665868 ASFCSHVXQQVEQR-ODCIPOBUSA-N 519.268 2.988 50 40 KFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)NC2CCCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408865456 CNSAHFWIVVXDIY-ZRGSRPPYSA-N 508.362 2.740 50 40 KFGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1)c1ccccc1 408867017 IKURNAHEGYLQIB-VUTHCHCSSA-N 550.637 2.654 50 40 KFGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408877186 QOGZXDBNNZVVQL-IONSAMEVSA-N 550.637 2.706 50 40 KFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 409185048 QPWCWCLMYLXICL-JVWAILMASA-N 553.597 2.844 50 40 KFGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408837231 ANEWGTNMUMHVGK-RDRPBHBLSA-N 571.055 2.923 50 40 KFGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409387142 NUTRYGDOTLNOSB-VXKWHMMOSA-N 570.938 2.654 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)Cc2ccccc2)cc1OC 9056559 WZZVPEJCGJQSML-CVKSISIWSA-N 513.572 2.759 50 40 KFGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(OC)cc4s3)cc2)CC1 9381815 HQHPYHQWTHEDTM-UHFFFAOYSA-N 519.605 2.525 50 40 KFGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 17595953 FRIJBJGMGOITIO-FIHFPDORSA-N 552.657 2.895 50 40 KFGB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)NNC(=O)COc2ccc(Br)cc2)c1Cl 103127369 VHKYJXIJGJIUKC-UHFFFAOYSA-N 526.558 2.770 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)c(OCC)c1 1529548112 XXQKSRWEQBVUEH-MYQKJCMASA-N 551.625 2.873 50 40 KFGB C#CCOc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 1529548768 NQQZDGSFJNRTNI-CGNQLUSGSA-N 536.610 2.592 50 40 KFGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](Cc1ccccc1)NC=O 4707722 IGMJUMLGHIBRFY-GOTSBHOMSA-N 508.446 2.918 50 40 KFGB CCOc1cc(/C=N\NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc(I)c1O 97962875 KVRNRJMDGGGLDJ-NFXRTZMGSA-N 666.210 2.705 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409265743 OKQGRTVHWBGOOR-OPEKNORGSA-N 517.380 2.821 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408675756 CBYJPAODJQTHIW-BZDUYGCESA-N 614.287 2.903 50 40 KFGB O=C(COc1ccc(Br)cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408740625 HNTPATHEKNUETO-XYJSHWMKSA-N 509.769 2.647 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1F 409164188 DTHYHHOLFYRXIY-XODNFHPESA-N 567.412 2.996 50 40 KFGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)O 409315417 VIIIAYHMMYDQLZ-YVNNLAQVSA-N 528.299 2.934 50 40 KFGB C[C@H](O)[C@H]1C(=O)N2C(C(=O)Oc3ccc([N+](=O)[O-])cc3)=C(SCCN/C=N/c3ccc([N+](=O)[O-])cc3)C[C@H]12 100035324 YDWAQCQEJLIZEJ-UQIDSAAFSA-N 541.542 2.914 50 40 KFGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1 408690578 VZMXDXKLYQCRBI-OOLZNYFQSA-N 562.642 2.990 50 40 KFGB COCCCNC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O 408803906 UPVISGOFLAJJOY-BJMVGYQFSA-N 512.085 2.661 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1Cl 408857472 GYYWDSCXVWZXQY-STBIYBPSSA-N 543.045 2.994 50 40 KFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409004566 XOUCKRFCNBJTPS-ZFJBLLOBSA-N 568.349 2.832 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)N1CCOCC1 409151035 GAZSJUVOTZZCBP-OKCVXOCRSA-N 636.487 2.817 50 40 KFGB NCCCC[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460456 MOMPTAGUZWFRFO-RRPNLBNLSA-N 591.665 2.883 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408691252 ZAFGEBWXGHWDHZ-PGZATIJXSA-N 542.224 2.643 50 40 KFGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2)ccc1Br 409259234 XMLXIBXBUVUPOK-MTYDYXEWSA-N 517.380 2.520 50 40 KFGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O 409145418 QBSAFGMSTTXUHG-NDZAJKAJSA-N 564.664 2.963 50 40 KFGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 409183965 GZZOEEKPCMMOPI-UXHLAJHPSA-N 536.654 2.957 50 40 KFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1C 409259989 IUAUYVIZWPALAE-OCVIWRJKSA-N 531.407 2.829 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC)c(OCC)c1 1529545655 AARGDFDMKFGIPF-WZAVBVGXSA-N 584.651 2.522 50 40 KFGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100375509 VUIYTJCSPMJKRK-NTFVMDSBSA-N 547.033 2.927 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408676794 AGCILAOJVFCBOD-BZDUYGCESA-N 614.287 2.903 50 40 KFGB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408691299 ZGFINJVJPIKQAA-QLXJBWIVSA-N 556.251 2.952 50 40 KFGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 409152007 JBWSDDAAXQKPEZ-BRJLIKDPSA-N 505.369 2.698 50 40 KFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1)S(=O)(=O)c1ccccc1 409185398 YIDBIUMGVRWUMS-IONSAMEVSA-N 550.637 2.950 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1Cl 408873412 QSIYANPTEIMTGW-LQKURTRISA-N 529.018 2.952 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)c(OC)c1 408957462 UPMJNAKHMXEMKM-OBOCUERJSA-N 619.425 2.641 50 40 KFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 409028233 JWZFMFFEHNHKOO-RDRPBHBLSA-N 522.627 2.861 50 40 KFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 59246792 ZVAFHHYVOXKMFF-MSXFZWOLSA-N 506.353 2.517 50 40 KFGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)cc1 408720907 ARWDSSXLNBGMSQ-VHUXLRGGSA-N 574.571 2.870 50 40 KFGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)cc1 409381598 HKWVIYVBTZBQTF-GOTSBHOMSA-N 575.574 2.968 50 40 KFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 8399002 LVHMKSBDQGNFAR-UHFFFAOYSA-N 511.316 2.878 50 40 KFGB COc1ccc(C(=O)NN2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1OC 9591410 IDDXCEUSFMUQIF-APWZRJJASA-N 506.914 2.760 50 40 KFGB CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 13130811 OEMSGXWKGJAAFX-UHFFFAOYSA-N 515.979 2.785 50 40 KFGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc(OC)c1OC 408537789 XGORGMWAMDREQB-XLBLDCAYSA-N 573.562 2.888 50 40 KFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 408607000 BJIHYGXEXOVWLZ-OPEKNORGSA-N 523.771 2.881 50 40 KFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408675189 AJIZRRJFACKAFR-IXFQNSDBSA-N 600.260 2.513 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cn(CC#N)c3ccccc23)c(OC)c1 408958665 ZVCVMVMIMUGPNF-UZXNNKINSA-N 544.568 2.894 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 8442996 CNGPGOCQYYAHMA-CVKSISIWSA-N 558.569 2.975 50 40 KFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 102922058 PDZOEUBEKNGKQD-HSZRJFAPSA-N 524.574 2.521 50 40 KFGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408831663 RQMOQJCBGDDPIV-LMUZBFEMSA-N 660.753 2.504 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(Cl)c1Cl 408927069 XVWPLXTXEPEODD-FSJBWODESA-N 530.390 2.655 50 40 KFGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(I)cc1OC 408950324 GVZJXCRTNBOQJL-OFEZVJGSSA-N 724.505 2.970 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1CSc1nc2ccccc2s1 98045813 LITLEZMTPMPUSA-HCGXMYGOSA-N 566.541 2.535 50 40 KFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(Br)cc1 100858414 PZVGWBWOQNXZGM-XKZIYDEJSA-N 544.269 2.668 50 40 KFGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 102658271 MAIRMMVPQMFZTA-AJNSVLDYSA-N 526.225 2.878 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc2c(cc1Cl)OCO2 408947523 NWYIFPHZESJOSX-JOCHJYFZSA-N 530.990 2.954 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C 409267977 XKZJITUHSIKVTN-FJEPWZHXSA-N 532.553 2.906 50 40 KFGB CC1CCN(c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)cc2[N+](=O)[O-])CC1 6077382 LFHCDCIBMPCRCK-LGJNPRDNSA-N 503.523 2.963 50 40 KFGB O=C(CCCC(=O)N/N=C/c1ccc(I)o1)N/N=C/c1ccc(I)o1 97966262 SSEWRQHRBXIFDM-GCBPPVMSSA-N 568.109 2.853 50 40 KFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100280625 IGSLOMCKDYXCQP-JVWAILMASA-N 541.582 2.845 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)c1 408685012 KWQHCIHIQGIUMZ-KBXIAJHMSA-N 530.213 2.707 50 40 KFGB CCOc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408686738 NRVSHJAAIIRUCV-WGUMKBCVSA-N 572.250 2.733 50 40 KFGB C[C@H](NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1 408691157 YMIIJMLOTZENCE-HXLBEUJKSA-N 556.251 2.575 50 40 KFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409170421 VODJEZARWHPBEY-HURLIOHXSA-N 566.396 2.991 50 40 KFGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 2632133 CLNPGGNUMPSHFB-UHFFFAOYSA-N 542.639 2.737 50 40 KFGB Cn1cc(Cl)c(C(=O)N/N=C/c2cc(I)cc(I)c2O)n1 8395941 XKKQPJPKALJRFX-AYSLTRBKSA-N 530.491 2.752 50 40 KFGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 150387526 MNDRUMGFNGAUDC-LWIIUEQTSA-N 730.554 2.525 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(F)cc2)cc1OC 409120760 SRVDJJYAOLYGSH-UHFFFAOYSA-N 512.519 2.511 50 40 KFGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409378385 PAFCOMONQMBSAN-JWQCQUIFSA-N 621.599 2.595 50 40 KFGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 97965518 RJGIWEJZNHGKQY-IMOCEARWSA-N 556.575 2.905 50 40 KFGB Cc1c(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408785273 VRDSAIULMCESOQ-UHFFFAOYSA-N 623.489 2.915 50 40 KFGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1254321 PDIMRQMJAAVBIV-DBKQXNKTSA-N 504.930 2.663 50 40 KFGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(NC(=O)CC)cc3)cc2)cc1 97940255 PEXFGQQOHSUCNG-UHFFFAOYSA-N 544.568 2.533 50 40 KFGB CCCOc1c(I)cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1OC 409007579 PIROCGYWTRAINO-OPEKNORGSA-N 552.369 2.727 50 40 KFGB Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 35153558 FXKJPDGMDMWKDS-ODLFYWEKSA-N 511.556 2.987 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c(OC)c1 58881901 KONHRDWEEPEALZ-JFLMPSFJSA-N 506.515 2.819 50 40 KFGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 256028155 WOFYQUJNULCFLN-AOXRJVLFSA-N 672.006 2.542 50 40 KFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccc(Br)cc1 409151231 HEWCTBLQFAUMPX-XODNFHPESA-N 553.369 2.962 50 40 KFGB O=C(CNC1CCCCC1)N/N=C/c1cc(I)c(O)c(I)c1 409384747 FSRSQUFWUBSCQD-UFWORHAWSA-N 527.144 2.974 50 40 KFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 58873746 STISGPFFUKWFRN-OKCVXOCRSA-N 522.533 2.669 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 408825852 AXGQPPZNEHDVPG-TYBAKLTESA-N 580.663 2.715 50 40 KFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409154265 NFYJHCIYHOKAPG-LIMNOBDPSA-N 502.152 2.970 50 40 KFGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c(Br)c(Br)c1O 16134337 PMNOIWKFIWWIDF-CPGGANHOSA-N 511.170 2.906 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)c(OCC)c1 1529548113 XXQKSRWEQBVUEH-UXPWFEKTSA-N 551.625 2.873 50 40 KFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408905421 ADVHWGNWZAYMGJ-KZKMUKRCSA-N 569.352 2.571 50 40 KFGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C)ccc1OC(=O)c1ccc(Cl)cc1 8738545 SOVDJMLSZVYQCL-OPEKNORGSA-N 510.898 2.576 50 40 KFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 100284291 BRFABGRXUYNUAR-JFLMPSFJSA-N 586.579 2.509 50 40 KFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408773398 QWEIHYHKEAEQEO-FMCGGJTJSA-N 535.376 2.618 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1O 408873602 SWMJUHHDEFVLBM-CNPYVQQSSA-N 563.801 2.962 50 40 KFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409260004 JAIVOMQMWMYYGG-BRJLIKDPSA-N 517.380 2.902 50 40 KFGB CN1CCN(CN2C(=O)/C(=N/NC(=O)c3ccc(Br)cc3)c3cc(Br)ccc32)CC1 19361698 MGWAYOAOMHFEHX-LYBHJNIJSA-N 535.240 2.897 50 40 KFGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](C)C(=O)O 102012990 NXGNMVVABGFORM-DWCLLXPLSA-N 568.664 2.638 50 40 KFGB O=C(COc1cccc2cccnc12)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408744050 YJYQEIBOQQKSJP-FVWOBLMASA-N 526.372 2.542 50 40 KFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408772811 IBVZXCKCOYZIIX-CVKSISIWSA-N 526.571 2.713 50 40 KFGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1 408689126 RKAWCAZYUUDIPV-SYQHCUMBSA-N 581.055 2.853 50 40 KFGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1OCC 408997809 IPKPLFRPGJJRNT-MKCSSFGJSA-N 776.581 2.802 50 40 KFGB C/C(=N\NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OCC(=O)N2CCCC2)cc1 12640785 NIHYASVCGIENIP-SPXZMIHUSA-N 526.659 2.937 50 40 KFGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 103028785 OMHAIGRYNXJVIP-UHFFFAOYSA-N 619.788 2.585 50 40 KFGB CCOC(=O)CNC(=O)[C@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 150399059 JGNDXONLUYUXKG-ZWEKWIFMSA-N 706.840 2.951 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2OC)cc1 409028626 QPLDOIBNIPYROI-STBIYBPSSA-N 568.652 2.953 50 40 KFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2)cc1 59885359 CKFHEQIQMHEPPF-TWKHWXDSSA-N 580.663 2.669 50 40 KFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408675862 CBYJPAODJQTHIW-YUEHCAIXSA-N 614.287 2.903 50 40 KFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 409005159 ZMJIGJHBABWELS-LVAXJFRSSA-N 549.024 2.508 50 40 KFGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 34873152 LXXRQIOTBYGYGF-PGKGOOGGSA-N 519.664 2.815 50 40 KFGB Cc1ccc(S(=O)(=O)N(CCN(CC(=O)Cl)S(=O)(=O)c2ccc(C)cc2)CC(=O)Cl)cc1 68604357 GTEWUQWCUDBEFN-UHFFFAOYSA-N 521.444 2.516 50 40 KFGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 102979265 OAZVAFGQWCBJIP-ABBHQSEISA-N 527.511 2.970 50 40 KFGB CCc1ccc(C(=O)N/N=C(/C)[C@@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387438 XGTQLDPXWUNPCN-FLGAGDQPSA-N 673.719 2.808 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408685006 KVGWXGWMQIWYJJ-NDBYEHHHSA-N 566.630 2.752 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408690988 XPAIYXULYNXPLI-JGOXFPKISA-N 542.224 2.643 50 40 KFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 408825849 AXGQPPZNEHDVPG-IAEWTUJKSA-N 580.663 2.715 50 40 KFGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1O 408873603 SWMJUHHDEFVLBM-RSFOSLOZSA-N 563.801 2.962 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC#N)c(OCC)c1 408953735 XXQKSRWEQBVUEH-VWLOTQADSA-N 551.625 2.873 50 40 KFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2c(c1)OCO2 408994791 JEDVPTKYQZDIPP-ROTLSHHCSA-N 520.380 2.938 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)ccc1O 1529544454 HGNYQHNJPSEIGX-YIQTUUEOSA-N 502.980 2.931 50 40 KFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c1C#N 33353263 HMCYIQMITDSTNX-QPJQQBGISA-N 606.158 2.852 50 40 KFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 59503473 HXDAWUAESBQKIV-ZVHZXABRSA-N 503.533 2.660 50 40 KFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 100070850 KZRYYHWUALSTIY-RQUFEXHESA-N 635.743 2.703 50 40 KFGB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC#N)cc1Br 103134415 BYYVDQIKTYFMQK-BBATYDOGSA-N 562.851 2.885 50 40 KFGB CCOc1cc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCCBr 408974082 WYLDTKWISOAZOZ-KOEQRZSOSA-N 535.443 2.768 50 40 KFGB Cc1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408690990 XPAIYXULYNXPLI-SJZNNMJCSA-N 542.224 2.643 50 40 KFGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408691241 YZFXDHVXQJWJMY-YAMWFFNZSA-N 562.642 2.988 50 40 KFGB COc1cc(C(=O)OCC(=O)/C(C#N)=C(/C)N)ccc1OCC(=O)Nc1ccc(Br)cc1 25391778 FHDVPGAHSAWDSA-LGMDPLHJSA-N 502.321 2.957 50 40 KFGB COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(Cc4ccccc4)C(=O)C(C#N)=C3C)cc2)nc(OC)n1 100929851 XRNKMPQQOFGXBZ-JCMHNJIXSA-N 560.592 2.999 50 40 KFGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 408679203 CJIDTLZDZIPTMT-JSNMRZPZSA-N 542.386 2.993 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(OC)c1 408924022 MVKBDFAFLYHEEG-JZSFTFOTSA-N 589.399 2.907 50 40 KFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c1CN1CCCCC1 2358083 NYSHZXODIPASKZ-CCVNUDIWSA-N 519.541 2.700 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408675480 AWJFYGGJKVWYJL-MTJCSHQQSA-N 578.641 2.608 50 40 KFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1 408864636 XSHPOKLXDCZPQH-AJBULDERSA-N 594.690 2.977 50 40 KFGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409271964 WVECNRQOJKJLDL-MTDXEUNCSA-N 526.590 2.591 50 40 KFGB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408687168 OJPJNJHQVVTBLL-FPCVCCKLSA-N 530.213 2.707 50 40 KFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2)c1 409153609 LWXYQEUSPRPCSQ-OCSSWDANSA-N 534.569 2.539 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 1529548304 CDPIJVXTQXFCQF-LBWPQLDNSA-N 540.602 2.546 50 40 KFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408611314 QPDPPDWCYNTFCG-OPEKNORGSA-N 505.369 2.678 50 40 KFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408661804 HWMCHWMBWDBCBA-UHFFFAOYSA-N 503.939 2.876 50 40 KFGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)cc1OCC 409302884 LHXLSHFNDLLKFJ-MYKKPKGFSA-N 541.342 2.725 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 103898132 HUMDGOURMHKFIE-LQKURTRISA-N 555.609 2.910 50 40 KFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1cccc(Br)c1 408744443 ZVGFZCGEPMIULI-SLSPDHCBSA-N 524.194 2.991 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Br)cc1 408864490 WGLVVUJFWSWYKW-DNTJNYDQSA-N 533.198 2.857 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(OC)c2O)c(OC)c1 408924067 NJBQWIZUWAAHHC-UELCYLQASA-N 591.415 2.892 50 40 KFGB CSCC[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 70692221 AZFUPQMDKQZSAV-WNYUMUMXSA-N 515.625 2.840 50 40 KFGB COc1cc(C(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1I 408746211 CGRKIYXDXPYDFI-VEKQOBIDSA-N 550.378 2.696 50 40 KFGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548039 WHEQWGXHAPLCDX-FDBZCLHMSA-N 536.610 2.592 50 40 KFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770115 PZMPXCHYZLZUIT-IFMALSPDSA-N 534.594 2.530 50 40 KFGB O=C(NNc1ccccc1)[C@@H](CCCCNS(=O)(=O)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 5699530 PCDWHALDJAZSLG-RUZDIDTESA-N 544.699 2.908 50 40 KFGB O=C(COc1ccc(Br)cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408741431 LXNAOQBIRVZQCR-XYJSHWMKSA-N 554.220 2.757 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1OCC 10001241 TZURKFNLMVXBSM-XGVLDKRDSA-N 513.547 2.661 50 40 KFGB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccccc4)cc1)N(C)CC3)OCO2 20111493 VQVHVSZZHQATDA-JSPCPOQUSA-N 511.542 2.741 50 40 KFGB biogenic O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccc1Br 408740811 IFCCEPIKMCWMQK-FCQRQVBFSA-N 524.194 2.991 50 40 KFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(OC)c1 408922773 HAMZLVKGVBKQOG-NBVBKBLUSA-N 720.258 2.940 50 40 KFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1OC 409142536 AHUVDXBHMAXTGF-MFKUBSTISA-N 528.543 2.966 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529547822 PLXZJCCVTIOCQL-RMTFRRHQSA-N 598.678 2.912 50 40 KFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCC 1529548477 HHIAGAHMAHUYPP-YZYFAYFQSA-N 526.615 2.979 50 40 KFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 408862948 JMIZBCRDVXMCRY-NHPPUKNOSA-N 691.788 2.927 50 40 KFGB CCOC(=O)COc1cc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1OC 409195016 OMCCYWUSWDYACW-KALUYTGESA-N 549.378 2.650 50 40 KFGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 6073823 LCKJOBPLFKAIFK-CVKSISIWSA-N 510.572 2.700 50 40 KFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 408603239 FYJGXRRJVPEBHR-KBKYJPHKSA-N 539.814 2.950 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 20209429 VXTMUJSQPYXRIF-MFKUBSTISA-N 507.012 2.648 50 40 KFGB COc1cc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 98044963 KXNGDQNIZWXBAE-ATIYNZHBSA-N 538.564 2.621 50 40 KFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409135644 QTDMSMBCGSDJDN-JVWAILMASA-N 541.582 2.601 50 40 KFGB CCOc1cc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)c(OCC)c2)C=3C#N)ccc1OC 2305491 OGPSPRBWFWXIBX-VPCXOLIJSA-N 530.606 2.676 50 40 KFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 408849834 ZSDIEWUUVOWWKW-WNFNFYEPSA-N 538.022 2.984 50 40 KFGB COC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409220966 IORHQUSJFROVNU-YVNNLAQVSA-N 500.264 2.684 50 40 KFGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 409381100 DYTGNHBVJZUNHU-ZEQRLZLVSA-N 585.525 2.829 50 40 KFGB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 139086867 RHDZZGZMQAQOGP-IBGZPJMESA-N 503.511 2.845 50 40 KFGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408691253 ZAFGEBWXGHWDHZ-PVRLWHMFSA-N 542.224 2.643 50 40 KFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)CC1 408995913 FRLLARFMDNCKEX-VUTHCHCSSA-N 515.570 2.512 50 40 KFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408681581 FOZCCSZBUAMIFT-AYCMENBISA-N 592.668 2.998 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1cc(Cl)cc(Cl)c1 408876569 MINZVOBSWJRMIU-OAHNOQMOSA-N 557.456 2.584 50 40 KFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)c(Cl)c1 59883383 IQJYPLXBZWQTNU-SDHJZUEUSA-N 557.456 2.584 50 40 KFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)cc1OCC 409317590 QYUMUTSQXSSTTN-ROTLSHHCSA-N 553.353 2.891 50 40 KFGB COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 4178361 DFSICQVPFWZDFN-AXXSPHBISA-N 543.208 2.589 50 40 KFGB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4647198 ABJBJWZQYIERLF-HXUWFJFHSA-N 518.592 2.904 50 40 KFGB COc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCC(=O)N1CCOCC1 409009474 AHTLTQWBAOKUQL-LQNQUEJISA-N 528.565 2.551 50 40 KFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1)c1ccc(Br)cc1 12362417 ABILJWYPPYLYFZ-YDZHTSKRSA-N 502.377 2.525 50 40 KFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(C)ccc1C 409264785 QGGJEMRDYXXNMQ-AMVVHIIESA-N 532.553 2.825 50 40 KFGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408778710 XBSNDUYPZAESFP-SDGJFRJFSA-N 561.085 2.944 50 40 KFGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409258189 RWECRECCDGBSCU-OCVIWRJKSA-N 531.407 2.829 50 40 KFGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccccc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409378415 OYQGJEODUKMOQT-FCHUYYIVSA-N 504.495 2.600 50 40 KFGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584657 PQQIEBOGSISPAC-OINMWHHXSA-N 591.509 2.663 50 40 KFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)c1 408685430 QQVXMIGVGMUOQC-VNUXUXBQSA-N 542.224 2.563 50 40 KFGB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 408688262 QIHXVDNRJOTTHD-JSNMRZPZSA-N 542.386 2.993 50 40 KFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC(=O)O)cc2Br)c(OC)c1 408952334 KBVPZBJCBDDURA-LVEWPXBCSA-N 649.451 2.650 50 40 KFGB